Microgravity Testing of a Surface Sampling System for Sample Return from Small Solar System Bodies

NASA Technical Reports Server (NTRS)

Franzen, M. A.; Preble, J.; Schoenoff, M.; Halona, K.; Long, T. E.; Park, T.; Sears, D. W. G.

2004-01-01

The return of samples from solar system bodies is becoming an essential element of solar system exploration. The recent National Research Council Solar System Exploration Decadal Survey identified six sample return missions as high priority missions: South-Aitken Basin Sample Return, Comet Surface Sample Return, Comet Surface Sample Return-sample from selected surface sites, Asteroid Lander/Rover/Sample Return, Comet Nucleus Sample Return-cold samples from depth, and Mars Sample Return [1] and the NASA Roadmap also includes sample return missions [2] . Sample collection methods that have been flown on robotic spacecraft to date return subgram quantities, but many scientific issues (like bulk composition, particle size distributions, petrology, chronology) require tens to hundreds of grams of sample. Many complex sample collection devices have been proposed, however, small robotic missions require simplicity. We present here the results of experiments done with a simple but innovative collection system for sample return from small solar system bodies.

Complex fine-scale diffusion coating formed at low temperature on high-speed steel substrate

NASA Astrophysics Data System (ADS)

Chaus, A. S.; Pokorný, P.; Čaplovič, Ľ.; Sitkevich, M. V.; Peterka, J.

2018-04-01

A complex B-C-N diffusion coating was produced at 580 °C for 1 h on AISI M35 steel substrate and compared with a reference coating formed at 880 °C for 2.5 h. The surface and the cross-sections of the samples were subjected to detailed characterisation. The surface roughness, hardness, residual stresses and adhesion of the coatings were also evaluated together with cutting tests using drills on coated and uncoated samples while monitoring cutting force and torque. The surface of the steel treated at 580 °C revealed Fe2B, boron nitride and boron iron carbide, but FeB was noted to be absent. The 580 °C coating had the fine-scale microstructure, which resulted in the excellent adhesion and enhanced wear resistance, relative to reference samples that contained coarse borides. The results established that a complex fine-scale diffusion coating enhanced the wear resistance and reduces the cutting force and torque during drilling, thereby increasing the drill life by a factor of 2.2.

Cleaning of nanopillar templates for nanoparticle collection using PDMS

NASA Astrophysics Data System (ADS)

Merzsch, S.; Wasisto, H. S.; Waag, A.; Kirsch, I.; Uhde, E.; Salthammer, T.; Peiner, E.

2011-05-01

Nanoparticles are easily attracted by surfaces. This sticking behavior makes it difficult to clean contaminated samples. Some complex approaches have already shown efficiencies in the range of 90%. However, a simple and cost efficient method was still missing. A commonly used silicone for soft lithography, PDMS, is able to mold a given surface. This property was used to cover surface-bonded particles from all other sides. After hardening the PDMS, particles are still embedded. A separation of silicone and sample disjoins also the particles from the surface. After this procedure, samples are clean again. This method was first tested with carbon particles on Si surfaces and Si pillar samples with aspect ratios up to 10. Experiments were done using 2 inch wafers, which, however, is not a size limitation for this method.

Induced polarization of volcanic rocks - 1. Surface versus quadrature conductivity

NASA Astrophysics Data System (ADS)

Revil, A.; Le Breton, M.; Niu, Q.; Wallin, E.; Haskins, E.; Thomas, D. M.

2017-02-01

We performed complex conductivity measurements on 28 core samples from the hole drilled for the Humu'ula Groundwater Research Project (Hawai'i Island, HI, USA). The complex conductivity measurements were performed at 4 different pore water conductivities (0.07, 0.5, 1.0 or 2.0, and 10 S m-1 prepared with NaCl) over the frequency range 1 mHz to 45 kHz at 22 ± 1 °C. The in-phase conductivity data are plotted against the pore water conductivity to determine, sample by sample, the intrinsic formation factor and the surface conductivity. The intrinsic formation factor is related to porosity by Archie's law with an average value of the cementation exponent m of 2.45, indicating that only a small fraction of the connected pore space controls the transport properties. Both the surface and quadrature conductivities are found to be linearly related to the cation exchange capacity of the material, which was measured with the cobalt hexamine chloride method. Surface and quadrature conductivities are found to be proportional to each other like for sedimentary siliclastic rocks. A Stern layer polarization model is used to explain these experimental results. Despite the fact that the samples contain some magnetite (up to 5 per cent wt.), we were not able to identify the effect of this mineral on the complex conductivity spectra. These results are very encouraging in showing that galvanometric induced polarization measurements can be used in volcanic areas to separate the bulk from the surface conductivity and therefore to define some alteration attributes. Such a goal cannot be achieved with resistivity alone.

An age-colour relationship for main-belt S-complex asteroids.

PubMed

Jedicke, Robert; Nesvorný, David; Whiteley, Robert; Ivezić Z, Zeljko; Jurić, Mario

2004-05-20

Asteroid collisions in the main belt eject fragments that may eventually land on Earth as meteorites. It has therefore been a long-standing puzzle in planetary science that laboratory spectra of the most populous class of meteorite (ordinary chondrites, OC) do not match the remotely observed surface spectra of their presumed (S-complex) asteroidal parent bodies. One of the proposed solutions to this perplexing observation is that 'space weathering' modifies the exposed planetary surfaces over time through a variety of processes (such as solar and cosmic ray bombardment, micro-meteorite bombardment, and so on). Space weathering has been observed on lunar samples, in Earth-based laboratory experiments, and there is good evidence from spacecraft data that the process is active on asteroid surfaces. Here, we present a measurement of the rate of space weathering on S-complex main-belt asteroids using a relationship between the ages of asteroid families and their colours. Extrapolating this age-colour relationship to very young ages yields a good match to the colour of freshly cut OC meteorite samples, lending strong support to a genetic relationship between them and the S-complex asteroids.

Corrosion behaviours of the dental magnetic keeper complexes made by different alloys and methods.

PubMed

Wu, Min-Ke; Song, Ning; Liu, Fei; Kou, Liang; Lu, Xiao-Wen; Wang, Min; Wang, Hang; Shen, Jie-Fei

2016-09-29

The keeper and cast dowel-coping, as a primary component for a magnetic attachment, is easily subjected to corrosion in a wet environment, such as the oral cavity, which contains electrolyte-rich saliva, complex microflora and chewing behaviour and so on. The objective of this in vitro study was to examine the corrosion resistance of a dowel and coping-keeper complex fabricated by finish keeper and three alloys (cobalt-chromium, CoCr; silver-palladium-gold, PdAu; gold-platinum, AuPt) using a laser-welding process and a casting technique. The surface morphology characteristics and microstructures of the samples were examined by means of metallographic microscope and scanning electron microscope (SEM). Energy-dispersive spectroscopy (EDS) with SEM provided elements analysis information for the test samples after 10% oxalic acid solution etching test. Tafel polarization curve recordings demonstrated parameter values indicating corrosion of the samples when subjected to electrochemical testing. This study has suggested that massive oxides are attached to the surface of the CoCr-keeper complex but not to the AuPt-keeper complex. Only the keeper area of cast CoCr-keeper complex displayed obvious intergranular corrosion and changes in the Fe and Co elements. Both cast and laser-welded AuPt-keeper complexes had the highest free corrosion potential, followed by the PdAu-keeper complex. We concluded that although the corrosion resistance of the CoCr-keeper complex was worst, the keeper surface passive film was actually preserved to its maximum extent. The laser-welded CoCr- and PdAu-keeper complexes possessed superior corrosion resistance as compared with their cast specimens, but no significant difference was found between the cast and laser-welded AuPt-keeper complexes. The Fe-poor and Cr-rich band, appearing on the edge of the keeper when casting, has been proven to be a corrosion-prone area.

Corrosion behaviours of the dental magnetic keeper complexes made by different alloys and methods

PubMed Central

Wu, Min-Ke; Song, Ning; Liu, Fei; Kou, Liang; Lu, Xiao-Wen; Wang, Min; Wang, Hang; Shen, Jie-Fei

2016-01-01

The keeper and cast dowel–coping, as a primary component for a magnetic attachment, is easily subjected to corrosion in a wet environment, such as the oral cavity, which contains electrolyte-rich saliva, complex microflora and chewing behaviour and so on. The objective of this in vitro study was to examine the corrosion resistance of a dowel and coping-keeper complex fabricated by finish keeper and three alloys (cobalt–chromium, CoCr; silver–palladium–gold, PdAu; gold–platinum, AuPt) using a laser-welding process and a casting technique. The surface morphology characteristics and microstructures of the samples were examined by means of metallographic microscope and scanning electron microscope (SEM). Energy-dispersive spectroscopy (EDS) with SEM provided elements analysis information for the test samples after 10% oxalic acid solution etching test. Tafel polarization curve recordings demonstrated parameter values indicating corrosion of the samples when subjected to electrochemical testing. This study has suggested that massive oxides are attached to the surface of the CoCr–keeper complex but not to the AuPt–keeper complex. Only the keeper area of cast CoCr–keeper complex displayed obvious intergranular corrosion and changes in the Fe and Co elements. Both cast and laser-welded AuPt–keeper complexes had the highest free corrosion potential, followed by the PdAu–keeper complex. We concluded that although the corrosion resistance of the CoCr–keeper complex was worst, the keeper surface passive film was actually preserved to its maximum extent. The laser-welded CoCr– and PdAu–keeper complexes possessed superior corrosion resistance as compared with their cast specimens, but no significant difference was found between the cast and laser-welded AuPt–keeper complexes. The Fe-poor and Cr-rich band, appearing on the edge of the keeper when casting, has been proven to be a corrosion-prone area. PMID:27388806

Revisiting Mn and Fe removal in humic rich estuaries

NASA Astrophysics Data System (ADS)

Oldham, Véronique E.; Miller, Megan T.; Jensen, Laramie T.; Luther, George W.

2017-07-01

Metal removal by estuarine mixing has been studied for several decades, but few studies emphasize dissolved metal speciation and organic ligand complexation. Findings from the last decade indicate that metal-humic complexation can be significant for dissolved metals including Cu(II), Al(III) and Fe(III), but little consideration is given to the precipitation of these complexes with humic material at pH < 2. Given that total soluble metal analysis involves an acidification step for sample preservation, we show that Mn and other metal concentrations may have been underestimated in estuaries, especially when humic substance concentrations are high. A competitive ligand assay of selected samples from our study site, a coastal waterway bordered by wetlands (Broadkill River, DE), showed that Mn(III)-humic complexation is significant, and that some Mn(III)-L complexes precipitate during acidification. In the oxygenated surface waters of the Broadkill River, total dissolved Mn (dMnT) was up to 100% complexed to ambient ligands as Mn(III)-L, and we present evidence for humic-type Mn(III)-L complexes. The Mn(III) complexes were kinetically stabilized against Fe(II) reduction, even when [Fe(II)] was 17 times higher than [dMnT]. Unlike typical oceanic surface waters, [Fe(II)] > [Fe(III)-L] in surface waters, which may be attributed to high rates of photoreduction of Fe(III)-L complexes. Total [Mn(III)-L] ranged from 0.22 to 8.4 μM, in excess of solid MnOx (below 0.28 μM in all samples). Filtration of samples through 0.02 μm filters indicated that all Mn(III)-L complexes pass through the filters and were not colloidal species in contrast to dissolved Fe. Incubation experiments indicated that the reductive dissolution of solid MnOx by ambient ligands may be responsible for Mn(III) formation in this system. Unlike previous studies of estuarine mixing, which demonstrated metal removal during mixing, we show significant export of dMn and dissolved Fe (dFe) in the summer and fall of 2015. Thus, we propose that estuarine removal should be considered seasonal for dMn and dFe, with export in the summer and fall and removal during the winter.

A Transmission Electron Microscope Investigation of Space Weathering Effects in Hayabusa Samples

NASA Technical Reports Server (NTRS)

Keller, Lindsay P.; Berger, Eve L.

2014-01-01

The Hayabusa mission to asteroid 25143 Itokawa successfully returned the first direct samples of the regolith from the surface of an asteroid. The Hayabusa samples thus present a special opportunity to directly investigate the evolution of asteroidal surfaces, from the development of the regolith to the study of the more complex effects of space weathering. Here we describe the mineralogy, microstructure and composition of three Hayabusa mission particles using transmission electron microscope (TEM) techniques

Dragonfly: Investigating the Surface Composition of Titan

NASA Technical Reports Server (NTRS)

Brinckerhoff, W. B.; Lawrence, D. J.; Barnes, J. W.; Lorenz, R. D.; Horst, S. M.; Zacny, K.; Freissinet, C.; Parsons, A. M.; Turtle, E. P.; Trainer, M. G.;

Introducing sampling entropy in repository based adaptive umbrella sampling

NASA Astrophysics Data System (ADS)

Zheng, Han; Zhang, Yingkai

2009-12-01

Determining free energy surfaces along chosen reaction coordinates is a common and important task in simulating complex systems. Due to the complexity of energy landscapes and the existence of high barriers, one widely pursued objective to develop efficient simulation methods is to achieve uniform sampling among thermodynamic states of interest. In this work, we have demonstrated sampling entropy (SE) as an excellent indicator for uniform sampling as well as for the convergence of free energy simulations. By introducing SE and the concentration theorem into the biasing-potential-updating scheme, we have further improved the adaptivity, robustness, and applicability of our recently developed repository based adaptive umbrella sampling (RBAUS) approach [H. Zheng and Y. Zhang, J. Chem. Phys. 128, 204106 (2008)]. Besides simulations of one dimensional free energy profiles for various systems, the generality and efficiency of this new RBAUS-SE approach have been further demonstrated by determining two dimensional free energy surfaces for the alanine dipeptide in gas phase as well as in water.

Multiresolution Distance Volumes for Progressive Surface Compression

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laney, D E; Bertram, M; Duchaineau, M A

2002-04-18

We present a surface compression method that stores surfaces as wavelet-compressed signed-distance volumes. Our approach enables the representation of surfaces with complex topology and arbitrary numbers of components within a single multiresolution data structure. This data structure elegantly handles topological modification at high compression rates. Our method does not require the costly and sometimes infeasible base mesh construction step required by subdivision surface approaches. We present several improvements over previous attempts at compressing signed-distance functions, including an 0(n) distance transform, a zero set initialization method for triangle meshes, and a specialized thresholding algorithm. We demonstrate the potential of sampled distancemore » volumes for surface compression and progressive reconstruction for complex high genus surfaces.« less

Constant-Distance Mode Nanospray Desorption Electrospray Ionization Mass Spectrometry Imaging of Biological Samples with Complex Topography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Son N.; Liyu, Andrey V.; Chu, Rosalie K.

A new approach for constant distance mode mass spectrometry imaging of biological samples using nanospray desorption electrospray ionization (nano-DESI MSI) was developed by integrating a shear-force probe with nano-DESI probe. The technical concept and basic instrumental setup as well as general operation of the system are described. Mechanical dampening of resonant oscillations due to the presence of shear forces between the probe and the sample surface enables constant-distance imaging mode via a computer controlled closed feedback loop. The capability of simultaneous chemical and topographic imaging of complex biological samples is demonstrated using living Bacillus Subtilis ATCC 49760 colonies on agarmore » plates. The constant-distance mode nano-DESI MSI enabled imaging of many metabolites including non-ribosomal peptides (surfactin, plipastatin and iturin) and iron-bound heme on the surface of living bacterial colonies ranging in diameter from 10 mm to 13 mm with height variations of up to 0.8 mm above the agar plate. Co-registration of ion images to topographic images provided higher-contrast images. Constant-mode nano-DESI MSI is ideally suited for imaging biological samples of complex topography in their native state.« less

Large scale magmatic event, magnetic anomalies and ore exploration in northern Norway

NASA Astrophysics Data System (ADS)

Pastore, Z.; Church, N. S.; ter Maat, G. W.; Michels, A.; McEnroe, S. A.; Fichler, C.; Larsen, R. B.

2016-12-01

More than 17000 km3of igneous melts intruded into the deep crust at ca. 560-580 Ma and formed the Seiland Igneous Province (SIP), the largest complex of mafic and ultramafic intrusions in northern Fennoscandia. The original emplacement of the SIP is matter of current discussion. The SIP is now located within the Kalak Nappe Complex (KNC), a part of the Middle Allochthon of the North Norwegian Caledonides. The province is believed to represent a cross section of the deep plumbing system of a large igneous province and it is known for its layered intrusions sharing geological features with large ore-forming exploration provinces. In this study we investigate one of the four major ultramafic complexes of the province, the Reinfjord Complex. This was emplaced during three magmatic events in a time span of 4 Ma, and consists in a cylindrically zoned complex with a slightly younger dunite core (Central Series) surrounded by wehrlite and lherzolite dominated series (Upper and Lower Layered Series). Sulphides are present throughout the complex, and an electromagnetic survey identified a Ni-Cu-and a PGE reef deposit within the dunite, 100 meters below the surface. This discovery increased the ore potential of the complex and subsequently 4 deep drill cores were made. High-resolution magnetic helicopter survey was later followed up with ground magnetic and gravity surveys. Extensive sampling of surface rocks and drill cores were made to measure the rock-magnetic and physical properties of the samples and to explore the subsurface structure of the complex. Here, we developed a magnetic model for the Reinfjord complex integrating petrophysical data from both oriented surface samples and from the deep drill cores, with the new ground magnetic, and helicopter data (SkyTEM survey). A 3D model of the geometry of the ultramafic intrusion is presented and a refinement of the geological interpretation of the Reinfjord ultramafic intrusion.

Effect of gamma-irradiation on thermal decomposition kinetics, X-ray diffraction pattern and spectral properties of tris(1,2-diaminoethane)nickel(II)sulphate

NASA Astrophysics Data System (ADS)

Jayashri, T. A.; Krishnan, G.; Rema Rani, N.

2014-12-01

Tris(1,2-diaminoethane)nickel(II)sulphate was prepared, and characterised by various chemical and spectral techniques. The sample was irradiated with 60Co gamma rays for varying doses. Sulphite ion and ammonia were detected and estimated in the irradiated samples. Non-isothermal decomposition kinetics, X-ray diffraction pattern, Fourier transform infrared spectroscopy, electronic, fast atom bombardment mass spectra, and surface morphology of the complex were studied before and after irradiation. Kinetic parameters were evaluated by integral, differential, and approximation methods. Irradiation enhanced thermal decomposition, lowering thermal and kinetic parameters. The mechanism of decomposition is controlled by R3 function. From X-ray diffraction studies, change in lattice parameters and subsequent changes in unit cell volume and average crystallite size were observed. Both unirradiated and irradiated samples of the complex belong to trigonal crystal system. Decrease in the intensity of the peaks was observed in the infrared spectra of irradiated samples. Electronic spectral studies revealed that the M-L interaction is unaffected by irradiation. Mass spectral studies showed that the fragmentation patterns of the unirradiated and irradiated samples are similar. The additional fragment with m/z 256 found in the irradiated sample is attributed to S8+. Surface morphology of the complex changed upon irradiation.

Sorption of trivalent lanthanides and actinides onto montmorillonite: Macroscopic, thermodynamic and structural evidence for ternary hydroxo and carbonato surface complexes on multiple sorption sites.

PubMed

Fernandes, M Marques; Scheinost, A C; Baeyens, B

2016-08-01

The credibility of long-term safety assessments of radioactive waste repositories may be greatly enhanced by a molecular level understanding of the sorption processes onto individual minerals present in the near- and far-fields. In this study we couple macroscopic sorption experiments to surface complexation modelling and spectroscopic investigations, including extended X-ray absorption fine structure (EXAFS) and time-resolved laser fluorescence spectroscopies (TRLFS), to elucidate the uptake mechanism of trivalent lanthanides and actinides (Ln/An(III)) by montmorillonite in the absence and presence of dissolved carbonate. Based on the experimental sorption isotherms for the carbonate-free system, the previously developed 2 site protolysis non electrostatic surface complexation and cation exchange (2SPNE SC/CE) model needed to be complemented with an additional surface complexation reaction onto weak sites. The fitting of sorption isotherms in the presence of carbonate required refinement of the previously published model by reducing the strong site capacity and by adding the formation of Ln/An(III)-carbonato complexes both on strong and weak sites. EXAFS spectra of selected Am samples and TRLFS spectra of selected Cm samples corroborate the model assumptions by showing the existence of different surface complexation sites and evidencing the formation of Ln/An(III) carbonate surface complexes. In the absence of carbonate and at low loadings, Ln/An(III) form strong inner-sphere complexes through binding to three Al(O,OH)6 octahedra, most likely by occupying vacant sites in the octahedral layers of montmorillonite, which are exposed on {010} and {110} edge faces. At higher loadings, Ln/An(III) binds to only one Al octahedron, forming a weaker, edge-sharing surface complex. In the presence of carbonate, we identified a ternary mono- or dicarbonato Ln/An(III) complex binding directly to one Al(O,OH)6 octahedron, revealing that type-A ternary complexes form with the one or two carbonate groups pointing away from the surface into the solution phase. Within the spectroscopically observable concentration range these complexes could only be identified on the weak sites, in line with the small strong site capacity suggested by the refined sorption model. When the solubility of carbonates was exceeded, formation of an Am carbonate hydroxide could be identified. The excellent agreement between the thermodynamic model parameters obtained by fitting the macroscopic data, and the spectroscopically identified mechanisms, demonstrates the mature state of the 2SPNE SC/CE model for predicting and quantifying the retention of Ln/An(III) elements by montmorillonite-rich clay rocks. Copyright © 2016 Elsevier Ltd. All rights reserved.

New possibilities of complex "Thermodyn" application for contactless remote diagnostics in medical practice

NASA Astrophysics Data System (ADS)

Belov, M. Ye.; Shayko-Shaykovskiy, O. G.; Makhrova, Ye. G.; Kramar, V. M.; Oleksuik, I. S.

2018-01-01

We represent here the theoretical justifications, block scheme and experimental sample of a new automated complex "Thermodyn" for remote contactless diagnostics of inflammatory processes of the surfaces and in subcutaneous areas of human body. Also we described here the methods and results of diagnostic measurements, and results of practical applications of this complex.

Geochemistry of Rock Samples Collected from the Iron Hill Carbonatite Complex, Gunnison County, Colorado

USGS Publications Warehouse

Van Gosen, Bradley S.

2008-01-01

A study conducted in 2006 by the U.S. Geological Survey collected 57 surface rock samples from nine types of intrusive rock in the Iron Hill carbonatite complex. This intrusive complex, located in Gunnison County of southwestern Colorado, is known for its classic carbonatite-alkaline igneous geology and petrology. The Iron Hill complex is also noteworthy for its diverse mineral resources, including enrichments in titanium, rare earth elements, thorium, niobium (columbium), and vanadium. This study was performed to reexamine the chemistry and metallic content of the major rock units of the Iron Hill complex by using modern analytical techniques, while providing a broader suite of elements than the earlier published studies. The report contains the geochemical analyses of the samples in tabular and digital spreadsheet format, providing the analytical results for 55 major and trace elements.

Effects of ultrasonic treatment on amylose-lipid complex formation and properties of sweet potato starch-based films.

PubMed

Liu, Pengfei; Wang, Rui; Kang, Xuemin; Cui, Bo; Yu, Bin

2018-06-01

To investigate the effect of ultrasonic treatment on the properties of sweet potato starch and sweet potato starch-based films, the complexing index, thermograms and diffractograms of the sweet potato starch-lauric acid composite were tested, and light transmission, microstructure, and mechanical and moisture barrier properties of the films were measured. The results indicated that the low power density ultrasound was beneficial to the formation of an inclusion complex. In thermograms, the gelatinization enthalpies of the ultrasonically treated starches were lower than those of the untreated sample. With the ultrasonic amplitude increased from 40% to 70%, the melting enthalpy (ΔH) of the inclusion complex gradually decreased. X-ray diffraction revealed that the diffraction intensity of the untreated samples was weaker than that of the ultrasonically treated samples. When the ultrasonic amplitude was above 40%, the diffraction intensity and relative crystallinity of inclusion complex gradually decreased. The scanning electronic microscope showed that the surface of the composite films became smooth after being treated by ultrasonication. Ultrasonication led to a reduction in film surface roughness under atomic force microscopy analysis. The films with ultrasonic treatment exhibited higher light transmission, lower elongation at break, higher tensile strength and better moisture barrier property than those without ultrasonic treatment. Copyright © 2018 Elsevier B.V. All rights reserved.

Probing viscoelastic surfaces with bimodal tapping-mode atomic force microscopy: Underlying physics and observables for a standard linear solid model.

PubMed

Solares, Santiago D

2014-01-01

This paper presents computational simulations of single-mode and bimodal atomic force microscopy (AFM) with particular focus on the viscoelastic interactions occurring during tip-sample impact. The surface is modeled by using a standard linear solid model, which is the simplest system that can reproduce creep compliance and stress relaxation, which are fundamental behaviors exhibited by viscoelastic surfaces. The relaxation of the surface in combination with the complexities of bimodal tip-sample impacts gives rise to unique dynamic behaviors that have important consequences with regards to the acquisition of quantitative relationships between the sample properties and the AFM observables. The physics of the tip-sample interactions and its effect on the observables are illustrated and discussed, and a brief research outlook on viscoelasticity measurement with intermittent-contact AFM is provided.

Atomic-scale visualization of oxide thin-film surfaces.

PubMed

Iwaya, Katsuya; Ohsawa, Takeo; Shimizu, Ryota; Okada, Yoshinori; Hitosugi, Taro

2018-01-01

The interfaces of complex oxide heterostructures exhibit intriguing phenomena not observed in their constituent materials. The oxide thin-film growth of such heterostructures has been successfully controlled with unit-cell precision; however, atomic-scale understandings of oxide thin-film surfaces and interfaces have remained insufficient. We examined, with atomic precision, the surface and electronic structures of oxide thin films and their growth processes using low-temperature scanning tunneling microscopy. Our results reveal that oxide thin-film surface structures are complicated in contrast to the general perception and that atomically ordered surfaces can be achieved with careful attention to the surface preparation. Such atomically ordered oxide thin-film surfaces offer great opportunities not only for investigating the microscopic origins of interfacial phenomena but also for exploring new surface phenomena and for studying the electronic states of complex oxides that are inaccessible using bulk samples.

Fast surface-based travel depth estimation algorithm for macromolecule surface shape description.

PubMed

Giard, Joachim; Alface, Patrice Rondao; Gala, Jean-Luc; Macq, Benoît

2011-01-01

Travel Depth, introduced by Coleman and Sharp in 2006, is a physical interpretation of molecular depth, a term frequently used to describe the shape of a molecular active site or binding site. Travel Depth can be seen as the physical distance a solvent molecule would have to travel from a point of the surface, i.e., the Solvent-Excluded Surface (SES), to its convex hull. Existing algorithms providing an estimation of the Travel Depth are based on a regular sampling of the molecule volume and the use of the Dijkstra's shortest path algorithm. Since Travel Depth is only defined on the molecular surface, this volume-based approach is characterized by a large computational complexity due to the processing of unnecessary samples lying inside or outside the molecule. In this paper, we propose a surface-based approach that restricts the processing to data defined on the SES. This algorithm significantly reduces the complexity of Travel Depth estimation and makes possible the analysis of large macromolecule surface shape description with high resolution. Experimental results show that compared to existing methods, the proposed algorithm achieves accurate estimations with considerably reduced processing times.

Molecular Analyzer for Complex Refractory Organic-Rich Surfaces (MACROS)

NASA Technical Reports Server (NTRS)

Getty, Stephanie A.; Cook, Jamie E.; Balvin, Manuel; Brinckerhoff, William B.; Li, Xiang; Grubisic, Andrej; Cornish, Timothy; Ferrance, Jerome; Southard, Adrian

2017-01-01

The Molecular Analyzer for Complex Refractory Organic-rich Surfaces, MACROS, is a novel instrument package being developed at NASA Goddard Space Flight Center. MACROS enables the in situ characterization of a sample's composition by coupling two powerful techniques into one compact instrument package: (1) laser desorption/ionization time-of-flight mass spectrometry (LDMS) for broad detection of inorganic mineral composition and non-volatile organics, and (2) liquid-phase extraction methods to gently isolate the soluble organic and inorganic fraction of a planetary powder for enrichment and detailed analysis by liquid chromatographic separation coupled to LDMS. The LDMS is capable of positive and negative ion detection, precision mass selection, and fragment analysis. Two modes are included for LDMS: single laser LDMS as the broad survey mode and two step laser mass spectrometry (L2MS). The liquid-phase extraction will be done in a newly designed extraction module (EM) prototype, providing selectivity in the analysis of a complex sample. For the sample collection, a diamond drill front end will be used to collect rock/icy powder. With all these components and capabilities together, MACROS offers a versatile analytical instrument for a mission targeting an icy moon, carbonaceous asteroid, or comet, to fully characterize the surface composition and advance our understanding of the chemical inventory present on that body.

Chemical analyses of provided samples

NASA Technical Reports Server (NTRS)

Becker, Christopher H.

1993-01-01

A batch of four samples were received and chemical analysis was performed of the surface and near surface regions of the samples by the surface analysis by laser ionization (SALI) method. The samples included four one-inch diameter optics labeled windows no. PR14 and PR17 and MgF2 mirrors 9-93 PPPC exp. and control DMES 26-92. The analyses emphasized surface contamination or modification. In these studies, pulsed desorption by 355 nm laser light and single-photon ionization (SPI) above the sample by coherent 118 nm radiation (at approximately 5 x 10(exp 5) W/cm(sup 2)) were used, emphasizing organic analysis. For the two windows with an apparent yellowish contaminant film, higher desorption laser power was needed to provide substantial signals, indicating a less volatile contamination than for the two mirrors. Window PR14 and the 9-93 mirror showed more hydrocarbon components than the other two samples. The mass spectra, which show considerable complexity, are discussed in terms of various potential chemical assignments.

Chemical analysis of black crust on the Angkor sandstone at the Bayon temple, Cambodia

NASA Astrophysics Data System (ADS)

Song, Wonsuh; Oguchi, Chiaki; Waragai, Tetsuya

2014-05-01

The Angkor complex is the one of the greatest cultural heritages in the world. It is constructed in the early 12th century, designated as a world cultural heritage by UNESCO in 1992. The temples at the Angkor complex are mainly made of sandstone and laterite. However, due to the tropical climate, plants, lichens and various microorganisms are growing well on the rock surface. Black crusts are also easily found on the stone surface. The 21st technical session of the International Coordinating Committee for the Safeguarding and Development of the Historic Site of Angkor (ICC-Angkor) held in 2012 recommended that to preserve both the biofilms and the forest cover and to prohibit the biocides (chlorine-based) and organic biocides. However, there are many reports that lichens and microorganisms accelerate rock weathering. It is important to clarify that how the biofilm on the Angkor temples affect Angkor sandstones. We sampled Angkor sandstone covered by black crust at the Bayon temple, Angkor complex, and observed the section and the surface of the rock sample by using SEM. Surfaces of the samples are not polished in order to observe the original condition. The samples are coated with gold for 180 seconds. The depth of the black crust is up to 1 mm. Many filamentous materials were found on the black crust. Average energy-dispersive X-ray spectroscopy data of the five areas of ca. 20 μm ×15 μm in the black crusts shows that over 80 % of the filamentous materials are compounds of carbon. It seems that these materials are hyphae. The shape of the hypha is like a thread and its size is few μm in diameter and up to several centimeters in length. Black crusts are consisted of elements and compounds of carbon, Na, Mg, Al, Si, Cl, K, Ca, and Fe. Further research has to be done to find out the better and proper way of conservation for the Angkor complex.

An exploratory investigation of polar organic compounds in waters from a lead–zinc mine and mill complex

USGS Publications Warehouse

Rostad, Colleen E.; Schmitt, Christopher J.; Schumacher, John G.; Leiker, Thomas J.

2011-01-01

Surface water samples were collected in 2006 from a lead mine-mill complex in Missouri to investigate possible organic compounds coming from the milling process. Water samples contained relatively high concentrations of dissolved organic carbon (DOC; greater than 20 mg/l) for surface waters but were colorless, implying a lack of naturally occurring aquatic humic or fulvic acids. Samples were extracted by three different types of solid-phase extraction and analyzed by electrospray ionization/mass spectrometry. Because large amounts of xanthate complexation reagents are used in the milling process, techniques were developed to extract and analyze for sodium isopropyl xanthate and sodium ethyl xanthate. Although these xanthate reagents were not found, trace amounts of the degradates, isopropyl xanthyl thiosulfonate and isopropyl xanthyl sulfonate, were found in most locations sampled, including the tailings pond downstream. Dioctyl sulfosuccinate, a surfactant and process filtering aid, was found at concentrations estimated at 350 μg/l at one mill outlet, but not downstream. Release of these organic compounds downstream from lead-zinc mine and milling areas has not previously been reported. A majority of the DOC remains unidentified.

Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Raymond H.; Truax, Ryan A.; Lankford, David A.

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailedmore » mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.« less

Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

DOE PAGES

Johnson, Raymond H.; Truax, Ryan A.; Lankford, David A.; ...

2016-02-03

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailedmore » mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.« less

Protonation of Different Goethite Surfaces - Unified Models for NaNO3 and NaCl Media.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lutzenkirchen, Johannes; Boily, Jean F.; Gunneriusson, Lars

2008-01-01

Acid-base titration data for two goethites samples in sodium nitrate and sodium chloride media are discussed. The data are modelled based on various surface complexation models in the framework of the MUlti SIte Complexation (MUSIC) model. Various assumptions with respect to the goethite morphology are considered in determining the site density of the surface functional groups. The results from the various model applications are not statistically significant in terms of goodness of fit. More importantly, various published assumptions with respect to the goethite morphology (i.e. the contributions of different crystal planes and their repercussions on the “overall” site densities ofmore » the various surface functional groups) do not significantly affect the final model parameters. The simultaneous fit of the chloride and nitrate data results in electrolyte binding constants, which are applicable over a wide range of electrolyte concentrations including mixtures of chloride and nitrate. Model parameters for the high surface area goethite sample are in excellent agreement with parameters that were independently obtained by another group on different goethite titration data sets.« less

Comparison of in situ uranium KD values with a laboratory determined surface complexation model

USGS Publications Warehouse

Curtis, G.P.; Fox, P.; Kohler, M.; Davis, J.A.

2004-01-01

Reactive solute transport simulations in groundwater require a large number of parameters to describe hydrologic and chemical reaction processes. Appropriate methods for determining chemical reaction parameters required for reactive solute transport simulations are still under investigation. This work compares U(VI) distribution coefficients (i.e. KD values) measured under field conditions with KD values calculated from a surface complexation model developed in the laboratory. Field studies were conducted in an alluvial aquifer at a former U mill tailings site near the town of Naturita, CO, USA, by suspending approximately 10 g samples of Naturita aquifer background sediments (NABS) in 17-5.1-cm diameter wells for periods of 3 to 15 months. Adsorbed U(VI) on these samples was determined by extraction with a pH 9.45 NaHCO3/Na2CO3 solution. In wells where the chemical conditions in groundwater were nearly constant, adsorbed U concentrations for samples taken after 3 months of exposure to groundwater were indistinguishable from samples taken after 15 months. Measured in situ K D values calculated from the measurements of adsorbed and dissolved U(VI) ranged from 0.50 to 10.6 mL/g and the KD values decreased with increasing groundwater alkalinity, consistent with increased formation of soluble U(VI)-carbonate complexes at higher alkalinities. The in situ K D values were compared with KD values predicted from a surface complexation model (SCM) developed under laboratory conditions in a separate study. A good agreement between the predicted and measured in situ KD values was observed. The demonstration that the laboratory derived SCM can predict U(VI) adsorption in the field provides a critical independent test of a submodel used in a reactive transport model. ?? 2004 Elsevier Ltd. All rights reserved.

Probing viscoelastic surfaces with bimodal tapping-mode atomic force microscopy: Underlying physics and observables for a standard linear solid model

PubMed Central

2014-01-01

Summary This paper presents computational simulations of single-mode and bimodal atomic force microscopy (AFM) with particular focus on the viscoelastic interactions occurring during tip–sample impact. The surface is modeled by using a standard linear solid model, which is the simplest system that can reproduce creep compliance and stress relaxation, which are fundamental behaviors exhibited by viscoelastic surfaces. The relaxation of the surface in combination with the complexities of bimodal tip–sample impacts gives rise to unique dynamic behaviors that have important consequences with regards to the acquisition of quantitative relationships between the sample properties and the AFM observables. The physics of the tip–sample interactions and its effect on the observables are illustrated and discussed, and a brief research outlook on viscoelasticity measurement with intermittent-contact AFM is provided. PMID:25383277

Hybridization behavior of mixed DNA/alkylthiol monolayers on gold: characterization by surface plasmon resonance and 32P radiometric assay.

PubMed

Gong, Ping; Lee, Chi-Ying; Gamble, Lara J; Castner, David G; Grainger, David W

2006-05-15

Nucleic acid assay from a complex biological milieu is attractive but currently difficult and far from routine. In this study, DNA hybridization from serum dilutions into mixed DNA/mercaptoundecanol (MCU) adlayers on gold was monitored by surface plasmon resonance (SPR). Immobilized DNA probe and hybridized target densities on these surfaces were quantified using 32P-radiometric assays as a function of MCU diluent exposure. SPR surface capture results correlated with radiometric analysis for hybridization performance, demonstrating a maximum DNA hybridization on DNA/MCU mixed adlayers. The maximum target surface capture produced by MCU addition to the DNA probe layer correlates with structural and conformational data on identical mixed DNA/MCU adlayers on gold derived from XPS, NEXAFS, and fluorescence intensity measurements reported in a related study (Lee, C.-Y.; Gong, P.; Harbers, G. M.; Grainger, D. W.; Castner, D. G.; Gamble, L. J. Anal. Chem. 2006, 78, 3316-3325.). MCU addition into the DNA adlayer on gold also improved surface resistance to both nonspecific DNA and serum protein adsorption. Target DNA hybridization from serum dilutions was monitored with SPR on the optimally mixed DNA/MCU adlayers. Both hybridization kinetics and efficiency were strongly affected by nonspecific protein adsorption from a complex milieu even at a minimal serum concentration (e.g., 1%). No target hybridization was detected in SPR assays from serum concentrations above 30%, indicating nonspecific protein adsorption interference of DNA capture and hybridization from complex milieu. Removal of nonsignal proteins from nucleic acid targets prior to assay represents a significant issue for direct sample-to-assay nucleic acid diagnostics from food, blood, tissue, PCR mixtures, and many other biologically complex sample formats.

The specific sorption of Np(V) on the corundum (α-Al2O3) surface in the presence of trivalent lanthanides Eu(III) and Gd(III): A batch sorption and XAS study.

PubMed

Virtanen, S; Bok, F; Ikeda-Ohno, A; Rossberg, A; Lützenkirchen, J; Rabung, T; Lehto, J; Huittinen, N

2016-12-01

The sorption of pentavalent neptunium, Np(V), on corundum (α-Al2O3) was investigated in the absence and presence of trivalent europium or gadolinium as a competing element under CO2-free conditions. The objective of this study was to investigate how a trivalent metal ion with a higher charge than that of the neptunyl(V) ion would affect the sorption of Np(V) when allowed to adsorb on the mineral surface before the addition of Np(V). Batch sorption experiments conducted as a function of pH (pH-edges) and as a function of Np(V) concentration (isotherms) in the absence and presence of 1×10(-5)M Eu(III) showed no sign of Eu being able to block Np sorption sites. Surface complexation modelling using the diffuse double layer model was applied to the batch data to obtain surface complexation constants for the formed Np(V) complexes on corundum. To account for potential changes occurring in the coordination environment of the neptunium ion in the presence of a trivalent lanthanide, X-ray absorption spectroscopy (XAS) measurements were carried out on the samples containing only Np(V) and Np(V)+Gd(III). The results reveal the presence of a bidentate Np(V) edge-sharing complex on the corundum surface in the absence of Gd(III), while the coordination environment of Np(V) on the corundum surface could be changed when Gd(III) is added to the sample before the sorption of Np(V). Copyright © 2016 Elsevier Inc. All rights reserved.

Nanopatterned submicron pores as a shield for nonspecific binding in surface plasmon resonance-based sensing.

PubMed

Raz, Sabina Rebe; Marchesini, Gerardo R; Bremer, Maria G E G; Colpo, Pascal; Garcia, Cesar Pascual; Guidetti, Guido; Norde, Willem; Rossi, Francois

2012-11-21

We present a novel approach to tackle the most common drawback of using surface plasmon resonance for analyte screening in complex biological matrices--the nonspecific binding to the sensor chip surface. By using a perforated membrane supported by a polymeric gel structure at the evanescent wave penetration depth, we have fabricated a non-fouling sieve above the sensing region. The sieve shields the evanescent wave from nonspecific interactions which interfere with SPR sensing by minimizing the fouled area of the polymeric gel and preventing the translocation of large particles, e.g. micelles or aggregates. The nanopatterned macropores were fabricated by means of colloidal lithography and plasma enhanced chemical vapor deposition of a polyethylene oxide-like film on top of a polymeric gel matrix commonly used in surface plasmon resonance analysis. The sieve was characterized using surface plasmon resonance imaging, contact angle, atomic force microscopy and scanning electron microscopy. The performance of the sieve was studied using an immunoassay for detection of antibiotic residues in full fat milk and porcine serum. The non-fouling membrane presented pores in the 92-138 nm range organized in a hexagonal crystal lattice with a clearance of about 5% of the total surface. Functionally, the membrane with the nanopatterned macropores showed significant improvements in immunoassay robustness and sensitivity in untreated complex samples. The utilization of the sensor built-in sieve for measurements in complex matrices offers reduction in pre-analytical sample preparation steps and thus shortens the total analysis time.

Recent advances of mesoporous materials in sample preparation.

PubMed

Zhao, Liang; Qin, Hongqiang; Wu, Ren'an; Zou, Hanfa

2012-03-09

Sample preparation has been playing an important role in the analysis of complex samples. Mesoporous materials as the promising adsorbents have gained increasing research interest in sample preparation due to their desirable characteristics of high surface area, large pore volume, tunable mesoporous channels with well defined pore-size distribution, controllable wall composition, as well as modifiable surface properties. The aim of this paper is to review the recent advances of mesoporous materials in sample preparation with emphases on extraction of metal ions, adsorption of organic compounds, size selective enrichment of peptides/proteins, specific capture of post-translational peptides/proteins and enzymatic reactor for protein digestion. Copyright © 2011 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apel, William A; Thompson, Vicki S

A method for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an embodiment of the invention, the analyte is a drug, such as marijuana, Cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method comprises attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to the antigens in the array to form immunemore » complexes; washing away antibodies that do form immune complexes; and detecting the immune complexes, to form an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to the subject's identity.« less

Antibody profiling sensitivity through increased reporter antibody layering

DOEpatents

Apel, William A.; Thompson, Vicki S.

2013-02-26

A method for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an embodiment of the invention, the analyte is a drug, such as marijuana, Cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method comprises attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to the antigens in the array to form immune complexes; washing away antibodies that do form immune complexes; and detecting the immune complexes, to form an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to the subject's identity.

Rapid classification of biological components

DOEpatents

Thompson, Vicki S.; Barrett, Karen B.; Key, Diane E.

2013-10-15

A method is disclosed for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an illustrative embodiment of the invention, the analyte is a drug, such as marijuana, cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method involves attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein the locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to antigens in the array, thereby forming immune complexes; washing away antibodies that do not form immune complexes; and detecting the immune complexes, thereby forming an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to a subject's identity.

Rapid classification of biological components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, Vicki S.; Barrett, Karen B.; Key, Diane E.

A method is disclosed for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an illustrative embodiment of the invention, the analyte is a drug, such as marijuana, cocaine, methamphetamine, methyltestosterone, or mesterolone. The method involves attaching antigens to the surface of a solid support in a preselected pattern to form an array wherein the locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to antigens in the array, thereby forming immunemore » complexes; washing away antibodies that do form immune complexes; and detecting the immune complexes, thereby forming an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to the subject's identity.« less

Antibody profiling sensitivity through increased reporter antibody layering

DOEpatents

Apel, William A.; Thompson, Vicki S.

2017-03-28

A method for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an embodiment of the invention, the analyte is a drug, such as marijuana, Cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method comprises attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to the antigens in the array to form immune complexes; washing away antibodies that do form immune complexes; and detecting the immune complexes, to form an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to the subject's identity.

Study of solid/liquid and solid/gas interfaces in Cu-isoleucine complex by surface X-ray diffraction

NASA Astrophysics Data System (ADS)

Ferrer, Pilar; Rubio-Zuazo, Juan; Castro, German R.

2013-02-01

The enzymes could be understood like structures formed by amino acids bonded with metals, which act as active sites. The research on the coordination of metal-amino acid complexes will bring light on the behavior of metal enzymes, due to the close relation existing between the atomic structure and the functionality. The Cu-isoleucine bond is considered as a good model system to attain a better insight into the characteristics of naturally occurring copper metalloproteins. The surface structure of metal-amino acid complex could be considered as a more realistic model for real systems under biologic working conditions, since the molecular packing is decreased. In the surface, the structural constrains are reduced, keeping the structural capability of surface complex to change as a function of the surrounding environment. In this work, we present a surface X-ray diffraction study on Cu-isoleucine complex under different ambient conditions. Cu(Ile)2 crystals of about 5 mm × 5 mm × 1 mm have been growth, by seeding method in a supersaturated solution, presenting a surface of high quality. The sample for the surface diffraction study was mounted on a cell specially designed for solid/liquid or solid/gas interface analysis. The Cu-isoleucine crystal was measured under a protective dry N2 gas flow and in contact with a saturated metal amino acid solution. The bulk and the surface signals were compared, showing different atomic structures. In both cases, from surface diffraction data, it is observed that the atomic structure of the top layer undergoes a clear structural deformation. A non-uniform surface relaxation is observed producing an inhomogeneous displacement of the surface atoms towards the surface normal.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

NASA Astrophysics Data System (ADS)

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; Davis, J. A.

2018-01-01

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonite edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites ('spillover' effect). A series of U(VI) - Na-montmorillonite batch adsorption experiments was conducted as a function of pH, with variable U(VI), Ca, and dissolved carbonate concentrations. Based on the experimental data, a new type of surface complexation model (SCM) was developed for montmorillonite, that specifically accounts for the spillover effect using the edge surface speciation model by Tournassat et al. (2016a). The SCM allows for a prediction of U(VI) adsorption under varying chemical conditions with a minimum number of fitting parameters, not only for our own experimental results, but also for a number of published data sets. The model agreed well with many of these datasets without introducing a second site type or including the formation of ternary U(VI)-carbonato surface complexes. The model predictions were greatly impacted by utilizing analytical measurements of dissolved inorganic carbon (DIC) concentrations in individual sample solutions rather than assuming solution equilibration with a specific partial pressure of CO2, even when the gas phase was laboratory air. Because of strong aqueous U(VI)-carbonate solution complexes, the measurement of DIC concentrations was even important for systems set up in the 'absence' of CO2, due to low levels of CO2 contamination during the experiment.

Structural Controls of the Friction Constitutive Properties of Carbonate-bearing Faults

NASA Astrophysics Data System (ADS)

Carpenter, B. M.; Collettini, C.; Scuderi, M.; Marone, C.

2012-12-01

The identification of hetereogenous and complex post-seismic slip for the 2009, Mw = 6.3, L'Aquila earthquake highlights the importance of fault zone structure and frictional behavior. Many of the Mw 6 to 7 earthquakes that occur on normal faults in the active Apennines, such as L'Aquila, nucleate at depths where the lithology is dominated by carbonate rocks. Due to the complex structure observed in exhumed faults (i.e. the presence of highly polished principal slip surfaces, cemented cataclasites, and phyllosilicate-bearing, foliated fault gouge) as well as the large spectrum of fault slip behaviors identified world wide, we designed a suite of experiments using intact and powdered samples to better constrain the possible slip behaviors of these carbonate bearing faults. We collected samples from the exposed Rocchetta Fault, a ~10km long, normal fault with approximately 600m of total offset. The exposed principal slip surface cuts through the Calcare Massiccio formation, which is present throughout central Italy at depths of earthquake nucleation. We collected intact specimens of the natural slip surface and cemented cataclasite, as well as fragments of both which were later pulverized. Furthermore, we collected an intact sample of the hanging wall cataclasite and footwall limestone that contained the principal slip surface. We performed friction experiments in a variety of different configurations (slip surface on slip surface, slip surface on powdered cataclasite, etc.) in order to investigate heterogeneity in frictional behavior as controlled by fault structure. We sheared saturated samples at a constant normal stress of 10 MPa at room temperature. Velocity-stepping tests were performed from 1 to 300 μm/s to identify the friction constitutive parameters of this fault material. Furthermore, a series slide-hold-slide tests were performed (holds of 3 to 1000 seconds) to measure the amount of frictional healing and determine the frictional healing rate. Results from experiments designed to reactivate slip between the principal slip surface and cemented cataclasite show a peak friction value of ~0.95 followed by a ~3 MPa stress drop as the fault surface fails. Our other results suggest that earthquakes will easily nucleate in areas of the fault where two slip surfaces are in contact and are likely to propagate in areas where pulverized fault gouge is in contact with the slip surface. Our data show that samples collected from a single fault can exhibit a large range of slip behaviors. Heterogeneous frictional behavior documented in the lab must be combined with field observations of complex fault structure and seismological observations of the different modes of fault slip to further our understanding of fault slip. Future work will consist of thin section and XRD analysis of all experimental material.

Application of wavefield compressive sensing in surface wave tomography

NASA Astrophysics Data System (ADS)

Zhan, Zhongwen; Li, Qingyang; Huang, Jianping

2018-06-01

Dense arrays allow sampling of seismic wavefield without significant aliasing, and surface wave tomography has benefitted from exploiting wavefield coherence among neighbouring stations. However, explicit or implicit assumptions about wavefield, irregular station spacing and noise still limit the applicability and resolution of current surface wave methods. Here, we propose to apply the theory of compressive sensing (CS) to seek a sparse representation of the surface wavefield using a plane-wave basis. Then we reconstruct the continuous surface wavefield on a dense regular grid before applying any tomographic methods. Synthetic tests demonstrate that wavefield CS improves robustness and resolution of Helmholtz tomography and wavefield gradiometry, especially when traditional approaches have difficulties due to sub-Nyquist sampling or complexities in wavefield.

ChromAlign: A two-step algorithmic procedure for time alignment of three-dimensional LC-MS chromatographic surfaces.

PubMed

Sadygov, Rovshan G; Maroto, Fernando Martin; Hühmer, Andreas F R

2006-12-15

We present an algorithmic approach to align three-dimensional chromatographic surfaces of LC-MS data of complex mixture samples. The approach consists of two steps. In the first step, we prealign chromatographic profiles: two-dimensional projections of chromatographic surfaces. This is accomplished by correlation analysis using fast Fourier transforms. In this step, a temporal offset that maximizes the overlap and dot product between two chromatographic profiles is determined. In the second step, the algorithm generates correlation matrix elements between full mass scans of the reference and sample chromatographic surfaces. The temporal offset from the first step indicates a range of the mass scans that are possibly correlated, then the correlation matrix is calculated only for these mass scans. The correlation matrix carries information on highly correlated scans, but it does not itself determine the scan or time alignment. Alignment is determined as a path in the correlation matrix that maximizes the sum of the correlation matrix elements. The computational complexity of the optimal path generation problem is reduced by the use of dynamic programming. The program produces time-aligned surfaces. The use of the temporal offset from the first step in the second step reduces the computation time for generating the correlation matrix and speeds up the process. The algorithm has been implemented in a program, ChromAlign, developed in C++ language for the .NET2 environment in WINDOWS XP. In this work, we demonstrate the applications of ChromAlign to alignment of LC-MS surfaces of several datasets: a mixture of known proteins, samples from digests of surface proteins of T-cells, and samples prepared from digests of cerebrospinal fluid. ChromAlign accurately aligns the LC-MS surfaces we studied. In these examples, we discuss various aspects of the alignment by ChromAlign, such as constant time axis shifts and warping of chromatographic surfaces.

Pycortex: an interactive surface visualizer for fMRI

PubMed Central

Gao, James S.; Huth, Alexander G.; Lescroart, Mark D.; Gallant, Jack L.

2015-01-01

Surface visualizations of fMRI provide a comprehensive view of cortical activity. However, surface visualizations are difficult to generate and most common visualization techniques rely on unnecessary interpolation which limits the fidelity of the resulting maps. Furthermore, it is difficult to understand the relationship between flattened cortical surfaces and the underlying 3D anatomy using tools available currently. To address these problems we have developed pycortex, a Python toolbox for interactive surface mapping and visualization. Pycortex exploits the power of modern graphics cards to sample volumetric data on a per-pixel basis, allowing dense and accurate mapping of the voxel grid across the surface. Anatomical and functional information can be projected onto the cortical surface. The surface can be inflated and flattened interactively, aiding interpretation of the correspondence between the anatomical surface and the flattened cortical sheet. The output of pycortex can be viewed using WebGL, a technology compatible with modern web browsers. This allows complex fMRI surface maps to be distributed broadly online without requiring installation of complex software. PMID:26483666

Determination of effective complex refractive index of a turbid liquid with surface plasmon resonance phase detection.

PubMed

Yingying, Zhang; Jiancheng, Lai; Cheng, Yin; Zhenhua, Li

2009-03-01

The dependence of the surface plasmon resonance (SPR) phase difference curve on the complex refractive index of a sample in Kretschmann configuration is discussed comprehensively, based on which a new method is proposed to measure the complex refractive index of turbid liquid. A corresponding experiment setup was constructed to measure the SPR phase difference curve, and the complex refractive index of turbid liquid was determined. By using the setup, the complex refractive indices of Intralipid solutions with concentrations of 5%, 10%, 15%, and 20% are obtained to be 1.3377+0.0005 i, 1.3427+0.0028 i, 1.3476+0.0034 i, and 1.3496+0.0038 i, respectively. Furthermore, the error analysis indicates that the root-mean-square errors of both the real and the imaginary parts of the measured complex refractive index are less than 5x10(-5).

Detection of pesticides and dioxins in tissue fats and rendering oils using laser-induced breakdown spectroscopy (LIBS).

PubMed

Multari, Rosalie A; Cremers, David A; Scott, Thomas; Kendrick, Peter

2013-03-13

In laser-induced breakdown spectroscopy (LIBS), a series of powerful laser pulses are directed at a surface to form microplasmas from which light is collected and spectrally analyzed to identify the surface material. In most cases, no sample preparation is needed, and results can be automated and made available within seconds to minutes. Advances in LIBS spectral data analysis using multivariate regression techniques have led to the ability to detect organic chemicals in complex matrices such as foods. Here, the use of LIBS to differentiate samples contaminated with aldrin, 1,2,3,4,6,7,8-heptachlorodibenzo-p-dioxin, chlorpyrifos, and dieldrin in the complex matrices of tissue fats and rendering oils is described. The pesticide concentrations in the samples ranged from 0.005 to 0.1 μg/g. All samples were successfully differentiated from each other and from control samples. Sample concentrations could also be differentiated for all of the pesticides and the dioxin included in this study. The results presented here provide first proof-of-principle data for the ability to create LIBS-based instrumentation for the rapid analysis of pesticide and dioxin contamination in tissue fat and rendered oils.

Bacterial complexes of a high moor related to different elements of microrelief

NASA Astrophysics Data System (ADS)

Dobrovol'skaya, T. G.; Golovchenko, A. V.; Yakushev, A. V.; Yurchenko, E. N.; Manucharov, N. A.; Chernov, I. Yu.

2017-04-01

The analysis of bacterial complexes, including the number, taxonomic composition, physiological state, and proportion of ecological trophic groups was performed in a high moorland related to different elements of the microrelief. The abundance of bacteria, their ability for hydrolysis of polymers and the share of r-strategists were found to be higher in the sphagnum hillocks than on the flat surfaces. The total prokaryote biomass was 4 times greater in the sphagnum samples from microhighs (hillocks). On these elements of the microrelief, the density of actinomycetal mycelium was higher. Bacteria of the hydrolytic complex ( Cytophaga and Chitinophaga genera) were found only in microhigh samples.

Beam-induced redox transformation of arsenic during As K-edge XAS measurements: availability of reducing or oxidizing agents and As speciation.

PubMed

Han, Young Soo; Jeong, Hoon Young; Hyun, Sung Pil; Hayes, Kim F; Chon, Chul Min

2018-05-01

During X-ray absorption spectroscopy (XAS) measurements of arsenic (As), beam-induced redox transformation is often observed. In this study, the As species immobilized by poorly crystallized mackinawite (FeS) was assessed for the susceptibility to beam-induced redox reactions as a function of sample properties including the redox state of FeS and the solid-phase As speciation. The beam-induced oxidation of reduced As species was found to be mediated by the atmospheric O 2 and the oxidation products of FeS [e.g. Fe(III) (oxyhydr)oxides and intermediate sulfurs]. Regardless of the redox state of FeS, both arsenic sulfide and surface-complexed As(III) readily underwent the photo-oxidation upon exposure to the atmospheric O 2 during XAS measurements. With strict O 2 exclusion, however, both As(0) and arsenic sulfide were less prone to the photo-oxidation by Fe(III) (oxyhydr)oxides than NaAsO 2 and/or surface-complexed As(III). In case of unaerated As(V)-reacted FeS samples, surface-complexed As(V) was photocatalytically reduced during XAS measurements, but arsenic sulfide did not undergo the photo-reduction.

Buried oxide and defects in oxygen implanted Si monitored by positron annihilation

NASA Astrophysics Data System (ADS)

Kruseman, A. C.; van Veen, A.; Schut, H.; Mijnarends, P. E.; Fujinami, M.

2001-08-01

One- and two-detector Doppler broadening measurements performed on low (˜1014 to 1015O+/cm2) and high dose (˜1017 to 1018O+/cm2) oxygen-irradiated Si using variable-energy slow positrons are analyzed in terms of S and W parameters. After annealing the low-dose samples at 800 °C, large VxOy complexes are formed at depths around 400 nm. These complexes produce a clear-cut signature when the ratio of S to that of defect-free bulk Si is plotted. Similar behavior is found for samples irradiated with 2 and 4×1017O+/cm2 and annealed at 1000 °C. After irradiation with 1.7×1018O+/cm2 and anneal at 1350 °C a 170 nm thick almost-bulk-quality Si surface layer is formed on top of a 430 nm thick buried oxide layer. This method of preparation is called separation by implantation of oxygen. S-W measurements show that the surface layer contains electrically inactive VxOy complexes not seen by electron microscopy. A method is presented to decompose the Doppler broadening line shape into contributions of the bulk, surface, and defect.

Synthesis of nitrosobenzene via photocatalytic oxidation of aniline over MgO/TiO2 under visible light irradiation

NASA Astrophysics Data System (ADS)

Chen, Jinsong; Xiong, Jinhua; Song, Yujie; Yu, Yan; Wu, Ling

2018-05-01

MgO/TiO2 (Degussa P25 TiO2) composites were prepared and were used as visible-light-driven photocatalysts for the oxidation of aniline to nitrosobenzene under oxygen atmosphere. The typical sample with 5 wt% MgO loaded P25 (MP5) shows comparable photocatalytic activity with 2 wt% Pt/P25. The analyzed results of XPS indicate that the lattice oxygen in the MP5 possess higher electron density than those in P25. The electron-rich lattice oxygen, formed as a result of MgO loaded, would facilitate the deprontonation of aniline. A new peak at 3310 cm-1 was observed in in-situ FTIR spectrum for aniline adsorbed on the sample MP5, suggesting that anilino species were formed. These species may be produced via the deprontonation of aniline and result in the formation of the surface complexes. Further XPS studies for aniline adsorbed on the catalysts also indicate the existence of the surface complexes. Under visible light irradiation, the electrons may excite from the surface complexes and initiate the oxidation processes. Finally, speculated photocatalytic processes for the oxidation of aniline to nitrosobenzene were proposed at molecular level.

Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

PubMed

Glatz, Brittany; Sarupria, Sapna

2018-01-23

Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

Probing surface sites of TiO2: reactions with [HRe(CO)5] and [CH3Re(CO)5].

PubMed

Lobo-Lapidus, Rodrigo J; Gates, Bruce C

2010-10-04

Two carbonyl complexes of rhenium, [HRe(CO)(5)] and [CH(3)Re(CO)(5)], were used to probe surface sites of TiO(2) (anatase). These complexes were adsorbed from the gas phase onto anatase powder that had been treated in flowing O(2) or under vacuum to vary the density of surface OH sites. Infrared (IR) spectra demonstrate the variation in the number of sites, including Ti(+3)-OH and Ti(+4)-OH. IR and extended X-ray absorption fine structure (EXAFS) spectra show that chemisorption of the rhenium complexes led to their decarbonylation, with formation of surface-bound rhenium tricarbonyls, when [HRe(CO)(5)] was adsorbed, or rhenium tetracarbonyls, when [CH(3)Re(CO)(5)] was adsorbed. These reactions were accompanied by the formation of water and surface carbonates and removal of terminal hydroxyl groups associated with Ti(+3) and Ti(+4) ions on the anatase. Data characterizing the samples after adsorption of [HRe(CO)(5)] or [CH(3)Re(CO)(5)] determined a ranking of the reactivity of the surface OH sites, with the Ti(+3)-OH groups being the more reactive towards the rhenium complexes but the less likely to be dehydroxylated. The two rhenium pentacarbonyl probes provided complementary information, suggesting that the carbonate species originate from carbonyl ligands initially bonded to the rhenium and from hydroxyl groups of the titania surface, with the reaction leading to the formation of water and bridging hydroxyl groups on the titania. The results illustrate the value of using a family of organometallic complexes as probes of oxide surface sites.

Preliminary description of Apollo 15 sample environments

NASA Technical Reports Server (NTRS)

Swann, G. A.; Hait, M. H.; Schaber, G. G.; Freeman, V. L.; Ulrich, G. E.; Wolfe, E. W.; Reed, V. S.; Sutton, R. L.

1971-01-01

Approximately 78 kg of lunar rock and soil samples were returned by Apollo 15. The rather complete documentation of the locations of nearly all of the samples allows for relating the samples to the specific and detailed geologic environments from which they were collected. This is especially important in an area as geologically complex as the Hadley-Apennine site. All of the material presented was derived from the pre-mission photogeologic maps, lunar surface television video tapes, air-to-ground transcript and crew debriefings, photographs taken on the lunar surface by the Apollo 15 crew, and information supplied by the Lunar Sample Preliminary Examination team from which the samples were categorized into groups consisting of, broadly, basalts and breccias. The breccias are considered loosely in terms of coherent breccias and soil breccias.

Evaluation of complex gonioapparent samples using a bidirectional spectrometer.

PubMed

Rogelj, Nina; Penttinen, Niko; Gunde, Marta Klanjšek

2015-08-24

Many applications use gonioapparent targets whose appearance depends on irradiation and viewing angles; the strongest effects are provided by light diffraction. These targets, optically variable devices (OVDs), are used in both security and authentication applications. This study introduces a bidirectional spectrometer, which enables to analyze samples with most complex angular and spectral properties. In our work, the spectrometer is evaluated with samples having very different types of reflection, concerning spectral and angular distributions. Furthermore, an OVD containing several different grating patches is evaluated. The device uses automatically adjusting exposure time to provide maximum signal dynamics and is capable of doing steps as small as 0.01°. However, even 2° steps for the detector movement showed that this device is more than capable of characterizing even the most complex reflecting surfaces. This study presents sRGB visualizations, discussion of bidirectional reflection, and accurate grating period calculations for all of the grating samples used.

Enhanced lithium storage performance of hierarchical CuO nanomaterials with surface fractal characteristics

NASA Astrophysics Data System (ADS)

Li, Ang; He, Renyue; Bian, Zhuo; Song, Huaihe; Chen, Xiaohong; Zhou, Jisheng

2018-06-01

Self-assembled hierarchical CuO nanostructures with fractal structures were prepared by a mild method and exhibited excellent lithium storage properties, certain of which even demonstrated a high reversible capacity of 827 mAh g-1 at a rate of 0.1 C. An interesting phenomenon was observed that the electrochemical performance varies along with the structure complexity, and the products with higher surface factal dimensions exhibited larger capability and better cyclability. Structural and electrochemical analysis methods were used to explore the lithiation kinetics of the samples and the reasons for the outstanding electrochemical performances related to the complexities of hierarchical nanostructures and the irregularities of surface and mass distribution.

XAS and XMCD investigation of Mn12 monolayers on gold.

PubMed

Mannini, Matteo; Sainctavit, Philippe; Sessoli, Roberta; Cartier dit Moulin, Christophe; Pineider, Francesco; Arrio, Marie-Anne; Cornia, Andrea; Gatteschi, Dante

2008-01-01

The deposition of Mn(12) single molecule magnets on gold surfaces was studied for the first time using combined X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) methods at low temperature. The ability of the proposed approach to probe the electronic structure and magnetism of Mn(12) complexes without significant sample damage was successfully checked on bulk samples. Detailed information on the oxidation state and magnetic polarization of manganese ions in the adsorbates was obtained from XAS and XMCD spectra, respectively. Partial reduction of metal ions to Mn(II) was clearly observed upon deposition on Au(111) of two different Mn(12) derivatives bearing 16-acetylthio-hexadecanoate and 4-(methylthio)benzoate ligands. The average oxidation state, as well as the relative proportions of Mn(II), Mn(III) and Mn(IV) species, are strongly influenced by the deposition protocol. Furthermore, the local magnetic polarizations are significantly decreased as compared with bulk Mn(12) samples. The results highlight an utmost redox instability of Mn(12) complexes at gold surfaces, presumably accompanied by structural rearrangements, which cannot be easily revealed by standard surface analysis based on X-ray photoelectron spectroscopy and scanning tunnelling microscopy.

Robotic Arm Manipulator Using Active Control for Sample Acquisition and Transfer, and Passive Mode for Surface Compliance

NASA Technical Reports Server (NTRS)

Liu, Jun; Underhill, Michael L.; Trease, Brian P.; Lindemann, Randel A.

2010-01-01

A robotic arm that consists of three joints with four degrees of freedom (DOF) has been developed. It can carry an end-effector to acquire and transfer samples by using active control and comply with surface topology in a passive mode during a brief surface contact. The three joints are arranged in such a way that one joint of two DOFs is located at the shoulder, one joint of one DOF is located at the elbow, and one joint of one DOF is located at the wrist. Operationally, three DOFs are moved in the same plane, and the remaining one on the shoulder is moved perpendicular to the other three for better compliance with ground surface and more flexibility of sample handling. Three out of four joints are backdriveable, making the mechanism less complex and more cost effective

Rapid classification of biological components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, Vicki S.; Barrett, Karen B.; Key, Diane E.

A method is disclosed for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an illustrative embodiment of the invention, the analyte is a drug, such as marijuana, Cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method involves attaching antigens of the surface of a solid support in a preselected pattern to form an array wherein the locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to antigens in the array,more » thereby forming immune complexes; washing away antibodies that do not form immune complexes; and detecting the immune complexes, thereby forming an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to a subject's identity.« less

Rapid classification of biological components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, Vicki S.; Barrett, Karen B.; Key, Diane E.

A method is disclosed for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an illustrative embodiment of the invention, the analyte is a drug, such as marijuana, cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method involves attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein the locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to antigens in the array,more » thereby forming immune complexes; washing away antibodies that do not form immune complexes; and detecting the immune complexes, thereby forming an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to a subject's identity.« less

Antibody profiling sensitivity through increased reporter antibody layering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apel, William A.; Thompson, Vicki S

A method for analyzing a biological sample by antibody profiling for identifying forensic samples or for detecting the presence of an analyte. In an embodiment of the invention, the analyte is a drug, such as marijuana, Cocaine (crystalline tropane alkaloid), methamphetamine, methyltestosterone, or mesterolone. The method comprises attaching antigens to a surface of a solid support in a preselected pattern to form an array wherein locations of the antigens are known; contacting the array with the biological sample such that a portion of antibodies in the sample reacts with and binds to the antigens in the array to form immunemore » complexes; washing away antibodies that do form immune complexes; and detecting the immune complexes, to form an antibody profile. Forensic samples are identified by comparing a sample from an unknown source with a sample from a known source. Further, an assay, such as a test for illegal drug use, can be coupled to a test for identity such that the results of the assay can be positively correlated to the subject's identity.« less

New Laboratory Technique to Determine Thermal Conductivity of Complex Regolith Simulants Under High Vacuum

NASA Astrophysics Data System (ADS)

Ryan, A. J.; Christensen, P. R.

2016-12-01

Laboratory measurements have been necessary to interpret thermal data of planetary surfaces for decades. We present a novel radiometric laboratory method to determine temperature-dependent thermal conductivity of complex regolith simulants under high vacuum and across a wide range of temperatures. Here, we present our laboratory method, strategy, and initial results. This method relies on radiometric temperature measurements instead of contact measurements, eliminating the need to disturb the sample with thermal probes. We intend to determine the conductivity of grains that are up to 2 cm in diameter and to parameterize the effects of angularity, sorting, layering, composition, and cementation. These results will support the efforts of the OSIRIS-REx team in selecting a site on asteroid Bennu that is safe and meets grain size requirements for sampling. Our system consists of a cryostat vacuum chamber with an internal liquid nitrogen dewar. A granular sample is contained in a cylindrical cup that is 4 cm in diameter and 1 to 6 cm deep. The surface of the sample is exposed to vacuum and is surrounded by a black liquid nitrogen cold shroud. Once the system has equilibrated at 80 K, the base of the sample cup is rapidly heated to 450 K. An infrared camera observes the sample from above to monitor its temperature change over time. We have built a time-dependent finite element model of the experiment in COMSOL Multiphysics. Boundary temperature conditions and all known material properties (including surface emissivities) are included to replicate the experiment as closely as possible. The Optimization module in COMSOL is specifically designed for parameter estimation. Sample thermal conductivity is assumed to be a quadratic or cubic polynomial function of temperature. We thus use gradient-based optimization methods in COMSOL to vary the polynomial coefficients in an effort to reduce the least squares error between the measured and modeled sample surface temperature.

Giardia spp. Are Commonly Found in Mixed Assemblages in Surface Water, as Revealed by Molecular and Whole-Genome Characterization

PubMed Central

Tsui, Clement K.-M.; Hsiao, William W. L.; Uyaguari-Diaz, Miguel I.; Ho, Jordan; Tang, Patrick; Isaac-Renton, Judith

2015-01-01

Giardia is the most common parasitic cause of gastrointestinal infections worldwide, with transmission through surface water playing an important role in various parts of the world. Giardia duodenalis (synonyms: G. intestinalis and G. lamblia), a multispecies complex, has two zoonotic subtypes, assemblages A and B. When British Columbia (BC), a western Canadian province, experienced several waterborne giardiasis outbreaks due to unfiltered surface drinking water in the late 1980s, collection of isolates from surface water, as well as from humans and beavers (Castor canadensis), throughout the province was carried out. To better understand Giardia in surface water, 71 isolates, including 29 from raw surface water samples, 29 from human giardiasis cases, and 13 from beavers in watersheds from this historical library were characterized by PCR. Study isolates also included isolates from waterborne giardiasis outbreaks. Both assemblages A and B were identified in surface water, human, and beavers samples, including a mixture of both assemblages A and B in waterborne outbreaks. PCR results were confirmed by whole-genome sequencing (WGS) for one waterborne outbreak and supported the clustering of human, water, and beaver isolates within both assemblages. We concluded that contamination of surface water by Giardia is complex, that the majority of our surface water isolates were assemblage B, and that both assemblages A and B may cause waterborne outbreaks. The higher-resolution data provided by WGS warrants further study to better understand the spread of Giardia. PMID:25956776

Complex permittivity measurements during high temperature recycling of space shuttle antenna window and dielectric heat shield materials

NASA Technical Reports Server (NTRS)

Bassett, H. L.; Bomar, S. H., Jr.

1973-01-01

The research performed and the data obtained on candidate space shuttle antenna window and heat shield materials are presented. The measurement technique employs a free-space focused beam microwave bridge for obtaining RF transmission data, and a device which rotates a sample holder which is heated on one side by natural gas-air flames. The surface temperature of each sample is monitored by IR pyrometry; embedded and rear surface thermocouples are also used in obtaining temperature data. The surface of the sample undergoing test is subjected to approximately the same temperature/time profile that occurs at a proposed antenna position on the space shuttle as it re-enters. The samples are cycled through ten of these temperature profiles to determine the recycling effects. Very little change was noted in the materials due to the recycling.

Supramolecular Complex Antioxidant Consisting of Vitamins C, E and Hydrophilic-Hydrophobic Silica Nanoparticles

NASA Astrophysics Data System (ADS)

Laguta, I. V.; Kuzema, P. O.; Stavinskaya, O. N.; Kazakova, O. A.

Samples with varied amount of surface trimethylsilyl groups were obtained via gas-phase chemical modification of silica nanoparticles. The biocompatibility tests conducted in erythrocyte suspension have shown that hydrophobization of silica decreases its damaging effect to the cells. Being wettable in aqueous media, partially silylated silicas have higher affinity to hydrophobic bioactive molecules in comparison with the initial silica. Novel antioxidant consisting of vitamins C and E and silica with 40% of surface trimethylsilyl groups was formulated. It was found that supramolecular complexes are formed on the silica surface due to the affinity of water- and fat-soluble antioxidants to hydrophilic silanol and hydrophobic trimethylsilyl groups, respectively. Test reactions (total phenolic index determination, DPPH test) and in vitro studies (spectral analysis of erythrocyte suspensions undergoing UV irradiation) revealed the correlation between antioxidant activity of the complex antioxidant and the vitamins’ content. The antioxidant remained active during long-term storage under standard conditions.

Supramolecular Complex Antioxidant Consisting of Vitamins C, E and Hydrophilic-Hydrophobic Silica Nanoparticles

NASA Astrophysics Data System (ADS)

Laguta, I. V.; Kuzema, P. O.; Stavinskaya, O. N.; Kazakova, O. A.

Samples with varied amount of surface trimethylsilyl groups were obtained via gas-phase chemical modification of silica nanoparticles. The biocompatibility tests conducted in erythrocyte suspension have shown that hydrophobization of silica decreases its damaging effect to the cells. Being wettable in aqueous media, partially silylated silicas have higher affinity to hydrophobic bioactive molecules in comparison with the initial silica. Novel antioxidant consisting of vitamins C and E and silica with 40% of surface trimethylsilyl groups was formulated. It was found that supramolecular complexes are formed on the silica surface due to the affinity of water- and fat-soluble antioxidants to hydrophilic silanol and hydrophobic trimethylsilyl groups, respectively. Test reactions (total phenolic index determination, DPPH test) and in vitro studies (spectral analysis of erythrocyte suspensions undergoing UV irradiation) revealed the correlation between antioxidant activity of the complex antioxidant and the vitamins' content. The antioxidant remained active during long-term storage under standard conditions.

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions.

PubMed

Solares, Santiago D

2016-01-01

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surface as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single- and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. A multifrequency AFM simulation tool based on the above sample model is provided as supporting information.

Method for the thermal characterization, visualization, and integrity evaluation of conducting material samples or complex structures

DOEpatents

Ortiz, Marcos G.

1992-01-01

A method for modeling a conducting material sample or structure (herein called a system) as at least two regions which comprise an electrical network of resistances, for measuring electric resistance between at least two selected pairs of external leads attached to the surface of the system, wherein at least one external lead is attached to the surface of each of the regions, and, using basic circuit theory, for translating measured resistances into temperatures or thermophysical properties in corresponding regions of the system.

Method for the thermal characterization, visualization, and integrity evaluation of conducting material samples or complex structures

DOEpatents

Ortiz, M.G.

1992-11-24

Disclosed is a method for modeling a conducting material sample or structure (herein called a system) as at least two regions which comprise an electrical network of resistances, for measuring electric resistance between at least two selected pairs of external leads attached to the surface of the system, wherein at least one external lead is attached to the surface of each of the regions, and, using basic circuit theory, for translating measured resistances into temperatures or thermophysical properties in corresponding regions of the system. 16 figs.

X-ray photoelectron spectroscopic evidence for bacteria-enhanced dissolution of hornblende

NASA Astrophysics Data System (ADS)

Kalinowski, B. E.; Liermann, L. J.; Brantley, S. L.; Barnes, A.; Pantano, C. G.

2000-04-01

An Arthrobacter species capable of extracting Fe from hornblende was isolated from a soil from the Adirondacks, NY (USA). This bacteria isolate, used in batch experiments with hornblende, accelerated the release of Fe from hornblende without measurably affecting Al release. The isolate produces both low molecular weight organic acids (LMWOA) and a catecholate siderophore. Polished hornblende (glass and crystal) discs were analyzed with X-ray photoelectron spectroscopy (XPS) before and after incubation with growing Arthrobacter sp. to investigate whether the bacteria caused a distinguishable chemical signature on the upper 100 Å of mineral surface. After removal of the arthrobacter grown on hornblende crystal or glass substrates using lysozyme, XPS revealed surface depletion of Fe for samples grown for several days in buffered (crystal) and unbuffered (crystal and glass) media. Fe/Si ratios of hornblende surfaces dissolved under biotic conditions are significantly lower than Fe/Si ratios on surfaces dissolved under abiotic conditions for similar amounts of time. Enhanced Fe release and the formation of Fe-depleted surfaces is inferred to be caused by catechol complexation at the mineral surface. Because natural siderophore was not isolated in sufficient quantities to run bacteria-free leaching experiments, parallel investigations were run with a commercially available siderophore (desferrioxamine B). Desferrioxamine B was observed to enhance release of Fe, Si, and Al from hornblende both with and without added bacteria. Formation of desferrioxamine-Fe surface complexes were probed by studying the multiple splitting and shift in intensities of the N 1s line analyzed by XPS on siderophore ± Fe on gold surfaces and siderophore + hornblende crystal surfaces. Based upon the observed formation of an hydroxamate (desferrioxamine) surface complex on hornblende, we infer that catecholate siderophores, such as those produced by the arthrobacter, also complex on the hornblende surface. Surface complexation is favored because of the extremely high association constants for siderophore + Fe(III). X-ray photoelectron spectroscopic data is therefore consistent with a model wherein enhanced Fe release by these bacteria or desferrioxamine B is caused by Fe-siderophore complexation at the silicate surface. Such complexation presumably weakens bonds between the Fe and the oxide lattice, causing enhanced Fe leaching and an Fe-depleted surface. Some leaching may also be due to LMWOA, although this is interpreted to be of secondary importance.

Detection of sialomucin complex (MUC4) in human ocular surface epithelium and tear fluid.

PubMed

Pflugfelder, S C; Liu, Z; Monroy, D; Li, D Q; Carvajal, M E; Price-Schiavi, S A; Idris, N; Solomon, A; Perez, A; Carraway, K L

2000-05-01

To evaluate human ocular surface epithelium and tear fluid for the presence of sialomucin complex (MUC4), a high-molecular-weight heterodimeric glycoprotein composed of mucin (ASGP-1) and transmembrane (ASGP-2) subunits. Reverse transcription-polymerase chain reaction (RT-PCR) and Northern blot analysis assays were used to identify sialomucin complex RNA in ocular surface epithelia. Immunoprecipitation and immunoblot analysis were used to identify immunoreactive species in human tears and in the corneal and conjunctival epithelia using antibodies specific for carbohydrate and peptide epitopes on the sialomucin complex subunits. Immunofluorescence staining was used to detect sialomucin complex in frozen sections and impression cytology specimens of human cornea and conjunctival epithelia. ASGP-1- and ASGP-2-specific sequences were amplified from RNA extracted from both conjunctival and corneal epithelial biopsies by RT-PCR. Sialomucin complex transcripts were also detected in these tissues by Northern blot analysis, with a greater level of RNA detected in the peripheral than the central corneal epithelium. Sialomucin complex was immunoprecipitated from tear fluid samples and both corneal and conjunctival epithelia and detected by immunoblot analysis with specific anti-ASGP-1 and anti-ASGP-2 antibodies. The ASGP-1 peptide antibody HA-1 stained the full thickness of the corneal and conjunctival epithelia. In contrast, antibody 15H10, which reacts against a carbohydrate epitope on ASGP-1, stained only the superficial epithelial layers of these tissues. No staining was observed in the conjunctival goblet cells. Sialomucin complex was originally identified in rat mammary adenocarcinoma cells and has recently been shown to be produced by the ocular surface epithelia of rats. Furthermore, it has been identified as the rat homologue of human MUC4 mucin. The present studies show that it is expressed in the stratified epithelium covering the surface of the human eye and is present in human tear fluid. Expression of a carbohydrate-dependent epitope on the mucin subunit (ASGP-1) of sialomucin complex occurs in a differentiation-dependent fashion. Sialomucin complex joins MUC1 as another membrane mucin produced by the human ocular surface epithelia but is also found in the tear fluid, presumably in a soluble form, as found on the rat ocular surface.

Design of refractive laser beam shapers to generate complex irradiance profiles

NASA Astrophysics Data System (ADS)

Li, Meijie; Meuret, Youri; Duerr, Fabian; Vervaeke, Michael; Thienpont, Hugo

2014-05-01

A Gaussian laser beam is reshaped to have specific irradiance distributions in many applications in order to ensure optimal system performance. Refractive optics are commonly used for laser beam shaping. A refractive laser beam shaper is typically formed by either two plano-aspheric lenses or by one thick lens with two aspherical surfaces. Ray mapping is a general optical design technique to design refractive beam shapers based on geometric optics. This design technique in principle allows to generate any rotational-symmetric irradiance profile, yet in literature ray mapping is mainly developed to transform a Gaussian irradiance profile to a uniform profile. For more complex profiles especially with low intensity in the inner region, like a Dark Hollow Gaussian (DHG) irradiance profile, ray mapping technique is not directly applicable in practice. In order to these complex profiles, the numerical effort of calculating the aspherical surface points and fitting a surface with sufficient accuracy increases considerably. In this work we evaluate different sampling approaches and surface fitting methods. This allows us to propose and demonstrate a comprehensive numerical approach to efficiently design refractive laser beam shapers to generate rotational-symmetric collimated beams with a complex irradiance profile. Ray tracing analysis for several complex irradiance profiles demonstrates excellent performance of the designed lenses and the versatility of our design procedure.

Describing wildland surface fuel loading for fire management: A review of approaches, methods and systems

Treesearch

Robert E. Keane

2013-01-01

Wildland fuelbeds are exceptionally complex, consisting of diverse particles of many sizes, types and shapes with abundances and properties that are highly variable in time and space. This complexity makes it difficult to accurately describe, classify, sample and map fuels for wildland fire research and management. As a result, many fire behaviour and effects software...

Ultraviolet complex refractive index of Martian dust Laboratory measurements of terrestrial analogs

NASA Technical Reports Server (NTRS)

Egan, W. G.; Hilgeman, T.; Pang, K.

1975-01-01

The optical complex index of refraction of four candidate Martian surface materials has been determined between 0.185 and 0.4 microns using a modified Kubelka-Munk scattering theory. The cadidate materials were limonite, andesite, montmorillonite, and basalt. The effect of scattering has been removed from the results. Also presented are diffuse reflection and transmission data on these samples.

Atomic force microscopy imaging of macromolecular complexes.

PubMed

Santos, Sergio; Billingsley, Daniel; Thomson, Neil

2013-01-01

This chapter reviews amplitude modulation (AM) AFM in air and its applications to high-resolution imaging and interpretation of macromolecular complexes. We discuss single DNA molecular imaging and DNA-protein interactions, such as those with topoisomerases and RNA polymerase. We show how relative humidity can have a major influence on resolution and contrast and how it can also affect conformational switching of supercoiled DNA. Four regimes of AFM tip-sample interaction in air are defined and described, and relate to water perturbation and/or intermittent mechanical contact of the tip with either the molecular sample or the surface. Precise control and understanding of the AFM operational parameters is shown to allow the user to switch between these different regimes: an interpretation of the origins of topographical contrast is given for each regime. Perpetual water contact is shown to lead to a high-resolution mode of operation, which we term SASS (small amplitude small set-point) imaging, and which maximizes resolution while greatly decreasing tip and sample wear and any noise due to perturbation of the surface water. Thus, this chapter provides sufficient information to reliably control the AFM in the AM AFM mode of operation in order to image both heterogeneous samples and single macromolecules including complexes, with high resolution and with reproducibility. A brief introduction to AFM, its versatility and applications to biology is also given while providing references to key work and general reviews in the field.

Low-level (PPB) determination of cisplatin in cleaning validation (rinse water) samples. II. A high-performance liquid chromatographic method.

PubMed

Raghavan, R; Burchett, M; Loffredo, D; Mulligan, J A

2000-04-01

A high-performance liquid chromatographic (HPLC) method is described for the determination of residual levels of cisplatin from extracts of surfaces with very low surface area; from extracts of surfaces of coupons made of Teflon (polytetrafluoroethylene, PTFE), stainless steel, and glass; and in aqueous solution collected after rinsing equipment and parts. Initially, the method was developed to determine cisplatin at concentrations ranging from 20 to 200 ng/ml by direct injection. Retaining the same method conditions, the scope of the method was expanded by the addition of a sample preconcentration step, allowing analyses at levels ranging from 0.5 ng to 20 ng/ml. Preconcentration is necessary for the determination of cisplatin in rinse waters at a quantifiable concentration of about 2 PPB. Under these conditions, the detection limit is about 0.2 to 0.3 ng/ml. Residual cisplatin on different types of surfaces, including surfaces with very low surface area, can be determined by swabbing each test surface with a derivatizing solution. The cisplatin recovered in the swabbing solution can be analyzed by HPLC using direct injection or preconcentration, depending on the expected level of cisplatin in the sample. Initial methods were developed to quantitate at a cisplatin concentration of about 100 PPB or higher in solution extracted from surfaces. However, when surface areas are limited because of the size of the parts, solution concentration becomes very low as a result of the minimum volume required for extraction. To support the application of swabbing techniques to surface analysis, stainless steel, Teflon, and glass surfaces were spiked with cisplatin at 2.5 to 20 ng/cm2. Satisfactory overall recoveries of 90% +/- 10% were obtained from all surfaces. Cisplatin has no ultraviolet/visible (UV/Vis) spectral-active functional group that can be used to detect low levels of cisplatin. Hence, diethyldithiocarbamate (DDTC) was used as a derivatizing agent to increase sensitivity to UV absorption at 340 nm. Diethyldithiocarbamate forms complexes with the platinum in cisplatin to yield a platinum-DDTC (Pt-DDTC) complex with a high molar-extinction coefficient. The Pt(DDTC)2 complex thus formed was chromatographically separated and the quantitated by comparison of its detector response to that of a similarly derivatized standard preparation. DDTC also has application as a cleaning agent for cisplatin (e.g., for production equipment cleaning, spill cleanup). Destruction of cisplatin can be affected by the reaction of cisplatin with this cleaning agent. Derivatization of cisplatin will convert active cisplatin to platinum-DDTC on surfaces or in solution. Final cleaning can be accomplished using a water-for-injection rinse. After such a cleaning process, the rinse water, when collected and analyzed, showed levels of free cisplatin less than the detection concentration of 0.2 PPB and a total platinum concentration less than 10 PPB as Pt-DDTC complex.

Computer modeling of the mineralogy of the Martian surface, as modified by aqueous alteration

NASA Technical Reports Server (NTRS)

Zolensky, M. E.; Bourcier, W. L.; Gooding, J. L.

1988-01-01

Mineralogical constraints can be placed on the Martian surface by assuming chemical equilibria among the surface rocks, atmosphere and hypothesized percolating groundwater. A study was made of possible Martian surface mineralogy, as modified by the action of aqueous alteration, using the EQ3/6 computer codes. These codes calculate gas fugacities, aqueous speciation, ionic strength, pH, Eh and concentration and degree of mineral saturation for complex aqueous systems. Thus, these codes are also able to consider mineralogical solid solutions. These codes are able to predict the likely alteration phases which will occur as the result of weathering on the Martian surface. Knowledge of the stability conditions of these phases will then assist in the definition of the specifications for the sample canister of the proposed Martian sample return mission. The model and its results are discussed.

Mars Science with Small Aircraft

NASA Technical Reports Server (NTRS)

Calvin, W. M.; Miralles, C.; Clark, B. C.; Wilson, G. R.

2000-01-01

The Mars program has articulated a strategy to answer the question "Could Life have arisen on Mars?" by pursuing an in depth understanding of the location, persistence and expression of water in the surface and sub-surface environments. In addition to the need to understand the role of water in climate and climate history, detailed understanding of the surface and interior of the planet is required as well. Return of samples from the Martian surface is expected to provide key answers and site selection to maximize the science gleaned from samples becomes critical. Current and past orbital platforms have revealed a surface and planetary history of surprising complexity. While these remote views significantly advance our understanding of the planet it is clear that detailed regional surveys can both answer specific open questions as well as provide initial reconnaissance for subsequent landed operations.

Peroxide-modified titanium dioxide: a chemical analog of putative Martian soil oxidants

NASA Technical Reports Server (NTRS)

Quinn, R. C.; Zent, A. P.

1999-01-01

Hydrogen peroxide chemisorbed on titanium dioxide (peroxide-modified titanium dioxide) is investigated as a chemical analog to the putative soil oxidants responsible for the chemical reactivity seen in the Viking biology experiments. When peroxide-modified titanium dioxide (anatase) was exposed to a solution similar to the Viking labeled release (LR) experiment organic medium, CO2 gas was released into the sample cell headspace. Storage of these samples at 10 degrees C for 48 hr prior to exposure to organics resulted in a positive response while storage for 7 days did not. In the Viking LR experiment, storage of the Martian surface samples for 2 sols (approximately 49 hr) resulted in a positive response while storage for 141 sols essentially eliminated the initial rapid release of CO2. Heating the peroxide-modified titanium dioxide to 50 degrees C prior to exposure to organics resulted in a negative response. This is similar to, but not identical to, the Viking samples where heating to approximately 46 degrees C diminished the response by 54-80% and heating to 51.5 apparently eliminated the response. When exposed to water vapor, the peroxide-modified titanium dioxide samples release O2 in a manner similar to the release seen in the Viking gas exchange experiment (GEx). Reactivity is retained upon heating at 50 degrees C for three hours, distinguishing this active agent from the one responsible for the release of CO2 from aqueous organics. The release of CO2 by the peroxide-modified titanium dioxide is attributed to the decomposition of organics by outer-sphere peroxide complexes associated with surface hydroxyl groups, while the release of O2 upon humidification is attributed to more stable inner-sphere peroxide complexes associated with Ti4+ cations. Heating the peroxide-modified titanium dioxide to 145 degrees C inhibited the release of O2, while in the Viking experiments heating to this temperature diminished but did not eliminated the response. Although the thermal stability of the titanium-peroxide complexes in this work is lower than the stability seen in the Viking experiments, it is expected that similar types of complexes will form in titanium containing minerals other than anatase and the stability of these complexes will vary with surface hydroxylation and mineralogy.

High-resolution AFM topographs of Rubrivivax gelatinosus light-harvesting complex LH2

PubMed Central

Scheuring, Simon; Reiss-Husson, Francoise; Engel, Andreas; Rigaud, Jean-Louis; Ranck, Jean-Luc

2001-01-01

Light-harvesting complexes 2 (LH2) are the accessory antenna proteins in the bacterial photosynthetic apparatus and are built up of αβ-heterodimers containing three bacteriochlorophylls and one carotenoid each. We have used atomic force microscopy (AFM) to investigate reconstituted LH2 from Rubrivivax gelatinosus, which has a C-terminal hydrophobic extension of 21 amino acids on the α-subunit. High-resolution topographs revealed a nonameric organization of the regularly packed cylindrical complexes incorporated into the membrane in both orientations. Native LH2 showed one surface which protruded by ∼6 Å and one that protruded by ∼14 Å from the membrane. Topographs of samples reconstituted with thermolysin-digested LH2 revealed a height reduction of the strongly protruding surface to ∼9 Å, and a change of its surface appearance. These results suggested that the α-subunit of R.gelatinosus comprises a single transmembrane helix and an extrinsic C-terminus, and allowed the periplasmic surface to be assigned. Occasionally, large rings (∼120 Å diameter) surrounded by LH2 rings were observed. Their diameter and appearance suggest the large rings to be LH1 complexes. PMID:11406579

Nanoparticles in natural systems II: The natural oxide fraction at interaction with natural organic matter and phosphate

NASA Astrophysics Data System (ADS)

Hiemstra, Tjisse; Antelo, Juan; van Rotterdam, A. M. D.(Debby); van Riemsdijk, Willem H.

2010-01-01

Information on the particle size and reactive surface area of natural samples and its interaction with natural organic matter (NOM) is essential for the understanding bioavailability, toxicity, and transport of elements in the natural environment. In part I of this series ( Hiemstra et al., 2010), a method is presented that allows the determination of the effective reactive surface area ( A, m 2/g soil) of the oxide particles of natural samples which uses a native probe ion (phosphate) and a model oxide (goethite) as proxy. In soils, the natural oxide particles are generally embedded in a matrix of natural organic matter (NOM) and this will affect the ion binding properties of the oxide fraction. A remarkably high variation in the natural phosphate loading of the oxide surfaces ( Γ, μmol/m 2) is observed in our soils and the present paper shows that it is due to surface complexation of NOM, acting as a competitor via site competition and electrostatic interaction. The competitive interaction of NOM can be described with the charge distribution (CD) model by defining a ≡NOM surface species. The interfacial charge distribution of this ≡NOM surface species can be rationalized based on calculations done with an evolved surface complexation model, known as the ligand and charge distribution (LCD) model. An adequate choice is the presence of a charge of -1 v.u. at the 1-plane and -0.5 v.u. at the 2-plane of the electrical double layer used (Extended Stern layer model). The effective interfacial NOM adsorption can be quantified by comparing the experimental phosphate concentration, measured under standardized field conditions (e.g. 0.01 M CaCl 2), with a prediction that uses the experimentally derived surface area ( A) and the reversibly bound phosphate loading ( Γ, μmol/m 2) of the sample (part I) as input in the CD model. Ignoring the competitive action of adsorbed NOM leads to a severe under-prediction of the phosphate concentration by a factor ˜10 to 1000. The calculated effective loading of NOM is low at a high phosphate loading ( Γ) and vice versa, showing the mutual competition of both constituents. Both constituents in combination usually dominate the surface loading of natural oxide fraction of samples and form the backbone in modeling the fate of other (minor) ions in the natural environment. Empirically, the effective NOM adsorption is found to correlate well to the organic carbon content (OC) of the samples. The effective NOM adsorption can also be linked to DOC. For this, a Non-Ideal Competitive adsorption (NICA) model is used. DOC is found to be a major explaining factor for the interfacial loading of NOM as well as phosphate. The empirical NOM-OC relation or the parameterized NICA model can be used as an alternative for estimating the effective NOM adsorption to be implemented in the CD model for calculation of the surface complexation of field samples. The biogeochemical impact of the NOM-PO 4 interaction is discussed.

Statistical robustness of machine-learning estimates for characterizing a groundwater-surface water system, Southland, New Zealand

NASA Astrophysics Data System (ADS)

Friedel, M. J.; Daughney, C.

2016-12-01

The development of a successful surface-groundwater management strategy depends on the quality of data provided for analysis. This study evaluates the statistical robustness when using a modified self-organizing map (MSOM) technique to estimate missing values for three hypersurface models: synoptic groundwater-surface water hydrochemistry, time-series of groundwater-surface water hydrochemistry, and mixed-survey (combination of groundwater-surface water hydrochemistry and lithologies) hydrostratigraphic unit data. These models of increasing complexity are developed and validated based on observations from the Southland region of New Zealand. In each case, the estimation method is sufficiently robust to cope with groundwater-surface water hydrochemistry vagaries due to sample size and extreme data insufficiency, even when >80% of the data are missing. The estimation of surface water hydrochemistry time series values enabled the evaluation of seasonal variation, and the imputation of lithologies facilitated the evaluation of hydrostratigraphic controls on groundwater-surface water interaction. The robust statistical results for groundwater-surface water models of increasing data complexity provide justification to apply the MSOM technique in other regions of New Zealand and abroad.

A pivotal role for reductive methylation in the de novo crystallization of a ternary complex composed of Yersinia pestis virulence factors YopN, SycN and YscB.

PubMed

Schubot, Florian D; Waugh, David S

2004-11-01

Structural studies of a ternary complex composed of the Yersina pestis virulence factors YopN, SycN and YscB were initially hampered by poor solubility of the individual proteins. Co-expression of all three proteins in Escherichia coli yielded a well behaved complex, but this sample proved to be recalcitrant to crystallization. As crystallization efforts remained fruitless, even after the proteolysis-guided engineering of a truncated YopN polypeptide, reductive methylation of lysine residues was employed to alter the surface properties of the complex. The methylated complex yielded crystals that diffracted X-rays to a maximal resolution of 1.8 A. The potential utility of reductive methylation as a remedial strategy for high-throughput structural biology was further underscored by the successful modification of a selenomethionine-substituted sample.

Magnetic mapping of (carbonated) oceanic crust-mantle boundary: New insights from Linnajavri, northern Norway

NASA Astrophysics Data System (ADS)

Tominaga, M.; Beinlich, A.; Tivey, M.; Andrade Lima, E.; Weiss, B. P.

2012-12-01

The contribution of lower oceanic crust and upper mantle to marine magnetic anomalies has long been recognized, but the detailed magnetic character of this non-volcanic source layer remains to be fully defined. Here, we report preliminary results of a magnetic survey and source characterization of a "carbonated" oceanic Moho (petrological "Mohorovicic discontinuity") sequence observed at the Linnajavri Serpentinite Complex (LSC), northern Norway. The LSC is located at 67° 36'N and 16° 24'E within the upper Allochthon of the Norwegian Caledonides and represents a dismembered ophiolite. Particularly in the southern ("Ridoalggicohkka") area of the LSC, gabbro, serpentinite and its talc-carbonate (soapstone) and quartz-carbonate (listvenite) altered equivalents are extraordinarily well-exposed [1]. An intact oceanic Moho is exposed here, despite its complex tectonic setting. The small degree of arctic rock weathering (≤ 2 mm weathering surface) allowed for detailed regional-scale surface magnetic mapping across alteration fronts (serpentinite-soapstone; soapstone-listvenite) and lithological contacts (soapstone-gabbro). Magnetic mapping was conducted using a handheld 3-axis magnetometer, surface-towed resistivity meter and Teka surface magnetic susceptometer with sample spacing of 1 m. Geophysical field mapping was combined with petrological observations and scanning SQUID microscopy (SM) mapping conducted on thin sections from rock samples that were drilled along the survey lines. Regional scale magnetic mapping indicates that the total magnetic field across both the "carbonated" Moho and the soapstone-serpentinite interfaces show higher frequency changes in their magnetic anomaly character and amplitudes than the surface-towed resistivity data. SQUID microscopy mapping of both natural remanence magnetization (NRM) and anhysteretic remanence magnetization (ARM) on gabbro, serpentinite, soapstone, and listvenite samples, with a sensor-sample separation of ˜190 μm, show that the distribution of microscopically measurable ferromagnetic and possibly sulfide minerals produces a different bulk intensity for each of the rock types. SM vector magnetic field maps of these samples also reveal that the magnetization associated with these grains (observed as dipole-like fields in SM maps) is variable in direction from grain to grain, which may result from different alteration histories for each grain. These complex magnetization patterns acquired through thermal and chemical alteration history may explain the short wavelength magnetic anomalies observed along our traverse lines. [1] Beinlich, A., Plümper, O., Hövelmann, J., Austrheim, H. and Jamtveit, B. (2012), Terra Nova, in press.

An enhanced droplet-based liquid microjunction surface sampling system coupled with HPLC-ESI-MS/MS for spatially resolved analysis

DOE PAGES

Van Berkel, Gary J.; Weiskittel, Taylor M.; Kertesz, Vilmos

2014-11-07

Droplet-based liquid microjunction surface sampling coupled with high-performance liquid chromatography (HPLC)-electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) for spatially resolved analysis provides the possibility of effective analysis of complex matrix samples and can provide a greater degree of chemical information from a single spot sample than is typically possible with a direct analysis of an extract. Described here is the setup and enhanced capabilities of a discrete droplet liquid microjunction surface sampling system employing a commercially available CTC PAL autosampler. The system enhancements include incorporation of a laser distance sensor enabling unattended analysis of samples and sample locations of dramatically disparatemore » height as well as reliably dispensing just 0.5 μL of extraction solvent to make the liquid junction to the surface, wherein the extraction spot size was confined to an area about 0.7 mm in diameter; software modifications improving the spatial resolution of sampling spot selection from 1.0 to 0.1 mm; use of an open bed tray system to accommodate samples as large as whole-body rat thin tissue sections; and custom sample/solvent holders that shorten sampling time to approximately 1 min per sample. Lastly, the merit of these new features was demonstrated by spatially resolved sampling, HPLC separation, and mass spectral detection of pharmaceuticals and metabolites from whole-body rat thin tissue sections and razor blade (“crude”) cut mouse tissue.« less

An enhanced droplet-based liquid microjunction surface sampling system coupled with HPLC-ESI-MS/MS for spatially resolved analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Berkel, Gary J.; Weiskittel, Taylor M.; Kertesz, Vilmos

Droplet-based liquid microjunction surface sampling coupled with high-performance liquid chromatography (HPLC)-electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) for spatially resolved analysis provides the possibility of effective analysis of complex matrix samples and can provide a greater degree of chemical information from a single spot sample than is typically possible with a direct analysis of an extract. Described here is the setup and enhanced capabilities of a discrete droplet liquid microjunction surface sampling system employing a commercially available CTC PAL autosampler. The system enhancements include incorporation of a laser distance sensor enabling unattended analysis of samples and sample locations of dramatically disparatemore » height as well as reliably dispensing just 0.5 μL of extraction solvent to make the liquid junction to the surface, wherein the extraction spot size was confined to an area about 0.7 mm in diameter; software modifications improving the spatial resolution of sampling spot selection from 1.0 to 0.1 mm; use of an open bed tray system to accommodate samples as large as whole-body rat thin tissue sections; and custom sample/solvent holders that shorten sampling time to approximately 1 min per sample. Lastly, the merit of these new features was demonstrated by spatially resolved sampling, HPLC separation, and mass spectral detection of pharmaceuticals and metabolites from whole-body rat thin tissue sections and razor blade (“crude”) cut mouse tissue.« less

Magnetomechanical effect in silicon (Cz-Si) surface layers

NASA Astrophysics Data System (ADS)

Koplak, O. V.; Dmitriev, A. I.; Morgunov, R. B.

2012-07-01

The mechanical properties of near-surface layers of Czochralski-grown silicon crystals Cz- n-Si(111) have been found to undergo changes in response to an external constant magnetic field ( B ˜ 0.1 T). A magnetically induced variation in the microhardness, Young's modulus, and coefficient of plasticity of silicon crystals correlates with the change in the lattice parameter and internal stresses of the sample. The growth of an oxide film under exposure to a magnetic field plays the principal role in the magnetomechanical effect due to a decrease in the concentration of oxygen complexes in the near-surface layers of the sample. In microstructured silicon, where the surface is considerably more developed, the magnetic field induces more profound changes in the internal stresses as compared to single crystals.

Phase-sensitive terahertz spectroscopy with backward-wave oscillators in reflection mode.

PubMed

Pronin, A V; Goncharov, Yu G; Fischer, T; Wosnitza, J

2009-12-01

In this article we describe a method which allows accurate measurements of the complex reflection coefficient r = absolute value(r) x exp(i phi(R)) of a solid at frequencies of 1-50 cm(-1) (30 GHz-1.5 THz). Backward-wave oscillators are used as sources for monochromatic coherent radiation tunable in frequency. The amplitude of the complex reflection (the reflectivity) is measured in a standard way, while the phase shift, introduced by the reflection from the sample surface, is measured using a Michelson interferometer. This method is particular useful for nontransparent samples, where phase-sensitive transmission measurements are not possible. The method requires no Kramers-Kronig transformation in order to extract the sample's electrodynamic properties (such as the complex dielectric function or complex conductivity). Another area of application of this method is the study of magnetic materials with complex dynamic permeabilities different from unity at the measurement frequencies (for example, colossal-magnetoresistance materials and metamaterials). Measuring both the phase-sensitive transmission and the phase-sensitive reflection allows for a straightforward model-independent determination of the dielectric permittivity and magnetic permeability of such materials.

Phase-sensitive terahertz spectroscopy with backward-wave oscillators in reflection mode

NASA Astrophysics Data System (ADS)

Pronin, A. V.; Goncharov, Yu. G.; Fischer, T.; Wosnitza, J.

2009-12-01

In this article we describe a method which allows accurate measurements of the complex reflection coefficient r̂=|r̂|ṡexp(iφR) of a solid at frequencies of 1-50 cm-1 (30 GHz-1.5 THz). Backward-wave oscillators are used as sources for monochromatic coherent radiation tunable in frequency. The amplitude of the complex reflection (the reflectivity) is measured in a standard way, while the phase shift, introduced by the reflection from the sample surface, is measured using a Michelson interferometer. This method is particular useful for nontransparent samples, where phase-sensitive transmission measurements are not possible. The method requires no Kramers-Kronig transformation in order to extract the sample's electrodynamic properties (such as the complex dielectric function or complex conductivity). Another area of application of this method is the study of magnetic materials with complex dynamic permeabilities different from unity at the measurement frequencies (for example, colossal-magnetoresistance materials and metamaterials). Measuring both the phase-sensitive transmission and the phase-sensitive reflection allows for a straightforward model-independent determination of the dielectric permittivity and magnetic permeability of such materials.

Ultrasonic-energy enhance the ionic liquid-based dual microextraction to preconcentrate the lead in ground and stored rain water samples as compared to conventional shaking method.

PubMed

Nizamani, Sooraj; Kazi, Tasneem G; Afridi, Hassan I

2018-01-01

An efficient preconcentration technique based on ultrasonic-assisted ionic liquid-based dual microextraction (UA-ILDµE) method has been developed to preconcentrate the lead (Pb +2 ) in ground and stored rain water. In the current proposed method, Pb +2 was complexed with a chelating agent (dithizone), whereas an ionic liquid (1-butyl-3-methylimidazolium hexafluorophosphate) was used for extraction purpose. The ultrasonic irradiation and electrical shaking system were applied to enhance the dispersion and extraction of Pb +2 complex in aqueous samples. For second phase, dual microextraction (DµE phase), the enriched Pb +2 complex in ionic liquid, extracted back into the acidic aqueous solution and finally determined by flame atomic absorption spectrometry. Some major analytical parameters that influenced the extraction efficiency of developed method, such as pH, concentration of ligand, volume of ionic liquid and samples, time of shaking in thermostatic electrical shaker and ultrasonic bath, effect of back extracting HNO 3 volume, matrix effect, centrifugation time and rate were optimized. At the sample volume of 25mL, the calculated preconcentration factor was 62.2. The limit of detection of proposed procedure for Pb +2 ions was found to be 0.54μgL -1 . The validation of developed method was performed by the analysis of certified sample of water SRM 1643e and standard addition method in a real water sample. The extraction recovery of Pb +2 was enhanced≥2% with shaking time of 80s in ultrasonic bath as compared to used thermostatic electrical shaker, where for optimum recovery up to 10min was required. The developed procedure was successfully used for the enrichment of Pb +2 in ground and stored rain water (surface water) samples of an endemic region of Pakistan. The resulted data indicated that the ground water samples were highly contaminated with Pb +2 , while some of the surface water samples were also have higher values of Pb +2 than permissible limit of WHO. The concentration of Pb +2 in surface and ground water samples was found in the range of 17.5-24.5 and 25.6-99.1μgL - 1 respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Detection of Multiple Pathogens in Serum Using Silica-Encapsulated Nanotags in a Surface-Enhanced Raman Scattering-Based Immunoassay.

PubMed

Neng, Jing; Li, Yina; Driscoll, Ashley J; Wilson, William C; Johnson, Patrick A

2018-06-06

A robust immunoassay based on surface-enhanced Raman scattering (SERS) has been developed to simultaneously detect trace quantities of multiple pathogenic antigens from West Nile virus, Rift Valley fever virus, and Yersinia pestis in fetal bovine serum. Antigens were detected by capture with silica-encapsulated nanotags and magnetic nanoparticles conjugated with polyclonal antibodies. The magnetic pull-down resulted in aggregation of the immune complexes, and the silica-encapsulated nanotags provided distinct spectra corresponding to each antigen captured. The limit of detection was ∼10 pg/mL in 20% fetal bovine serum, a significant improvement over previous studies in terms of sensitivity, level of multiplexing, and medium complexity. This highly sensitive multiplex immunoassay platform provides a promising method to detect various antigens directly in crude serum samples without the tedious process of sample preparation, which is desirable for on-site diagnostic testing and real-time disease monitoring.

Far-infrared BRDFs and reflectance spectra of candidate SOFIA telescope, cavity, and focal-plane instrument surfaces

NASA Astrophysics Data System (ADS)

Meyer, Allan W.; Smith, Sheldon M.; Koerber, Christopher T.

2000-06-01

The far-infrared reflectance and scattering properties of telescope surfaces, surrounding cavity walls, and surfaces within focal-plane instruments can be significant contributors to background noise. Radiation from sources well off-axis, such as the earth, moon or aircraft engines may be multiply scattered by the cavity walls and/or surface facets of a complex telescope structure. The Non-Specular Reflectometer at NASA Ames Research Center was reactivated and upgraded, and used to measure reflectance and Bi- directional Reflectance Distribution Functions for samples of planned telescope system structural materials and associated surface treatments.

Concentration, Complexation and Chemical Speciation of Zinc and Cadmium in the Western North Pacific Ocean : Exploring Sources and Transport of Trace Metals and Complexing Ligands.

NASA Astrophysics Data System (ADS)

Carrasco, G. G.; Morton, P. L.; Donat, J. R.

2008-12-01

We determined Zn and Cd total dissolved (0.45 µm-filtered) concentrations, organic complexation and chemical speciation in surface water samples collected along the transect of the 2002 IOC Baseline Contaminant Survey expedition in the Western North Pacific and in vertical profile water samples at nine stations. The goals of this work were (1) to compare and contrast various trace metal sources, including both natural and anthropogenic atmospheric deposition, upwelling, marginal seas and others; (2) to study the organic ligand sources, generally thought to be phytoplankton; and (3) to investigate metal and ligand transport mechanisms, residence times and eventual upwelling in the Eastern North Pacific. Total dissolved (TD) Zn and Cd values were obtained using a combination of differential pulse stripping anodic voltammetry (DPASV), preconcentration with 8-HQ or APDC/DDC and quantification at ICPMS or AA. Organic complexation and chemical speciation of Zn and Cd were determined simultaneously using DPASV at a thin-mercury-film, glassy-carbon-disk-electrode. Surface transect TDZn and TDCd concentrations were low in the Subtropical Gyre (STG), in contrast with high values in the Western Subarctic Gyre (WSG). Zn and Cd were organically complexed in most surface samples: at least one ligand class was detected for Zn and Cd, whose conditional stability constants (log K') averaged 10.2 and 10.5, respectively. These ligands were found in excess of the total dissolved metal throughout the region of study except in the WSG for Cd. Vertical distributions of TDZn and TDCd exhibited nutrient-type profiles for all the STG stations. While constant Zn/Si and Cd/P values were observed throughout the water column in the WSG, some deviations were observed within the STG. In addition, the mode and intermediate water masses of the STG displayed very high concentrations of a Zn-complexing ligand (log K' 10.0) in excess of TDZn. As these water masses moved eastward, we observed that the ligand concentrations decreased. In contrast to the STG, the upper 1000m of the WSG showed elevated concentrations of both metals. Despite elevated surface (0-200m) Zn concentrations (~2nM), a Zn-complexing ligand (log K' 9.8) was found in excess of TDZn; below the photic layer, even higher TDZn concentrations might have saturated the ligand. A ligand for Cd was present in lower-than-TDCd concentrations in the same surface waters; below them, organic complexation of Cd was observed rarely in both STG and WSG regions. By studying the geographic distribution of the total dissolved metals and ligands, along with other dissolved and particulate tracers, possible sources and transport mechanisms can be contrasted and evaluated. Furthermore, the influence of these sources and transport mechanisms on the distribution of Zn and Cd chemical species and, ultimately, the bioavailability of these micronutrient metals can be studied.

Investigation of a Potential Protective Mechanism Against Heparin-Induced Thrombocytopenia in Patients on Chronic Intermittent Hemodialysis

PubMed Central

Tanhehco, Yvette C.; Cuker, Adam; Rudnick, Michael; Sachais, Bruce S.

2015-01-01

BACKGROUND Heparin-induced thrombocytopenia (HIT) develops as a result of platelet (PLT) activation by anti-platelet factor 4 (PF4)/heparin complex antibodies. Despite repeated exposure to heparin, patients undergoing chronic intermittent hemodialysis (HD) rarely develop HIT. We investigated the possibility that HD decreases/removes PF4 from PLT surfaces and/or plasma, thereby disfavoring immune complex formation as a mechanism of protection against HIT. MATERIALS AND METHODS We enrolled 20 patients undergoing chronic HD at the Penn Presbyterian Medical Center. Blood samples were drawn before, during and after treatment in the presence and absence of heparin. PF4, PF4/heparin antibody, heparin, and P-selectin levels were measured. RESULTS No patients demonstrated clinical symptoms of HIT. PLT surface PF4 levels decreased and plasma PF4 levels increased concurrently with increase in plasma heparin concentration. In the absence of heparin, PLT surface and plasma PF4 levels were unchanged. Anti-PF4/heparin antibodies, which were non-functional by the serotonin release assay, were detectable in 8 patients. PLT surface P-selectin levels did not change during treatment. CONCLUSIONS Removal of PLT surface and/or plasma PF4 as a mechanism of protection against HIT in patients undergoing HD is not supported by the results of our study, although the transient decrease in PLT surface PF4 in the presence of large amounts of heparin remains a candidate mechanism. The small sample size, single type of dialyzer membrane, and early sampling time points may have led to the inability to detect changes in PF4 levels. Future studies should explore other potential protective mechanisms. PMID:23305841

EMG-Torque Relation in Chronic Stroke: A Novel EMG Complexity Representation With a Linear Electrode Array.

PubMed

Zhang, Xu; Wang, Dongqing; Yu, Zaiyang; Chen, Xiang; Li, Sheng; Zhou, Ping

2017-11-01

This study examines the electromyogram (EMG)-torque relation for chronic stroke survivors using a novel EMG complexity representation. Ten stroke subjects performed a series of submaximal isometric elbow flexion tasks using their affected and contralateral arms, respectively, while a 20-channel linear electrode array was used to record surface EMG from the biceps brachii muscles. The sample entropy (SampEn) of surface EMG signals was calculated with both global and local tolerance schemes. A regression analysis was performed between SampEn of each channel's surface EMG and elbow flexion torque. It was found that a linear regression can be used to well describe the relation between surface EMG SampEn and the torque. Each channel's root mean square (RMS) amplitude of surface EMG signal in the different torque level was computed to determine the channel with the highest EMG amplitude. The slope of the regression (observed from the channel with the highest EMG amplitude) was smaller on the impaired side than on the nonimpaired side in 8 of the 10 subjects, regardless of the tolerance scheme (global or local) and the range of torques (full or matched range) used for comparison. The surface EMG signals from the channels above the estimated muscle innervation zones demonstrated significantly lower levels of complexity compared with other channels between innervation zones and muscle tendons. The study provides a novel point of view of the EMG-torque relation in the complexity domain, and reveals its alterations post stroke, which are associated with complex neural and muscular changes post stroke. The slope difference between channels with regard to innervation zones also confirms the relevance of electrode position in surface EMG analysis.

Oscillatory erosion and transport flume with superimposed unidirectional flow

DOEpatents

Jepsen, Richard A.; Roberts, Jesse D.

2004-01-20

A method and apparatus for measuring erosion rates of sediments and at high shear stresses due to complex wave action with, or without, a superimposed unidirectional current. Water is forced in a channel past an exposed sediment core sample, which erodes sediments when a critical shear stress has been exceeded. The height of the core sample is adjusted during testing so that the sediment surface remains level with the bottom of the channel as the sediments erode. Complex wave action is simulated by driving tandom piston/cylinder mechanisms with computer-controlled stepper motors. Unidirectional flow, forced by a head difference between two open tanks attached to each end of the channel, may be superimposed on to the complex wave action. Sediment traps may be used to collect bedload sediments. The total erosion rate equals the change in height of the sediment core sample divided by a fixed period of time.

Bone marrow mesenchymal stem cell response to nano-structured oxidized and turned titanium surfaces.

PubMed

Annunziata, Marco; Oliva, Adriana; Buosciolo, Antonietta; Giordano, Michele; Guida, Agostino; Guida, Luigi

2012-06-01

The aim of this study was to analyse the topographic features of a novel nano-structured oxidized titanium implant surface and to evaluate its effect on the response of human bone marrow mesenchymal stem cells (BM-MSC) compared with a traditional turned surface. The 10 × 10 × 1 mm turned (control) and oxidized (test) titanium samples (P.H.I. s.r.l.) were examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM) and characterized by height, spatial and hybrid roughness parameters at different dimensional ranges of analysis. Primary cultures of BM-MSC were seeded on titanium samples and cell morphology, adhesion, proliferation and osteogenic differentiation, in terms of alkaline phosphatase activity, osteocalcin synthesis and extracellular matrix mineralization, were evaluated. At SEM and AFM analyses turned samples were grooved, whereas oxidized surfaces showed a more complex micro- and nano-scaled texture, with higher values of roughness parameters. Cell adhesion and osteogenic parameters were greater on oxidized (P<0.05 at least) vs. turned surfaces, whereas the cell proliferation rate was similar on both samples. Although both control and test samples were in the range of average roughness proper of smooth surfaces, they exhibited significantly different topographic properties in terms of height, spatial and, mostly, of hybrid parameters. This different micro- and nano-structure resulted in an enhanced adhesion and differentiation of cells plated onto the oxidized surfaces. © 2011 John Wiley & Sons A/S.

Surface characterization of ZnO/ZnMn2O4 and Cu/Mn3O4 powders obtained by thermal degradation of heterobimetallic complexes

NASA Astrophysics Data System (ADS)

Barrault, Joël; Makhankova, Valeriya G.; Khavryuchenko, Oleksiy V.; Kokozay, Vladimir N.; Ayrault, Philippe

2012-03-01

From the selective transformation of the heterometallic (Zn-Mn or Cu-Mn) carboxylate complexes with 2,2'-bipyridyl by thermal degradation at relatively low (350 °C) temperature, it was possible to get either well defined spinel ZnMn2O4 over zinc oxide or well dispersed copper particles surrounded by a manganese oxide (Mn3O4) in a core-shell like structure. Morphology of the powder surface was examined by scanning electron microscopy with energy dispersive X-ray microanalysis (SEM/EDX). Surface composition was determined by X-ray photoelectron spectroscopy (XPS). Specific surface of the powders by nitrogen adsorption was found to be 33±0.2 and 9±0.06 m2 g-1 for Zn-Mn and Cu-Mn samples, respectively, which is comparable to those of commercial products.

Nickel adsorption on chalk and calcite

NASA Astrophysics Data System (ADS)

Belova, D. A.; Lakshtanov, L. Z.; Carneiro, J. F.; Stipp, S. L. S.

2014-12-01

Nickel uptake from solution by two types of chalk and calcite was investigated in batch sorption studies. The goal was to understand the difference in sorption behavior between synthetic and biogenic calcite. Experiments at atmospheric partial pressure of CO2, in solutions equilibrated with calcite and chalk and pH ranging from 7.7 to 8.8, explored the influence of initial concentration and the amount and type of sorbent on Ni uptake. Adsorption increases with increased surface area and pH. A surface complexation model describes the data well. Stability constants for the Ni surface complex are log KNi = - 1.12 on calcite and log KNi = - 0.43 and - 0.50 on the two chalk samples. The study confirms that synthetic calcite and chalk both take up nickel, but Ni binds more strongly on the biogenic calcite than on inorganically precipitated, synthetic powder, because of the presence of trace amounts of polysaccharides and clay nanoparticles on the chalk surface.

Directional radiance measurements: Challenges in the sampling of landscapes

NASA Technical Reports Server (NTRS)

Deering, D. W.

1994-01-01

Most earth surfaces, particularly those supporting natural vegetation ecosystems, constitute structurally and spectrally complex surfaces that are distinctly non-Lambertian reflectors. Obtaining meaningful measurements of the directional radiances of landscapes and obtaining estimates of the complete bidirectional reflectance distribution functions of ground targets with complex and variable landscape and radiometric features are challenging tasks. Reasons for the increased interest in directional radiance measurements are presented, and the issues that must be addressed when trying to acquire directional radiances for vegetated land surfaces from different types of remote sensing platforms are discussed. Priority research emphases are suggested, concerning field measurements of directional surface radiances and reflectances for future research. Primarily, emphasis must be given to the acquisition of more complete and directly associated radiometric and biometric parameter data sets that will empower the exploitation of the 'angular dimension' in remote sensing of vegetation through enabling the further development and rigorous validation of state of the art plant canopy models.

Heuristic-driven graph wavelet modeling of complex terrain

NASA Astrophysics Data System (ADS)

Cioacǎ, Teodor; Dumitrescu, Bogdan; Stupariu, Mihai-Sorin; Pǎtru-Stupariu, Ileana; Nǎpǎrus, Magdalena; Stoicescu, Ioana; Peringer, Alexander; Buttler, Alexandre; Golay, François

2015-03-01

We present a novel method for building a multi-resolution representation of large digital surface models. The surface points coincide with the nodes of a planar graph which can be processed using a critically sampled, invertible lifting scheme. To drive the lazy wavelet node partitioning, we employ an attribute aware cost function based on the generalized quadric error metric. The resulting algorithm can be applied to multivariate data by storing additional attributes at the graph's nodes. We discuss how the cost computation mechanism can be coupled with the lifting scheme and examine the results by evaluating the root mean square error. The algorithm is experimentally tested using two multivariate LiDAR sets representing terrain surface and vegetation structure with different sampling densities.

Free energy landscapes of encounter complexes in protein-protein association.

PubMed

Camacho, C J; Weng, Z; Vajda, S; DeLisi, C

1999-03-01

We report the computer generation of a high-density map of the thermodynamic properties of the diffusion-accessible encounter conformations of four receptor-ligand protein pairs, and use it to study the electrostatic and desolvation components of the free energy of association. Encounter complex conformations are generated by sampling the translational/rotational space of the ligand around the receptor, both at 5-A and zero surface-to-surface separations. We find that partial desolvation is always an important effect, and it becomes dominant for complexes in which one of the reactants is neutral or weakly charged. The interaction provides a slowly varying attractive force over a small but significant region of the molecular surface. In complexes with no strong charge complementarity this region surrounds the binding site, and the orientation of the ligand in the encounter conformation with the lowest desolvation free energy is similar to the one observed in the fully formed complex. Complexes with strong opposite charges exhibit two types of behavior. In the first group, represented by barnase/barstar, electrostatics exerts strong orientational steering toward the binding site, and desolvation provides some added adhesion within the local region of low electrostatic energy. In the second group, represented by the complex of kallikrein and pancreatic trypsin inhibitor, the overall stability results from the rather nonspecific electrostatic attraction, whereas the affinity toward the binding region is determined by desolvation interactions.

Radiometric Measurements of the Thermal Conductivity of Complex Planetary-like Materials

NASA Astrophysics Data System (ADS)

Piqueux, S.; Christensen, P. R.

2012-12-01

Planetary surface temperatures and thermal inertias are controlled by the physical and compositional characteristics of the surface layer material, which result from current and past geological activity. For this reason, temperature measurements are often acquired because they provide fundamental constraints on the geological history and habitability. Examples of regolith properties affecting surface temperatures and inertias are: grain sizes and mixture ratios, solid composition in the case of ices, presence of cement between grains, regolith porosity, grain roughness, material layering etc.. Other important factors include volatile phase changes, and endogenic or exogenic heat sources (i.e. geothermal heat flow, impact-related heat, biological activity etc.). In the case of Mars, the multitude of instruments observing the surface temperature at different spatial and temporal resolutions (i.e. IRTM, Thermoskan, TES, MiniTES, THEMIS, MCS, REMS, etc.) in conjunction with other instruments allows us to probe and characterize the thermal properties of the surface layer with an unprecedented resolution. While the derivation of thermal inertia values from temperature measurements is routinely performed by well-established planetary regolith numerical models, constraining the physical properties of the surface layer from thermal inertia values requires the additional step of laboratory measurements. The density and specific heat are usually constant and sufficiently well known for common geological materials, but the bulk thermal conductivity is highly variable as a function of the physical characteristics of the regolith. Most laboratory designs do not allow an investigation of the thermal conductivity of complex regolith configurations similar to those observed on planetary surfaces (i.e. cemented material, large grains, layered material, and temperature effects) because the samples are too small and need to be soft to insert heating or measuring devices. For this reason, we have built a new type of apparatus to measure the thermal conductivity of sample significantly larger than previous apparatus under planetary conditions of atmosphere and gas composition. Samples' edges are cooled down from room to LN2 temperature and the surface material temperature is recorded by an infrared camera without inserting thermocouples or heat sources. Sample surface cooling trends are fit with finite element models of heat transfer to retrieve the material thermal conductivity. Preliminary results confirm independent numerical modeling results predicting the thermal conductivity of complex materials: the thermal inertia of particulate material under Mars conditions is temperature-dependent, small amounts of cements significantly increase the bulk conductivity and inertia of particulate material, and one-grain-thick armors similar to those observed by the Mars Exploration Rovers behave like a thin highly conductive layer that does not significantly influence apparent thermal inertias. These results are used to further our interpretation of Martian temperature observations. For example local amounts of subsurface water ice or the fraction of cementing phase in the global Martian duricrust can be constrained; the search for subtle changes in near-surface heat flow can be performed more accurately, and surface thermal inertias under various atmospheric conditions of pressure and gas composition can be predicted.

Proton adsorption onto alumina: extension of multisite complexation (MUSIC) theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagashima, K.; Blum, F.D.

1999-09-01

The adsorption isotherm of protons onto a commercial {gamma}-alumina sample was determined in aqueous nitric acid with sodium nitrate as a background electrolyte. Three discrete regions could be discerned in the log-log plots of the proton isotherm determined at the solution pH 5 to 2. The multisite complexation (MUSIC) model was modified to analyze the simultaneous adsorption of protons onto various kinds of surface species.

Geochemical behaviour of palladium in soils and Pd/PdO model substances in the presence of the organic complexing agents L-methionine and citric acid.

PubMed

Zereini, Fathi; Wiseman, Clare L S; Vang, My; Albers, Peter; Schneider, Wolfgang; Schindl, Roland; Leopold, Kerstin

2016-01-01

Risk assessments of platinum group metal (PGE) emissions, notably those of platinum (Pt), palladium (Pd) and rhodium (Rh), have been mostly based on data regarding the metallic forms used in vehicular exhaust converters, known to be virtually biologically inert and immobile. To adequately assess the potential impacts of PGE, however, data on the chemical behaviour of these metals under ambient conditions post-emission is needed. Complexing agents with a high affinity for metals in the environment are hypothesized to contribute to an increased bioaccessibility of PGE. The purpose of this study is to examine the modulating effects of the organic complexing agents, L-methionine and citric acid, on the geochemical behavior of Pd in soils and model substances (Pd black and PdO). Batch experimental tests were conducted with soils and model substances to examine the impacts of the concentration of complexing agents, pH and length of extraction period on Pd solubility and its chemical transformation. Particle surface chemistry was examined using X-ray photoelectron spectroscopy (XPS) on samples treated with solutions under various conditions, including low and high O2 levels. Pd was observed to be more soluble in the presence of organic complexing agents, compared to Pt and Rh. Pd in soils was more readily solubilized with organic complexing agents compared to the model substances. After 7 days of extraction, L-methionine (0.1 M) treated soil and Pd black samples, for instance, had mean soluble Pd fractions of 12.4 ± 5.9% and 0.554 ± 0.024%, respectively. Surface chemistry analyses (XPS) confirmed the oxidation of metallic Pd surfaces when treated with organic complexing agents. The type of organic complexing agent used for experimental purposes was observed to be the most important factor influencing solubility, followed by solution pH and time of extraction. The results demonstrate that metallic Pd can be transformed into more bioaccessible species in the presence of organic complexing agents which are ubiquitous in the environment.

Characterization of stainless steel surface processed using electrolytic oxidation and titanium complex ion solution

NASA Astrophysics Data System (ADS)

Kang, Yubin; Choi, Jaeyoung; Park, Jinju; Kim, Woo-Byoung; Lee, Kun-Jae

2017-09-01

This study attempts to improve the physical and chemical adhesion between metals and ceramics by using electrolytic oxidation and a titanium organic/inorganic complex ion solution on the SS-304 plate. Surface analysis confirmed the existence of the Tisbnd Osbnd Mx bonds formed by the bonding between the metal ions and the Ti oxide at the surface of the pre-processed SS plate, and improved chemical adhesion during ceramic coating was expected by confirming the presence of the carboxylic group. The adhesion was evaluated by using the ceramic coating solution in order to assess the improved adhesion of the SS plate under conditions. The results showed that both the adhesion and durability were largely improved in the sample processed with all the pre-processing steps, thus confirming that the physical and chemical adhesion between metals and ceramics can be improved by enhancing the physical roughness via electrolytic oxidation and pre-processing using a Ti complex ion solution.

Surface chemistry of ferrihydrite: Part 1. EXAFS studies of the geometry of coprecipitated and adsorbed arsenate

USGS Publications Warehouse

Waychunas, G.A.; Rea, B.A.; Fuller, C.C.; Davis, J.A.

1993-01-01

EXAFS spectra were collected on both the As and Fe K-edges from samples of two-line ferrihydrite with adsorbed (ADS) and coprecipitated (CPT) arsenate prepared over a range of conditions and arsenate surface coverages. Spectra also were collected for arsenate adsorbed on the surfaces of three FeOOH crystalline polymorphs, ?? (goethite), ?? (akaganeite), and ?? (lepidocrocite), and as a free ion in aqueous: solution. Analyses of the As EXAFS show clear evidence for inner sphere bidentate (bridging) arsenate complexes on the ferrihydrite surface and on the surfaces of the crystalline FeOOH polymorphs. The bridging arsenate is attached to adjacent apices of edge-sharing Fe oxyhydroxyl octahedra. The arsenic-iron distance at the interface (3.28 ??0.01 A ??) is close to that expected for this geometry on the FeOOH polymorph surfaces, but is slightly shorter on the ferrihydrite surfaces (3.25 ?? 0.02 A ??). Mono-dentate arsenate linkages (3.60 ?? 0.03 A ??) also occur on the ferrihydrite, but are not generally observed on the crystalline FeOOH polymorphs. The proportion of monodentate bonds appears largest for adsorption samples with the smallest As Fe molar ratio. In all cases the arsenate tetrahedral complex is relatively undistorted with As-O bonds of 1.66 ?? 0.01 A ??. Precipitation of arsenate or scorodite-like phases was not observed for any samples, all of which were prepared at a pH value of 8. The Fe EXAFS results confirm that the Fe-Fe correlations in the ferrihydrite are progressively disrupted in the CPT samples as the As Fe ratio is increased. Coherent crystallite size is probably no more than 10 A?? in diameter and no Fe oxyhydroxyl octahedra corner-sharing linkages (as would be present in FeOOH polymorphs) are observed at the largest As Fe ratios. Comparison of the number and type of Fe-Fe neighbors with the topological constraints imposed by the arsenate saturation limit in the CPT samples (about 0.7 As Fe) indicates ferrihydrite units consisting mainly of Fe oxyhydroxyl octahedra arranged in short dioctahedral chains with minimal interchain linking by octahedra corners. This is consistent with an enlarged surface area and a larger proportion of sites for bidentate arsenate bonding in CPT samples as compared to the ADS samples, which saturate with arsenate at lower As Fe ratios. The latter samples have larger crystallite sizes and a definite proportion of ferric octahedra sharing corners. The ratio of corner-sharing to edge-sharing Fe oxyhydroxyl octahedra in the ADS samples, and CPT samples with small As loadings, is very similar to what would be present in very small particles of goethite or akaganeite. The difference in the polymeric structure of ADS and CPT samples at higher As Fe ratios is due to strong arsenate bidentate adsorption that poisons the surface of particles of ferrihydrite precipitated in the presence of substantial arsenate, limiting their normal crystallization, and preventing further Fe-O-Fe polymerization. If the arsenate is applied after precipitation much less adsorption occurs since polymerization has already progressed. In both ADS and CPT samples, Fe-O-Fe polymerization increases with age, though at different rates for each type of sample. ?? 1993.

Surface effects and desorption of tetracycline supramolecular complex on bovine dentine.

PubMed

Pataro, A L; Franco, C F; Santos, V R; Cortés, M E; Sinisterra, R D

2003-03-01

The aim of this in vitro study was to evaluate the antimicrobial activity, the substantivity, and surface effects of the inclusion compound tetracycline: beta-cyclodextrin on bovine roots. The antimicrobial activity was assessed by dentine slabs which had been immersed in the inclusion complex in concentrations 8.0%, 4.0%, 2.0%, 1.0%, 0.5% and 0.25% for 5min compared to a control of tetracycline hydrochloride. Each slab was tested in a broth of overnight culture of Actinobacillus actinomycetemcomitans (Y4-FDC). The inclusion complex significantly inhibited the A. actinomycetemcomitans (p<0.01) verified at concentrations from 1.0% to 8.0%. The substantivity of tetracycline was evaluated by the measure of desorption from the slabs previously immersed in solution samples and removed at 24h intervals. The tetracycline encapsulated in beta-cyclodextrin showed a flow rate near to zero order in comparison to free tetracycline. The surface morphology determined by SEM showed a more homogeneous and integrated layer with the complex compared to the effect of free tetracycline. We concluded that the root surfaces treated with tetracycline: beta-cyclodextrin release lower concentrations of active drug over 5 days at inhibitory concentrations against A. actinomycetemcomitans with enhanced disponibility in comparison to tetracycline.

Surface-illuminant ambiguity and color constancy: effects of scene complexity and depth cues.

PubMed

Kraft, James M; Maloney, Shannon I; Brainard, David H

2002-01-01

Two experiments were conducted to study how scene complexity and cues to depth affect human color constancy. Specifically, two levels of scene complexity were compared. The low-complexity scene contained two walls with the same surface reflectance and a test patch which provided no information about the illuminant. In addition to the surfaces visible in the low-complexity scene, the high-complexity scene contained two rectangular solid objects and 24 paper samples with diverse surface reflectances. Observers viewed illuminated objects in an experimental chamber and adjusted the test patch until it appeared achromatic. Achromatic settings made tinder two different illuminants were used to compute an index that quantified the degree of constancy. Two experiments were conducted: one in which observers viewed the stimuli directly, and one in which they viewed the scenes through an optical system that reduced cues to depth. In each experiment, constancy was assessed for two conditions. In the valid-cue condition, many cues provided valid information about the illuminant change. In the invalid-cue condition, some image cues provided invalid information. Four broad conclusions are drawn from the data: (a) constancy is generally better in the valid-cue condition than in the invalid-cue condition: (b) for the stimulus configuration used, increasing image complexity has little effect in the valid-cue condition but leads to increased constancy in the invalid-cue condition; (c) for the stimulus configuration used, reducing cues to depth has little effect for either constancy condition: and (d) there is moderate individual variation in the degree of constancy exhibited, particularly in the degree to which the complexity manipulation affects performance.

Probing the interaction of U (VI) with phosphonate-functionalized mesoporous silica using solid-state NMR spectroscopy

DOE PAGES

Uribe, Eva C.; Mason, Harris E.; Shusterman, Jennifer A.; ...

2016-05-30

The fundamental interaction of U (VI) with diethylphosphatoethyl triethoxysilane functionalized SBA-15 mesoporous silica is studied by macroscopic batch experiments and solid-state NMR spectroscopy. DPTS-functionalized silica has been shown to extract U (VI) from nitric acid solutions at or above pH 3. Extraction is dependent on pH and ionic strength. Single-pulse 31P NMR on U (VI) contacted samples revealed that U (VI)only interacts with a fraction of the ligands present on the surface. At pH 4 the U (VI) extraction capacity of the material is limited to 27–37% of the theoretical capacity, based on ligand loading. We combined single pulse 31Pmore » NMR on U (VI)-contacted samples with batch studies to measure a ligand-to-metal ratio of approximately 2 : 1 at pH 3 and 4. Batch studies and cross-polarization NMR measurements reveal that U (VI) binds to deprotonated phosphonate and/or silanol sites. We use 31P– 31P DQ-DRENAR NMR studies to compare the average dipolar coupling between phosphorus spins for both U (VI)-complexed and non-complexed ligand environments. Furthermore, these measurements reveal that U (VI) extraction is not limited by inadequate surface distribution of ligands, but rather by low stability of the surface phosphonate complex.« less

Probing the interaction of U (VI) with phosphonate-functionalized mesoporous silica using solid-state NMR spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uribe, Eva C.; Mason, Harris E.; Shusterman, Jennifer A.

The fundamental interaction of U (VI) with diethylphosphatoethyl triethoxysilane functionalized SBA-15 mesoporous silica is studied by macroscopic batch experiments and solid-state NMR spectroscopy. DPTS-functionalized silica has been shown to extract U (VI) from nitric acid solutions at or above pH 3. Extraction is dependent on pH and ionic strength. Single-pulse 31P NMR on U (VI) contacted samples revealed that U (VI)only interacts with a fraction of the ligands present on the surface. At pH 4 the U (VI) extraction capacity of the material is limited to 27–37% of the theoretical capacity, based on ligand loading. We combined single pulse 31Pmore » NMR on U (VI)-contacted samples with batch studies to measure a ligand-to-metal ratio of approximately 2 : 1 at pH 3 and 4. Batch studies and cross-polarization NMR measurements reveal that U (VI) binds to deprotonated phosphonate and/or silanol sites. We use 31P– 31P DQ-DRENAR NMR studies to compare the average dipolar coupling between phosphorus spins for both U (VI)-complexed and non-complexed ligand environments. Furthermore, these measurements reveal that U (VI) extraction is not limited by inadequate surface distribution of ligands, but rather by low stability of the surface phosphonate complex.« less

Levels of dissolved zinc and cadmium in some surface waters of western Nigeria

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fatoki, O.S.

1993-12-31

Dissolved zinc and cadmium in some surface waters of Western Nigeria were separated and quantified using anion exchange of their chloro-complexes and detected by atomic absorption spectrophotometry. Concentrations of zinc and cadmium found in tested water samples ranged from 0.99 to 2.97 mg L{sup {minus}1} and 0.13 to 0.17 mg L{sup {minus}1}, respectively. 35 refs., 2 tabs.

Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.

PubMed

Awasthi, Shalini; Kapil, Venkat; Nair, Nisanth N

2016-06-15

Metadynamics (MTD) is a very powerful technique to sample high-dimensional free energy landscapes, and due to its self-guiding property, the method has been successful in studying complex reactions and conformational changes. MTD sampling is based on filling the free energy basins by biasing potentials and thus for cases with flat, broad, and unbound free energy wells, the computational time to sample them becomes very large. To alleviate this problem, we combine the standard Umbrella Sampling (US) technique with MTD to sample orthogonal collective variables (CVs) in a simultaneous way. Within this scheme, we construct the equilibrium distribution of CVs from biased distributions obtained from independent MTD simulations with umbrella potentials. Reweighting is carried out by a procedure that combines US reweighting and Tiwary-Parrinello MTD reweighting within the Weighted Histogram Analysis Method (WHAM). The approach is ideal for a controlled sampling of a CV in a MTD simulation, making it computationally efficient in sampling flat, broad, and unbound free energy surfaces. This technique also allows for a distributed sampling of a high-dimensional free energy surface, further increasing the computational efficiency in sampling. We demonstrate the application of this technique in sampling high-dimensional surface for various chemical reactions using ab initio and QM/MM hybrid molecular dynamics simulations. Further, to carry out MTD bias reweighting for computing forward reaction barriers in ab initio or QM/MM simulations, we propose a computationally affordable approach that does not require recrossing trajectories. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

An assessment of butyltins and metals in sediment cores from the St. Thomas East End Reserves, USVI.

PubMed

Hartwell, S Ian; Apeti, Dennis A; Mason, Andrew L; Pait, Anthony S

2016-11-01

Tributyltin (TBT) concentrations near a marina complex in Benner Bay on St. Thomas, US Virgin Islands, were elevated relative to other areas in a larger study of the southeastern shore of the island. At the request of the USVI Coastal Zone Management Program, sediment cores and surface sediment samples were collected to better define the extent and history of TBT deposition in the vicinity of Benner Bay. The sediment cores were sectioned into 2-cm intervals and dated with 210 Pb and 137 Cs. The core sections and the surface samples were analyzed for butyltins and 16 elements. Deposition rates varied from 0.07-5.0 mm/year, and were highest in the marina complex. Core ages ranged from 54 to 200 years. The bottoms of the cores contained shell hash, but the top layers all consisted of much finer material. Surface concentrations of TBT exceeded 2000 ng Sn/g (dry weight) at two locations. At a depth of 8 cm TBT exceeded 8800 ng Sn/g in the marina complex sediment. Based on the ratio of tributyltin to total butyltins, it appears that the marina sediments are the source of contamination of the surrounding area. There is evidence that vessels from neighboring islands may also be a source of fresh TBT. Copper concentrations increase over time up to the present. Gradients of virtually all metals and metalloids extended away from the marina complex. NOAA sediment quality guidelines were exceeded for As, Pb, Cu, Zn, and Hg.

Investigation of Mechanical, Microstructural and Corrosion behaviour of Titanium subjected to Laser Peening with and without Ablation

NASA Astrophysics Data System (ADS)

Ranjith Kumar, G.; Sowmya Joshi, K.; Rajyalakshmi, G.; Kalainathan, S.; Prabhakaran, S.

2018-02-01

Present competitive world is looking for Components with high strength and fatigue resistance finding their applications in aerospace, turbine parts and especially bio-medical devices with high bio-compatibility. Advanced surface engineering techniques are required to produce parts of higher complexities and desirable surface qualities. Laser peening stood first in a row of all various surface treatments of metallic component. This paper discusses about the mechanical properties like hardness and roughness then the surface morphology and the corrosion behaviour of the laser peened titanium samples with and without coating.

Phase aberration compensation of digital holographic microscopy based on least squares surface fitting

NASA Astrophysics Data System (ADS)

Di, Jianglei; Zhao, Jianlin; Sun, Weiwei; Jiang, Hongzhen; Yan, Xiaobo

2009-10-01

Digital holographic microscopy allows the numerical reconstruction of the complex wavefront of samples, especially biological samples such as living cells. In digital holographic microscopy, a microscope objective is introduced to improve the transverse resolution of the sample; however a phase aberration in the object wavefront is also brought along, which will affect the phase distribution of the reconstructed image. We propose here a numerical method to compensate for the phase aberration of thin transparent objects with a single hologram. The least squares surface fitting with points number less than the matrix of the original hologram is performed on the unwrapped phase distribution to remove the unwanted wavefront curvature. The proposed method is demonstrated with the samples of the cicada wings and epidermal cells of garlic, and the experimental results are consistent with that of the double exposure method.

Nanoparticles in natural systems I: The effective reactive surface area of the natural oxide fraction in field samples

NASA Astrophysics Data System (ADS)

Hiemstra, Tjisse; Antelo, Juan; Rahnemaie, Rasoul; van Riemsdijk, Willem H.

2010-01-01

Information on the particle size and reactive surface area of natural samples is essential for the application of surface complexation models (SCM) to predict bioavailability, toxicity, and transport of elements in the natural environment. In addition, this information will be of great help to enlighten views on the formation, stability, and structure of nanoparticle associations of natural organic matter (NOM) and natural oxide particles. Phosphate is proposed as a natively present probe ion to derive the effective reactive surface area of natural samples. In the suggested method, natural samples are equilibrated (⩾10 days) with 0.5 M NaHCO 3 (pH = 8.5) at various solid-solution ratios. This matrix fixes the pH and ionic strength, suppresses the influence of Ca 2+ and Mg 2+ ions by precipitation these in solid carbonates, and removes NOM due to the addition of activated carbon in excess, collectively leading to the dominance of the PO 4-CO 3 interaction in the system. The data have been interpreted with the charge distribution (CD) model, calibrated for goethite, and the analysis results in an effective reactive surface area (SA) and a reversibly bound phosphate loading Γ for a series of top soils. The oxidic SA varies between about 3-30 m 2/g sample for a large series of representative agricultural top soils. Scaling of our data to the total iron and aluminum oxide content (dithionite-citrate-bicarbonate extractable), results in the specific surface area between about 200-1200 m 2/g oxide for most soils, i.e. the oxide particles are nano-sized with an equivalent diameter in the order of ˜1-10 nm if considered as non-porous spheres. For the top soils, the effective surface area and the soil organic carbon fraction are strongly correlated. The oxide particles are embedded in a matrix of organic carbon (OC), equivalent to ˜1.4 ± 0.2 mg OC/m 2 oxide for many soils of the collection, forming a NOM-mineral nanoparticle association with an average NOM volume fraction of ˜80%. The average mass density of such a NOM-mineral association is ˜1700 ± 100 kg/m 3 (i.e. high-density NOM). The amount of reversibly bound phosphate is rather close to the amount of phosphate that is extractable with oxalate. The phosphate loading varies remarkably ( Γ ≈ 1-3 μmol/m 2 oxide) in the samples. As discussed in part II of this paper series ( Hiemstra et al., 2010), the phosphate loading ( Γ) of field samples is suppressed by surface complexation of NOM, where hydrophilic, fulvic, and humic acids act as a competitor for (an)ions via site competition and electrostatic interaction.

Sample entropy and regularity dimension in complexity analysis of cortical surface structure in early Alzheimer's disease and aging.

PubMed

Chen, Ying; Pham, Tuan D

2013-05-15

We apply for the first time the sample entropy (SampEn) and regularity dimension model for measuring signal complexity to quantify the structural complexity of the brain on MRI. The concept of the regularity dimension is based on the theory of chaos for studying nonlinear dynamical systems, where power laws and entropy measure are adopted to develop the regularity dimension for modeling a mathematical relationship between the frequencies with which information about signal regularity changes in various scales. The sample entropy and regularity dimension of MRI-based brain structural complexity are computed for early Alzheimer's disease (AD) elder adults and age and gender-matched non-demented controls, as well as for a wide range of ages from young people to elder adults. A significantly higher global cortical structure complexity is detected in AD individuals (p<0.001). The increase of SampEn and the regularity dimension are also found to be accompanied with aging which might indicate an age-related exacerbation of cortical structural irregularity. The provided model can be potentially used as an imaging bio-marker for early prediction of AD and age-related cognitive decline. Copyright © 2013 Elsevier B.V. All rights reserved.

Complex conductivity of volcanic rocks and the geophysical mapping of alteration in volcanoes

NASA Astrophysics Data System (ADS)

Ghorbani, A.; Revil, A.; Coperey, A.; Soueid Ahmed, A.; Roque, S.; Heap, M. J.; Grandis, H.; Viveiros, F.

2018-05-01

Induced polarization measurements can be used to image alteration at the scale of volcanic edifices to a depth of few kilometers. Such a goal cannot be achieved with electrical conductivity alone, because too many textural and environmental parameters influence the electrical conductivity of volcanic rocks. We investigate the spectral induced polarization measurements (complex conductivity) in the frequency band 10 mHz-45 kHz of 85 core samples from five volcanoes: Merapi and Papandayan in Indonesia (32 samples), Furnas in Portugal (5 samples), Yellowstone in the USA (26 samples), and Whakaari (White Island) in New Zealand (22 samples). This collection of samples covers not only different rock compositions (basaltic andesite, andesite, trachyte and rhyolite), but also various degrees of alteration. The specific surface area is found to be correlated to the cation exchange capacity (CEC) of the samples measured by the cobalthexamine method, both serving as rough proxies of the hydrothermal alteration experienced by these materials. The in-phase (real) conductivity of the samples is the sum of a bulk contribution associated with conduction in the pore network and a surface conductivity that increases with alteration. The quadrature conductivity and the normalized chargeability are two parameters related to the polarization of the electrical double layer coating the minerals of the volcanic rocks. Both parameters increase with the degree of alteration. The surface conductivity, the quadrature conductivity, and the normalized chargeability (defined as the difference between the in-phase conductivity at high and low frequencies) are linearly correlated to the CEC normalized by the bulk tortuosity of the pore space. The effects of temperature and pyrite-content are also investigated and can be understood in terms of a physics-based model. Finally, we performed a numerical study of the use of induced polarization to image the normalized chargeability of a volcanic edifice. Induced polarization tomography can be used to map alteration of volcanic edifices with applications to geohazard mapping.

Derivatizing weak polyelectrolytes--solution properties, self-aggregation, and association with anionic surfaces of hydrophobically modified poly(ethylene imine).

PubMed

Griffiths, Peter C; Paul, Alison; Fallis, Ian A; Wellappili, Champa; Murphy, Damien M; Jenkins, Robert; Waters, Sarah J; Nilmini, Renuka; Heenan, Richard K; King, Stephen M

2007-10-15

The physical properties of weak polyelectrolytes may be tailored via hydrophobic modification to exhibit useful properties under appropriate pH and ionic strength conditions as a consequence of the often inherently competing effects of electrostatics and hydrophobicity. Pulsed-gradient spin-echo NMR (PGSE-NMR), electron paramagnetic resonance (EPR), small-angle neutron scattering (SANS) surface tension, fluorescence, and pH titration have been used to examine the solution conformation and aggregation behavior of a series of hydrophobically modified hyperbranched poly(ethylene imine) (PEI) polymers in aqueous solution, and their interaction with sodium dodecylsulfate (SDS). PGSE-NMR gave a particularly insightful picture of the apparent molecular weight distribution. The presence of the hydrophobes led to a lower effective charge on the polymer at any given pH, compared to the (parent) nonmodified samples. Analysis of the SANS data showed that the propensity to form highly elliptical or rod-like aggregates at higher pHs, reflecting both the changes in protonation behavior induced by the hydrophobic modification and an hydrophobic interaction, but that these structures were disrupted with decreasing pH (increasing charge). The parent samples were not surface active yet the hydrophobically modified samples show pronounced surface activity and the presence of small hydrophobic domains. The surface activity increased with an increase in the degree of modification. On addition of SDS, the onset of the formation of polymer/surfactant complexes was insensitive to the degree of modification with the resultant PEI/SDS complexes resembling the size and shape of simple SDS micelles. Indeed, the presence of the SDS effectively nullifies the effects of the hydrophobe. Hydrophobic modification is therefore a viable option to tailor pH dependent properties, whose effects may be removed by the presence of surfactant.

Discrete model of gas-free spin combustion of a powder mixture

NASA Astrophysics Data System (ADS)

Klimenok, Kirill L.; Rashkovskiy, Sergey A.

2015-01-01

We propose a discrete model of gas-free combustion of a cylindrical sample which reproduces in detail a spin combustion mode. It is shown that a spin combustion, in its classical sense as a continuous spiral motion of heat release zones on the surface of the sample, does not exist. Such a concept has arisen due to the misinterpretation of the experimental data. This study shows that in fact a spinlike combustion is realized, at which two energy release zones appear on the lateral surface of the sample and propagate circumferentially in the opposite directions. After some time two new heat release zones are formed on the next layer of the cylinder surface and make the same counter-circular motion. This process continues periodically and from a certain angle it looks like a spiral movement of the luminous zone along the lateral surface of the sample. The model shows that on approaching the combustion limit the process becomes more complicated and the spinlike combustion mode shifts to a more complex mode with multiple zones of heat release moving in different directions along the lateral surface. It is shown that the spin combustion mode appears due to asymmetry of initial conditions and always transforms into a layer-by-layer combustion mode with time.

Discrete model of gas-free spin combustion of a powder mixture.

PubMed

Klimenok, Kirill L; Rashkovskiy, Sergey A

2015-01-01

We propose a discrete model of gas-free combustion of a cylindrical sample which reproduces in detail a spin combustion mode. It is shown that a spin combustion, in its classical sense as a continuous spiral motion of heat release zones on the surface of the sample, does not exist. Such a concept has arisen due to the misinterpretation of the experimental data. This study shows that in fact a spinlike combustion is realized, at which two energy release zones appear on the lateral surface of the sample and propagate circumferentially in the opposite directions. After some time two new heat release zones are formed on the next layer of the cylinder surface and make the same counter-circular motion. This process continues periodically and from a certain angle it looks like a spiral movement of the luminous zone along the lateral surface of the sample. The model shows that on approaching the combustion limit the process becomes more complicated and the spinlike combustion mode shifts to a more complex mode with multiple zones of heat release moving in different directions along the lateral surface. It is shown that the spin combustion mode appears due to asymmetry of initial conditions and always transforms into a layer-by-layer combustion mode with time.

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: Coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solares, Santiago D.

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surfacemore » as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single-and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. As a result, a multifrequency AFM simulation tool based on the above sample model is provided as supporting information.« less

Nanoscale effects in the characterization of viscoelastic materials with atomic force microscopy: Coupling of a quasi-three-dimensional standard linear solid model with in-plane surface interactions

DOE PAGES

Solares, Santiago D.

2016-04-15

Significant progress has been accomplished in the development of experimental contact-mode and dynamic-mode atomic force microscopy (AFM) methods designed to measure surface material properties. However, current methods are based on one-dimensional (1D) descriptions of the tip-sample interaction forces, thus neglecting the intricacies involved in the material behavior of complex samples (such as soft viscoelastic materials) as well as the differences in material response between the surface and the bulk. In order to begin to address this gap, a computational study is presented where the sample is simulated using an enhanced version of a recently introduced model that treats the surfacemore » as a collection of standard-linear-solid viscoelastic elements. The enhanced model introduces in-plane surface elastic forces that can be approximately related to a two-dimensional (2D) Young's modulus. Relevant cases are discussed for single-and multifrequency intermittent-contact AFM imaging, with focus on the calculated surface indentation profiles and tip-sample interaction force curves, as well as their implications with regards to experimental interpretation. A variety of phenomena are examined in detail, which highlight the need for further development of more physically accurate sample models that are specifically designed for AFM simulation. As a result, a multifrequency AFM simulation tool based on the above sample model is provided as supporting information.« less

Spiraling in Urban Streams: A Novel Approach to Link Geomorphic Structure with Ecosystem Function

NASA Astrophysics Data System (ADS)

Bean, R. A.; Lafrenz, M. D.

2011-12-01

The goal of this study is to quantify the relationship between channel complexity and nutrient spiraling along several reaches of an urbanized watershed in Portland, Oregon. Much research points to the effect urbanization has on watershed hydrology and nutrient loading at the watershed scale for various sized catchments. However the flux of nutrients over short reaches within a stream channel has been less studied because of the effort and costs associated with fieldwork and subsequent laboratory analysis of both surface and hyporheic water samples. In this study we explore a novel approach at capturing connectivity though nutrient spiraling along several short reaches (less than 100-meter) within the highly urbanized Fanno Creek watershed (4400 hectares). We measure channel complexity-sinuosity, bed material texture, organic matter-and use these measurements to determine spatial autocorrelation of 50 reaches in Fanno Creek, a small, urban watershed in Portland, Oregon. Using ion-selective electrodes, the fluxes of nitrate and ammonia are measured within each reach, which when combined with channel geometry and velocity measurements allow us to transform the values of nitrate and ammonia fluxes into spiraling metrics. Along each sampled reach, we collected three surface water samples to characterize nutrient amounts at the upstream, midstream, and downstream position of the reach. Two additional water samples were taken from the left and right bank hyporheic zones at a depth just below the armor layer of the channel bed using mini-piezometers and a hand-pumped vacuum device, which we constructed for this purpose. Adjacent to the hyporheic samples soil cores were collected and analyzed for organic matter composition, bulk density, and texture. We hypothesize that spiral metrics will respond significantly to the measured channel complexity values and will be a more robust predictor of nutrient flux than land cover characteristics in the area draining to each reach. Initial results show significant differences in hyporheic and surface water concentrations within the same reach indicating that sources and sinks of mineral nitrogen can be found within stream channels over very short distances. The implication of this study is that channel complexity is an important driver of nutrient flux in a watershed, and that this technique can be applied in future studies to better characterize the ecosystem services of stream channels over short reaches to entire catchments.

The roles of protein disulphide isomerase family A, member 3 (ERp57) and surface thiol/disulphide exchange in human spermatozoa-zona pellucida binding.

PubMed

Wong, Chi-Wai; Lam, Kevin K W; Lee, Cheuk-Lun; Yeung, William S B; Zhao, Wei E; Ho, Pak-Chung; Ou, Jian-Ping; Chiu, Philip C N

2017-04-01

Are multimeric sperm plasma membrane protein complexes, ERp57 and sperm surface thiol content involved in human spermatozoa-zona pellucida (ZP) interaction? ERp57 is a component of a multimeric spermatozoa-ZP receptor complex involved in regulation of human spermatozoa-ZP binding via up-regulation of sperm surface thiol content. A spermatozoon acquires its fertilization capacity within the female reproductive tract by capacitation. Spermatozoa-ZP receptor is suggested to be a composite structure that is assembled into a functional complex during capacitation. Sperm surface thiol content is elevated during capacitation. ERp57 is a protein disulphide isomerase that modulates the thiol-disulphide status of proteins. The binding ability and components of protein complexes in extracted membrane protein fractions of spermatozoa were studied. The roles of capacitation, thiol-disulphide reagent treatments and ERp57 on sperm functions and sperm surface thiol content were assessed. Spermatozoa were obtained from semen samples from normozoospermic men. Human oocytes were obtained from an assisted reproduction programme. Blue native polyacrylamide gel electrophoresis, western ligand blotting and mass spectrometry were used to identify the components of solubilized ZP/ZP3-binding complexes. The localization and expression of sperm surface thiol and ERp57 were studied by immunostaining and sperm surface protein biotinylation followed by western blotting. Sperm functions were assessed by standard assays. Several ZP-binding complexes were isolated from the cell membrane of capacitated spermatozoa. ERp57 was a component of one of these complexes. Capacitation significantly increased the sperm surface thiol content, acrosomal thiol distribution and ERp57 expression on sperm surface. Sperm surface thiol and ERp57 immunoreactivity were localized to the acrosomal region of spermatozoa, a region responsible for ZP-binding. Up-regulation of the surface thiol content or ERp57 surface expression in vitro stimulated ZP-binding capacity of human spermatozoa. Blocking of ERp57 function by specific antibody or inhibitors against ERp57 reduced the surface thiol content and ZP-binding capacity of human spermatozoa. N/A. The mechanisms by which up-regulation of surface thiol content stimulates spermatozoa-ZP binding have not been depicted. Thiol-disulphide exchange is a crucial event in capacitation. ERp57 modulates the event and the subsequent fertilization process. Modulation of the surface thiol content of the spermatozoa of subfertile men may help to increase fertilization rate in assisted reproduction. This work was supported by The Hong Kong Research Grant Council Grant HKU764611 and HKU764512M to P.C.N.C. The authors have no competing interests. © The Author 2017. Published by Oxford University Press on behalf of the European Society of Human Reproduction and Embryology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com

Spectral refractive index assessment of turbid samples by combining spatial frequency near-infrared spectroscopy with Kramers-Kronig analysis

NASA Astrophysics Data System (ADS)

Meitav, Omri; Shaul, Oren; Abookasis, David

2018-03-01

A practical algorithm for estimating the wavelength-dependent refractive index (RI) of a turbid sample in the spatial frequency domain with the aid of Kramers-Kronig (KK) relations is presented. In it, phase-shifted sinusoidal patterns (structured illumination) are serially projected at a high spatial frequency onto the sample surface (mouse scalp) at different near-infrared wavelengths while a camera mounted normally to the sample surface captures the reflected diffuse light. In the offline analysis pipeline, recorded images at each wavelength are converted to spatial absorption maps by logarithmic function, and once the absorption coefficient information is obtained, the imaginary part (k) of the complex RI (CRI), based on Maxell's equations, can be calculated. Using the data represented by k, the real part of the CRI (n) is then resolved by KK analysis. The wavelength dependence of n ( λ ) is then fitted separately using four standard dispersion models: Cornu, Cauchy, Conrady, and Sellmeier. In addition, three-dimensional surface-profile distribution of n is provided based on phase profilometry principles and a phase-unwrapping-based phase-derivative-variance algorithm. Experimental results demonstrate the capability of the proposed idea for sample's determination of a biological sample's RI value.

Zur chemie der marsoberfläche

USGS Publications Warehouse

Keil, Klaus; Clark, Benton C.; Baird, A.K.; Toulmin, Priestley; Rose, Harry J.

1978-01-01

Analyses of 13 samples of Martian surface materials with the Viking X-ray fluorescence spectrometers show SiO2 similar to that of terrestrial mafic rocks, whereas Fe2O3, Cl, and S are higher and Al2O3, K2O, Rb, Sr, Y, and Zr are lower. Low totals suggest presence of CO2, H2O, and Na2O. Duricrust fragments are higher in S than fines, but samples from both landing sites are surprisingly similar. We suggest that Martian surface materials are aeolian deposits of complex mixtures of weathering products of maficultramafic rocks, possibly consisting of iron-rich clays, sulfates, iron oxides, carbonates, and chlorides.

The effect of mechano-chemical treatment on structural properties of the drawn TiNi-based alloy wire

NASA Astrophysics Data System (ADS)

Anikeev, Sergey; Hodorenko, Valentina; Gunther, Victor; Chekalkin, Timofey; Kang, Ji-hoon; Kang, Seung-baik

2018-01-01

The rapid development of biomedical materials with the advanced functional characteristics is a challenging task because of the growing demands for better material properties in-clinically employed. Modern medical devices that can be implanted into humans have evolved steadily by replacing TiNi-based alloys for titanium and stainless steel. In this study, the effect of the mechano-chemical treatment on structural properties of the matrix and surface layer of the drawn TiNi-based alloy wire was assessed. A range of samples have been prepared using different drawing and etching procedures. It is clear from the results obtained that the fabricated samples show a composite structure comprising the complex matrix and textured oxycarbonitride spitted surface layer. The suggested method of surface treatment is a concept to increase the surface roughness for the enhanced bio-performance and better in vivo integration.

Robust Optimization Design for Turbine Blade-Tip Radial Running Clearance using Hierarchically Response Surface Method

NASA Astrophysics Data System (ADS)

Zhiying, Chen; Ping, Zhou

2017-11-01

Considering the robust optimization computational precision and efficiency for complex mechanical assembly relationship like turbine blade-tip radial running clearance, a hierarchically response surface robust optimization algorithm is proposed. The distribute collaborative response surface method is used to generate assembly system level approximation model of overall parameters and blade-tip clearance, and then a set samples of design parameters and objective response mean and/or standard deviation is generated by using system approximation model and design of experiment method. Finally, a new response surface approximation model is constructed by using those samples, and this approximation model is used for robust optimization process. The analyses results demonstrate the proposed method can dramatic reduce the computational cost and ensure the computational precision. The presented research offers an effective way for the robust optimization design of turbine blade-tip radial running clearance.

A Sample Handling System for Mars Sample Return - Design and Status

NASA Astrophysics Data System (ADS)

Allouis, E.; Renouf, I.; Deridder, M.; Vrancken, D.; Gelmi, R.; Re, E.

2009-04-01

A mission to return atmosphere and soil samples form the Mars is highly desired by planetary scientists from around the world and space agencies are starting preparation for the launch of a sample return mission in the 2020 timeframe. Such a mission would return approximately 500 grams of atmosphere, rock and soil samples to Earth by 2025. Development of a wide range of new technology will be critical to the successful implementation of such a challenging mission. Technical developments required to realise the mission include guided atmospheric entry, soft landing, sample handling robotics, biological sealing, Mars atmospheric ascent sample rendezvous & capture and Earth return. The European Space Agency has been performing system definition studies along with numerous technology development studies under the framework of the Aurora programme. Within the scope of these activities Astrium has been responsible for defining an overall sample handling architecture in collaboration with European partners (sample acquisition and sample capture, Galileo Avionica; sample containment and automated bio-sealing, Verhaert). Our work has focused on the definition and development of the robotic systems required to move the sample through the transfer chain. This paper presents the Astrium team's high level design for the surface transfer system and the orbiter transfer system. The surface transfer system is envisaged to use two robotic arms of different sizes to allow flexible operations and to enable sample transfer over relatively large distances (~2 to 3 metres): The first to deploy/retract the Drill Assembly used for sample collection, the second for the transfer of the Sample Container (the vessel containing all the collected samples) from the Drill Assembly to the Mars Ascent Vehicle (MAV). The sample transfer actuator also features a complex end-effector for handling the Sample Container. The orbiter transfer system will transfer the Sample Container from the capture mechanism through a bio-sealing system to the Earth Return Capsule (ERC) and has distinctly different requirements from the surface transfer system. The operations required to transfer the samples to the ERC are clearly defined and make use of mechanisms specifically designed for the job rather than robotic arms. Though it is mechanical rather than robotic, the design of the orbiter transfer system is very complex in comparison to most previous missions to fulfil all the scientific and technological requirements. Further mechanisms will be required to lock the samples into the ERC and to close the door at the rear of the ERC through which the samples have been inserted. Having performed this overall definition study, Astrium is now leading the next step of the development of the MSR sample handling: the Mars Surface Sample Transfer and Manipulation project (MSSTM). Organised in two phases, the project will re-evaluate in phase 1 the output of the previous study in the light of new inputs (e.g. addition of a rover) and investigate further the architectures and systems involved in the sample transfer chain while identifying the critical technologies. The second phase of the project will concentrate on the prototyping of a number of these key technologies with the goal of providing an end-to end validation of the surface sample transfer concept.

Material property analytical relations for the case of an AFM probe tapping a viscoelastic surface containing multiple characteristic times

PubMed Central

López-Guerra, Enrique A

2017-01-01

We explore the contact problem of a flat-end indenter penetrating intermittently a generalized viscoelastic surface, containing multiple characteristic times. This problem is especially relevant for nanoprobing of viscoelastic surfaces with the highly popular tapping-mode AFM imaging technique. By focusing on the material perspective and employing a rigorous rheological approach, we deliver analytical closed-form solutions that provide physical insight into the viscoelastic sources of repulsive forces, tip–sample dissipation and virial of the interaction. We also offer a systematic comparison to the well-established standard harmonic excitation, which is the case relevant for dynamic mechanical analysis (DMA) and for AFM techniques where tip–sample sinusoidal interaction is permanent. This comparison highlights the substantial complexity added by the intermittent-contact nature of the interaction, which precludes the derivation of straightforward equations as is the case for the well-known harmonic excitations. The derivations offered have been thoroughly validated through numerical simulations. Despite the complexities inherent to the intermittent-contact nature of the technique, the analytical findings highlight the potential feasibility of extracting meaningful viscoelastic properties with this imaging method. PMID:29114450

Molecular docking of superantigens with class II major histocompatibility complex proteins.

PubMed

Olson, M A; Cuff, L

1997-01-01

The molecular recognition of two superantigens with class II major histocompatibility complex molecules was simulated by using protein-protein docking. Superantigens studied were staphylococcal enterotoxin B (SEB) and toxic shock syndrome toxin-1 (TSST-1) in their crystallographic assemblies with HLA-DR1. Rigid-body docking was performed sampling configurational space of the interfacial surfaces by employing a strategy of partitioning the contact regions on HLA-DR1 into separate molecular recognition units. Scoring of docked conformations was based on an electrostatic continuum model evaluated with the finite-difference Poisson-Boltzmann method. Estimates of nonpolar contributions were derived from the buried molecular surface areas. We found for both superantigens that docking the HLA-DR1 surface complementary with the SEB and TSST-1 contact regions containing a homologous hydrophobic surface loop provided sufficient recognition for the reconstitution of native-like conformers exhibiting the highest-scoring free energies. For the SEB complex, the calculations were successful in reproducing the total association free energy. A comparison of the free-energy determinants of the conserved hydrophobic contact residue indicates functional similarity between the two proteins for this interface. Though both superantigens share a common global association mode, differences in binding topology distinguish the conformational specificities underlying recognition.

In vitro platelet activation, aggregation and platelet-granulocyte complex formation induced by surface modified single-walled carbon nanotubes.

PubMed

Fent, János; Bihari, Péter; Vippola, Minnamari; Sarlin, Essi; Lakatos, Susan

2015-08-01

Surface modification of single-walled carbon nanotubes (SWCNTs) such as carboxylation, amidation, hydroxylation and pegylation is used to reduce the nanotube toxicity and render them more suitable for biomedical applications than their pristine counterparts. Toxicity can be manifested in platelet activation as it has been shown for SWCNTs. However, the effect of various surface modifications on the platelet activating potential of SWCNTs has not been tested yet. In vitro platelet activation (CD62P) as well as the platelet-granulocyte complex formation (CD15/CD41 double positivity) in human whole blood were measured by flow cytometry in the presence of 0.1mg/ml of pristine or various surface modified SWCNTs. The effect of various SWCNTs was tested by whole blood impedance aggregometry, too. All tested SWCNTs but the hydroxylated ones activate platelets and promote platelet-granulocyte complex formation in vitro. Carboxylated, pegylated and pristine SWCNTs induce whole blood aggregation as well. Although pegylation is preferred from biomedical point of view, among the samples tested by us pegylated SWCNTs induced far the most prominent activation and a well detectable aggregation of platelets in whole blood. Copyright © 2015 Elsevier Ltd. All rights reserved.

Science Enabling Exploration: Using LRO to Prepare for Future Missions

NASA Technical Reports Server (NTRS)

Lawrence, S. J.; Jolliff, B. L.; Stopar, J. D.; Speyerer, E. J.; Petro, N. E.

2016-01-01

Discoveries from LRO have transformed our understanding of the Moon, but LRO's instruments were originally designed to collect the measurements required to enable future lunar surface exploration. A high lunar exploration priority is the collection of new samples and their return to Earth for comprehensive analysis. The importance of sample return from South Pole-Aitken is well-established [Jolliff et al., this conference], but there are numerous other locations where sample return will yield important advances in planetary science. Using new LRO data, we have defined an achievability envelope based on the physical characteristics of successful lunar landing sites. Those results were then used to define 1km x 1km regions of interest where sample return could be executed, including: the basalt flows in Oceanus Procellarum (22.1N, 53.9W), the Gruithuisen Domes (36.1N, 39.7W), the Dewar cryptomare (2.2S, 166.8E), the Aristarchus pyroclastic deposit (24.8N, 48.5W), the Sulpicius Gallus formation (19.9N, 10.3E), the Sinus Aestuum pyroclastic deposit (5.2N, 9.2W), the Compton-Belkovich volcanic complex (61.5N, 99.9E), the Ina Irregular Mare Patch (18.7N, 5.3E), and the Marius Hills volcanic complex (13.4N, 55.9W). All of these locations represent safe landing sites where sample returns are needed to advance our understanding of the evolution of the lunar interior and the timescales of lunar volcanism. If LRO is still active when any future mission reaches the surface, LRO's capability to rapidly place surface activities into broader geologic context will provide operational advantages. LRO remains a unique strategic asset that continues to address the needs of future missions.

Influence of pH, layer charge location and crystal thickness distribution on U(VI) sorption onto heterogeneous dioctahedral smectite.

PubMed

Guimarães, Vanessa; Rodríguez-Castellón, Enrique; Algarra, Manuel; Rocha, Fernando; Bobos, Iuliu

2016-11-05

The UO2(2+) adsorption on smectite (samples BA1, PS2 and PS3) with a heterogeneous structure was investigated at pH 4 (I=0.02M) and pH 6 (I=0.2M) in batch experiments, with the aim to evaluate the influence of pH, layer charge location and crystal thickness distribution. Mean crystal thickness distribution of smectite crystallite used in sorption experiments range from 4.8nm (sample PS2), to 5.1nm (sample PS3) and, to 7.4nm (sample BA1). Smaller crystallites have higher total surface area and sorption capacity. Octahedral charge location favor higher sorption capacity. The sorption isotherms of Freundlich, Langmuir and SIPS were used to model the sorption experiments. The surface complexation and cation exchange reactions were modeled using PHREEQC-code to describe the UO2(2+) sorption on smectite. The amount of UO2(2+) adsorbed on smectite samples decreased significantly at pH 6 and higher ionic strength, where the sorption mechanism was restricted to the edge sites of smectite. Two binding energy components at 380.8±0.3 and 382.2±0.3eV, assigned to hydrated UO2(2+) adsorbed by cation exchange and by inner-sphere complexation on the external sites at pH 4, were identified after the U4f7/2 peak deconvolution by X-photoelectron spectroscopy. Also, two new binding energy components at 380.3±0.3 and 381.8±0.3eV assigned to AlOUO2(+) and SiOUO2(+) surface species were observed at pH 6. Copyright © 2016 Elsevier B.V. All rights reserved.

Interspecific scaling patterns of talar articular surfaces within primates and their closest living relatives

PubMed Central

Yapuncich, Gabriel S; Boyer, Doug M

2014-01-01

The articular facets of interosseous joints must transmit forces while maintaining relatively low stresses. To prevent overloading, joints that transmit higher forces should therefore have larger facet areas. The relative contributions of body mass and muscle-induced forces to joint stress are unclear, but generate opposing hypotheses. If mass-induced forces dominate, facet area should scale with positive allometry to body mass. Alternatively, muscle-induced forces should cause facets to scale isometrically with body mass. Within primates, both scaling patterns have been reported for articular surfaces of the femoral and humeral heads, but more distal elements are less well studied. Additionally, examination of complex articular surfaces has largely been limited to linear measurements, so that ‘true area' remains poorly assessed. To re-assess these scaling relationships, we examine the relationship between body size and articular surface areas of the talus. Area measurements were taken from microCT scan-generated surfaces of all talar facets from a comprehensive sample of extant euarchontan taxa (primates, treeshrews, and colugos). Log-transformed data were regressed on literature-derived log-body mass using reduced major axis and phylogenetic least squares regressions. We examine the scaling patterns of muscle mass and physiological cross-sectional area (PCSA) to body mass, as these relationships may complicate each model. Finally, we examine the scaling pattern of hindlimb muscle PCSA to talar articular surface area, a direct test of the effect of mass-induced forces on joint surfaces. Among most groups, there is an overall trend toward positive allometry for articular surfaces. The ectal (= posterior calcaneal) facet scales with positive allometry among all groups except ‘sundatherians', strepsirrhines, galagids, and lorisids. The medial tibial facet scales isometrically among all groups except lemuroids. Scaling coefficients are not correlated with sample size, clade inclusivity or behavioral diversity of the sample. Muscle mass scales with slight positive allometry to body mass, and PCSA scales at isometry to body mass. PCSA generally scales with negative allometry to articular surface area, which indicates joint surfaces increase faster than muscles' ability to generate force. We suggest a synthetic model to explain the complex patterns observed for talar articular surface area scaling: whether ‘muscles or mass' drive articular facet scaling is probably dependent on the body size range of the sample and the biological role of the facet. The relationship between ‘muscle vs. mass' dominance is likely bone-and facet-specific, meaning that some facets should respond primarily to stresses induced by larger body mass, whereas others primarily reflect muscle forces. PMID:24219027

Anchored LH2 complexes in 2D polarization imaging.

PubMed

Tubasum, Sumera; Sakai, Shunsuke; Dewa, Takehisa; Sundström, Villy; Scheblykin, Ivan G; Nango, Mamoru; Pullerits, Tõnu

2013-09-26

Protein is a soft material with inherently large structural disorder. Consequently, the bulk spectroscopies of photosynthetic pigment protein complexes provide averaged information where many details are lost. Here we report spectroscopy of single light-harvesting complexes where fluorescence excitation and detection polarizations are both independently rotated. Two samples of peripheral antenna (LH2) complexes from Rhodopseudomonas acidophila were studied. In one, the complexes were embedded in polyvinyl alcohol (PVA) film; in the other, they were anchored on the glass surface and covered by the PVA film. LH2 contains two rings of pigment molecules-B800 and B850. The B800 excitation polarization properties of the two samples were found to be very similar, indicating that orientation statistics of LH2s are the same in these two very different preparations. At the same time, we found a significant difference in B850 emission polarization statistics. We conclude that the B850 band of the anchored sample is substantially more disordered. We argue that both B800 excitation and B850 emission polarization properties can be explained by the tilt of the anchored LH2s due to the spin-casting of the PVA film on top of the complexes and related shear forces. Due to the tilt, the orientation statistics of two samples become similar. Anchoring is expected to orient the LH2s so that B850 is closer to the substrate. Consequently, the tilt-related strain leads to larger deformation and disorder in B850 than in B800.

Multi-phase classification by a least-squares support vector machine approach in tomography images of geological samples

NASA Astrophysics Data System (ADS)

Khan, Faisal; Enzmann, Frieder; Kersten, Michael

2016-03-01

Image processing of X-ray-computed polychromatic cone-beam micro-tomography (μXCT) data of geological samples mainly involves artefact reduction and phase segmentation. For the former, the main beam-hardening (BH) artefact is removed by applying a best-fit quadratic surface algorithm to a given image data set (reconstructed slice), which minimizes the BH offsets of the attenuation data points from that surface. A Matlab code for this approach is provided in the Appendix. The final BH-corrected image is extracted from the residual data or from the difference between the surface elevation values and the original grey-scale values. For the segmentation, we propose a novel least-squares support vector machine (LS-SVM, an algorithm for pixel-based multi-phase classification) approach. A receiver operating characteristic (ROC) analysis was performed on BH-corrected and uncorrected samples to show that BH correction is in fact an important prerequisite for accurate multi-phase classification. The combination of the two approaches was thus used to classify successfully three different more or less complex multi-phase rock core samples.

Variational Approach to Enhanced Sampling and Free Energy Calculations

NASA Astrophysics Data System (ADS)

Valsson, Omar; Parrinello, Michele

2014-08-01

The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo simulations, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variables. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free energy surface. This variational principle can be turned into a practical, efficient, and flexible sampling method. A number of numerical examples are presented which include the determination of a three-dimensional free energy surface. We argue that, beside being numerically advantageous, our variational approach provides a convenient and novel standpoint for looking at the sampling problem.

Femtosecond laser processing of NiPd single and 5x(Ni/Pd) multilayer thin films

NASA Astrophysics Data System (ADS)

Petrović, S.; Gaković, B.; Zamfirescu, M.; Radu, C.; Peruško, D.; Radak, B.; Ristoscu, C.; Zdravković, S.; Luculescu, C. L.; Mihailescu, I. N.

2017-09-01

Modification of single and complex nickel-palladium samples by laser processing in the femtosecond time domain was studied. The samples were processed by focused Ti:Sapphire laser beam (Clark CPA-2101) with 775 nm laser wavelength, 2 kHz repetition rate, 200 fs pulse duration. The laser-induced morphological modifications have shown dependence on the applied fluences and number of laser pulses. The formed surface nanostructures on the single NiPd/Si and multilayer 5x(Ni/Pd)/Si systems are compared with individual Ni and Pd thin films. The results show an increase in surface roughness, formation of parallel periodic surface structures, appearance of hydrodynamic features and ablation of surface material. At low number of pulses (less than 10 pulses) and low pulse energies range (not over 1.7 μJ), the two types of laser-induced periodic surface structure (LIPSS) can be observed: low and high spatial frequency LIPSS (HSFL and LSFL). For all samples, the measured LSFL periods were 720 nm for the ripples created solely on thin film surfaces during the single pulse action. In the case of the multi-pulse irradiation, the periodicities of created LSFLs on the all investigated thin films have shown tendency to reduction with increasing of pulse energies.

Nickel adsorption on chalk and calcite.

PubMed

Belova, D A; Lakshtanov, L Z; Carneiro, J F; Stipp, S L S

2014-12-01

Nickel uptake from solution by two types of chalk and calcite was investigated in batch sorption studies. The goal was to understand the difference in sorption behavior between synthetic and biogenic calcite. Experiments at atmospheric partial pressure of CO2, in solutions equilibrated with calcite and chalk and pH ranging from 7.7 to 8.8, explored the influence of initial concentration and the amount and type of sorbent on Ni uptake. Adsorption increases with increased surface area and pH. A surface complexation model describes the data well. Stability constants for the Ni surface complex are log KNi=-1.12 on calcite and log KNi=-0.43 and -0.50 on the two chalk samples. The study confirms that synthetic calcite and chalk both take up nickel, but Ni binds more strongly on the biogenic calcite than on inorganically precipitated, synthetic powder, because of the presence of trace amounts of polysaccharides and clay nanoparticles on the chalk surface. Copyright © 2014 Elsevier B.V. All rights reserved.

Monomers of cutin biopolymer: sorption and esterification on montmorillonite surfaces

NASA Astrophysics Data System (ADS)

Olshansky, Yaniv; Polubesova, Tamara; Chefetz, Benny

2013-04-01

One of the important precursors for soil organic matter is plant cuticle, a thin layer of predominantly lipids that cover all primary aerial surfaces of vascular plants. In most plant species cutin biopolymer is the major component of the cuticle (30-85% weight). Therefore cutin is the third most abundant plant biopolymer (after lignin and cellulose). Cutin is an insoluble, high molecular weight bio-polyester, which is constructed of inter-esterified cross linked hydroxy-fatty acids and hydroxyepoxy-fatty acids. The most common building blocks of the cutin are derivatives of palmitic acid, among them 9(10),16 dihydroxy palmitic acid (diHPA) is the main component. These fatty acids and their esters are commonly found in major organo-mineral soil fraction-humin. Hence, the complexes of cutin monomers with minerals may serve as model of humin. Both cutin and humin act as adsorption efficient domains for organic contaminants. However, only scarce information is available about the interactions of cutin with soil mineral surfaces, in particular with common soil mineral montmorillonite. The main hypothesize of the study is that adsorbed cutin monomers will be reconstituted on montmorillonite surface due to esterification and oligomerization, and that interactions of cutin monomers with montmorillonite will be affected by the type of exchangeable cation. Cutin monomers were obtained from the fruits of tomato (Lycopersicon esculentum). Adsorption of monomers was measured for crude Wyoming montmorillonites and montmorillonites saturated with Fe3+ and Ca2+. To understand the mechanism of monomer-clay interactions and to evaluate esterification on the clay surface, XRD and FTIR analyses of the montmorillonite-monomers complexes were performed. Our results demonstrated that the interactions of cutin monomers with montmorillonite are affected by the type of exchangeable cation. Isotherms of adsorption of cutin monomers on montmorillonites were fitted by a dual mode model of sorption, which combines site specific adsorption mechanism (Langmuir) and partitioning mechanism. Adsorption of monomers by Fe3+-montmorillonite was higher than for Ca2+ and crude -montmorillonites. XRD measurements showed expansion of d-spacing of montmorillonite samples with the increase in diHPA loading from 12.32, 12.66 and 12.17 Å for Fe3+- Ca2+- and crude-montmorillonite up to 16.84, 16.62 and 16.79 Å for organo-clay complexes of Fe3+-, Ca2+- and crude-montmorillonites respectively. This significant expansion of d-spacing suggests interlayer, and probably, multilayer diHPA adsorption by montmorillonite. Based on FTIR data we suggest that diHPA forms inner-sphere complexes with Fe3+-montmorillonite surface but not with Ca2+ and crude-montmorillonites. However all montmorillonite samples induce esterification and oligomerization of the monomers, which was demonstrated by FTIR spectra of the organo-montmorillonite complexes and by LC-MS analysis of the organic material extracted from organo-clay complexes. These results confirmed our hypothesis about oligomerization of cuticular monomers on mineral surfaces. We assume that esterification and oligomerization of monomers on montmorillonite surfaces simulate similar soil processes, which result in the formation of soil organo-mineral complexes and humin.

Simulating the formation of carbon-rich molecules on an idealized graphitic surface

NASA Astrophysics Data System (ADS)

Marshall, David W.; Sadeghpour, H. R.

2016-01-01

There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and mass spectroscopy in cometary, meteoritic and asteroid samples, indicating a need to better understand the surface chemistry of astrophysical objects. There is also considerable interest in the origins of life-forming and life-sustaining molecules on the Earth. Here, we perform reactive molecular dynamics simulations to probe the formation of carbon-rich molecules and clusters on carbonaceous surfaces resembling dust grains and meteoroids. Our results show that large chains form on graphitic surfaces at low temperatures (100-500 K) and smaller fullerene-like molecules form at higher temperatures (2000-3000 K). The formation is faster on the surface than in the gas at low temperatures but slower at high temperatures as surface interactions prevent small clusters from coagulation. We find that for efficient formation of molecular complexity, mobility about the surface is important and helps to build larger carbon chains on the surface than in the gas phase at low temperatures. Finally, we show that the temperature of the surface strongly determines what kind of structures forms and that low turbulent environments are needed for efficient formation.

What would we miss if we characterized the Moon and Mars with just planetary meteorites, remote mapping, and robotic landers?. [Abstract only

NASA Technical Reports Server (NTRS)

Lindstrom, M. M.

1994-01-01

Exploration of the Moon and planets began with telescopic studies of their surfaces, continued with orbiting spacecraft and robotic landers, and will culminate with manned exploration and sample return. For the Moon and Mars we also have accidental samples provided by impacts on their surfaces, the lunar and martian meteorites. How much would we know about the lunar surface if we only had lunar meteorites, orbital spacecraft, and robotic exploration, and not the Apollo and Luna returned samples? What does this imply for Mars? With martian meteorites and data from Mariner, Viking, and the future Pathfinder missions, how much could we learn about Mars? The basis of most of our detailed knowledge about the Moon is the Apollo samples. They provide ground truth for the remote mapping, timescales for lunar processes, and samples from the lunar interior. The Moon is the foundation of planetary science and the basis for our interpretation of the other planets. Mars is similar to the Moon in that impact and volcanism are the dominant processes, but Mars' surface has also been affected by wind and water, and hence has much more complex surface geology. Future geochemical or mineralogical mapping of Mars' surface should be able to tell us whether the dominant rock types of the ancient southern highlands are basaltic, anorthositic, granitic, or something else, but will not be able to tell us the detailed mineralogy, geochemistry, or age. Without many more martian meteorites or returned samples we will not know the diversity of martian rocks, and therefore will be limited in our ability to model martian geological evolution.

Polychromatic microdiffraction characterization of defect gradients in severely deformed materials.

PubMed

Barabash, Rozaliya I; Ice, Gene E; Liu, Wenjun; Barabash, Oleg M

2009-01-01

This paper analyzes local lattice rotations introduced in severely deformed polycrystalline titanium by friction stir welding. Nondestructive three-dimensional (3D) spatially resolved polychromatic X-ray microdiffraction, is used to resolve the local crystal structure of the restructured surface from neighboring local structures in the sample material. The measurements reveal strong gradients of strain and geometrically necessary dislocations near the surface and illustrate the potential of polychromatic microdiffraction for the study of deformation in complex materials systems.

Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study

NASA Astrophysics Data System (ADS)

Milićević, Bojana; Đorđević, Vesna; Lončarević, Davor; Dostanić, Jasmina M.; Ahrenkiel, S. Phillip; Dramićanin, Miroslav D.; Sredojević, Dušan; Švrakić, Nenad M.; Nedeljković, Jovan M.

2017-11-01

Under normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA.

NASA's Mars 2020 Rover Artist's Concept #1

NASA Image and Video Library

2017-05-23

This artist's concept depicts NASA's Mars 2020 rover on the surface of Mars. The mission takes the next step by not only seeking signs of habitable conditions on Mars in the ancient past, but also searching for signs of past microbial life itself. The Mars 2020 rover introduces a drill that can collect core samples of the most promising rocks and soils and set them aside on the surface of Mars. A future mission could potentially return these samples to Earth. Mars 2020 is targeted for launch in July/August 2020 aboard an Atlas V 541 rocket from Space Launch Complex 41 at Cape Canaveral Air Force Station in Florida. https://photojournal.jpl.nasa.gov/catalog/PIA21635

FASTER 3: A generalized-geometry Monte Carlo computer program for the transport of neutrons and gamma rays. Volume 1: Summary report

NASA Technical Reports Server (NTRS)

Jordan, T. M.

1970-01-01

The theory used in FASTER-III, a Monte Carlo computer program for the transport of neutrons and gamma rays in complex geometries, is outlined. The program includes the treatment of geometric regions bounded by quadratic and quadric surfaces with multiple radiation sources which have specified space, angle, and energy dependence. The program calculates, using importance sampling, the resulting number and energy fluxes at specified point, surface, and volume detectors. It can also calculate minimum weight shield configuration meeting a specified dose rate constraint. Results are presented for sample problems involving primary neutron, and primary and secondary photon, transport in a spherical reactor shield configuration.

Chemical analysis of acoustically levitated drops by Raman spectroscopy.

PubMed

Tuckermann, Rudolf; Puskar, Ljiljana; Zavabeti, Mahta; Sekine, Ryo; McNaughton, Don

2009-07-01

An experimental apparatus combining Raman spectroscopy with acoustic levitation, Raman acoustic levitation spectroscopy (RALS), is investigated in the field of physical and chemical analytics. Whereas acoustic levitation enables the contactless handling of microsized samples, Raman spectroscopy offers the advantage of a noninvasive method without complex sample preparation. After carrying out some systematic tests to probe the sensitivity of the technique to drop size, shape, and position, RALS has been successfully applied in monitoring sample dilution and preconcentration, evaporation, crystallization, an acid-base reaction, and analytes in a surface-enhanced Raman spectroscopy colloidal suspension.

Surface roughness and runoff

NASA Astrophysics Data System (ADS)

Szabó, Judit Alexandra; Szabó, Boglárka; Centeri, Csaba; Józsa, Sándor; Szalai, Zoltán; Jakab, Gergely

2017-04-01

Soil surface conditions changes dynamically during a precipitation event. The changes involve compaction, aggregate detachment and of course transportation by runoff or drop erosion. Those processes together have an effect on the transport process of the soil particles and aggregates, and influences the roughness of the soil surface as well. How does surface roughness have an effect on the aggregate and particle size distribution of the sediment? How does the sediment connectivity change from precipitation event to precipitation event? Beside the previous questions on of the main aim of the present research is to apply rainfall simulators for the built-up of a complex approach, rather than to concentrate only on one of two factors. Hence four types of sample were collected during the simulation experiment sequences: 1) photos were taken about the surface before and after the rain, in order to build digital surface models; 2) all the runoff and eroded sediment was collected; 3) soil loss due to drop erosion was also sampled separately; and 4) undisturbed crust samples were collected for thin section analyses. Though the runoff ratio was smaller than what, the preliminary results suggest that the sediment connectivity covered bigger area on crusty surface, than on a rough one. These ambiguous data may be connected to the soil crust development. J. A. Szabó wish to acknowledge the support of NTP-NFTÖ-16-0203. G. Jakab wish to acknowledge the support of János Bolyai Fellowship.

Evaluation of in vitro bioactivity of surface waters from a nationwide assessment of United States streams

EPA Science Inventory

Bioassays can be used to evaluate the integrated effects of complex mixtures of both known and unidentified contaminants present in environmental samples. Most bio-monitoring approaches have historically focused only on one or a few pathways (e.g. estrogen receptor, androgen rece...

Application of the Attagene FACTORIAL™ assay to characterization of surface waters from a nationwide assessment of streams

EPA Science Inventory

Bioassays can be used to evaluate the integrated effects of complex mixtures from both known and unidentified contaminants present in environmental samples. However, such bio-monitoring approaches have typically focused only on one or a few pathways (e.g. estrogen receptor, andro...

Real-time analysis of dual-display phage immobilization and autoantibody screening using quartz crystal microbalance with dissipation monitoring.

PubMed

Rajaram, Kaushik; Losada-Pérez, Patricia; Vermeeren, Veronique; Hosseinkhani, Baharak; Wagner, Patrick; Somers, Veerle; Michiels, Luc

2015-01-01

Over the last three decades, phage display technology has been used for the display of target-specific biomarkers, peptides, antibodies, etc. Phage display-based assays are mostly limited to the phage ELISA, which is notorious for its high background signal and laborious methodology. These problems have been recently overcome by designing a dual-display phage with two different end functionalities, namely, streptavidin (STV)-binding protein at one end and a rheumatoid arthritis-specific autoantigenic target at the other end. Using this dual-display phage, a much higher sensitivity in screening specificities of autoantibodies in complex serum sample has been detected compared to single-display phage system on phage ELISA. Herein, we aimed to develop a novel, rapid, and sensitive dual-display phage to detect autoantibodies presence in serum samples using quartz crystal microbalance with dissipation monitoring as a sensing platform. The vertical functionalization of the phage over the STV-modified surfaces resulted in clear frequency and dissipation shifts revealing a well-defined viscoelastic signature. Screening for autoantibodies using antihuman IgG-modified surfaces and the dual-display phage with STV magnetic bead complexes allowed to isolate the target entities from complex mixtures and to achieve a large response as compared to negative control samples. This novel dual-display strategy can be a potential alternative to the time consuming phage ELISA protocols for the qualitative analysis of serum autoantibodies and can be taken as a departure point to ultimately achieve a point of care diagnostic system.

Microchip Immunoaffinity Electrophoresis of Antibody-Thymidine Kinase 1 Complex

PubMed Central

Pagaduan, Jayson V.; Ramsden, Madison; O’Neill, Kim; Woolley, Adam T.

2015-01-01

Thymidine kinase-1 (TK1) is an important cancer biomarker whose serum levels are elevated in early cancer development. We developed a microchip electrophoresis immunoaffinity assay to measure recombinant purified TK1 (pTK1) using an antibody that binds to human TK1. We fabricated poly(methyl methacrylate) microfluidic devices to test the feasibility of detecting antibody (Ab)-pTK1 immune complexes as a step towards TK1 analysis in clinical serum samples. We were able to separate immune complexes from unbound antibodies using 0.5X phosphate buffer saline (pH 7.4) containing 0.01% Tween-20, with 1% w/v methylcellulose that acts as a dynamic surface coating and sieving matrix. Separation of the antibody and Ab-pTK1 complex was observed within a 5 mm effective separation length. This method of detecting pTK1 is easy to perform, requires only a 10 μL sample volume, and takes just 1 minute for separation. PMID:25486911

Laser electrospray mass spectrometry of adsorbed molecules at atmospheric pressure

NASA Astrophysics Data System (ADS)

Brady, John J.; Judge, Elizabeth J.; Simon, Kuriakose; Levis, Robert J.

2010-02-01

Atmospheric pressure mass analysis of solid phase biomolecules is performed using laser electrospray mass spectrometry (LEMS). A non-resonant femtosecond duration laser pulse vaporizes native samples at atmospheric pressure for subsequent electrospray ionization and transfer into a mass spectrometer. LEMS was used to detect a complex molecule (irinotecan HCl), a complex mixture (cold medicine formulation with active ingredients: acetaminophen, dextromethorphan HBr and doxylamine succinate), and a biological building block (deoxyguanosine) deposited on steel surfaces without a matrix molecule.

Determination of B-complex vitamins in pharmaceutical formulations by surface-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Junior, Benedito Roberto Alvarenga; Soares, Frederico Luis Felipe; Ardila, Jorge Armando; Durango, Luis Guillermo Cuadrado; Forim, Moacir Rossi; Carneiro, Renato Lajarim

2018-01-01

The aim of this work was to quantify B-complex vitamins in pharmaceutical samples by surface enhanced Raman spectroscopy technique using gold colloid substrate. Synthesis of gold nanoparticles was performed according to an adapted Turkevich method. Initial essays were able to suggest the orientation of molecules on gold nanoparticles surface. Central Composite design was performed to obtain the highest SERS signal for nicotinamide and riboflavin. The evaluated parameters in the experimental design were volume of AuNPs, concentration of vitamins and sodium chloride concentration. The best condition for nicotinamide was NaCl 2.3 × 10- 3 mol L- 1 and 700 μL of AuNPs colloid and this same condition showed to be adequate to quantify thiamine. The experimental design for riboflavin shows the best condition at NaCl 1.15 × 10- 2 mol L- 1 and 2.8 mL of AuNPs colloid. It was possible to quantify thiamine and nicotinamide in presence of others vitamins and excipients in two solid multivitamin formulations using the standard addition procedure. The standard addition curve presented a R2 higher than 0.96 for both nicotinamide and thiamine, at orders of magnitude 10- 7 and 10- 8 mol L- 1, respectively. The nicotinamide content in a cosmetic gel sample was also quantified by direct analysis presenting R2 0.98. The t-student test presented no significant difference regarding HPLC method. Despite the experimental design performed for riboflavin, it was not possible its quantification in the commercial samples.

Geometry of sorbed arsenate on ferrihydrite and crystalline FeOOH: Re-evaluation of EXAFS results and topological factors in predicting sorbate geometry, and evidence for monodentate complexes

USGS Publications Warehouse

Waychunas , Glenn A.; Davis, James A.; Fuller, Christopher C.

1995-01-01

Manceau's (1995) reinterpretation of some of our EXAFS results (Waychunas et al., 1993) has been analyzed using both old and newly collected data in an attempt to clarify the nature of proposed monodentate and edge-sharing bidentate arsenate complexes on the ferrihydrite surface. It is shown that EXAFS analysis utilizing data with sufficient k-range does indicate the presence of relatively short AsFe bonds, suggestive of an edge-sharing complex as indicated by Manceau (1995). However, a variety of data analysis factors and crystal chemical considerations create doubt in this assignment. Most significantly, X-ray scattering data collected on a sample of ferrihydrite with a large density of sorbed arsenate, which should show a substantial fraction of the edge-sharing complex, does not show any such correlation within fitting uncertainty. We also suggest that it is unnecessary to invoke the presence of edge-sharing bidentate arsenate to explain the surface growth poisoning of ferrihydrite with increasing sorbed arsenate, as Manceau (1995) claims.Further, we show that a model based on the topology of close packed oxygen ions offers a clear explanation why monodentate arsenate should appear on some surfaces and not on others, and why differing AsFe distances might be observed on a single surface with a single type of complex. This model also explains why bidentate sorbed arsenate can occupy positions with consistent “tilt” angles. Without such consistency, the sorbed arsenate would be highly positionally disordered, and difficult to detect accurately via EXAFS methods.

Interfacial exciplex formation in bilayers of conjugated polymers

NASA Astrophysics Data System (ADS)

Nobuyasu, R. S.; Araujo, K. A. S.; Cury, L. A.; Jarrosson, T.; Serein-Spirau, F.; Lère-Porte, J.-P.; Dias, F. B.; Monkman, A. P.

2013-10-01

The donor-acceptor interactions in sequential bilayer and blend films are investigated. Steady-state and time-resolved photoluminescence (PL) were measured to characterize the samples at different geometries of photoluminescence collection. At standard excitation, with the laser incidence at 45° of the normal direction of the sample surface, a band related to the aggregate states of donor molecules appears for both blend and bilayer at around 540 nm. For the PL spectra acquired from the edge of the bilayer, with the laser incidence made at normal direction of the sample surface (90° geometry), a new featureless band emission, red-shifted from donor and acceptor emission regions was observed and assigned as the emission from interfacial exciplex states. The conformational complexity coming from donor/acceptor interactions at the heterojunction interface of the bilayer is at the origin of this interfacial exciplex emission.

Negative interference by rheumatoid factor in alpha-fetoprotein chemiluminescent microparticle immunoassay.

PubMed

Wang, Hui; Bi, Xiaohui; Xu, Lei; Li, Yirong

2017-01-01

Background Rheumatoid factor causes positive interference in multiple immunoassays. Recently, negative interference has also been found in immunoassays in the presence of rheumatoid factor. The chemiluminescent microparticle immunoassay is widely used to determine serum alpha-fetoprotein. However, it is not clear whether the presence of rheumatoid factor in the serum causes interference in the chemiluminescent microparticle immunoassay of alpha-fetoprotein. Methods Serum alpha-fetoprotein was determined using the ARCHITECT alpha-fetoprotein assay. The estimation of alpha-fetoprotein recovery was carried out in samples prepared by diluting high-concentration alpha-fetoprotein serum with rheumatoid factor-positive or rheumatoid factor-negative serum. Paramagnetic microparticles coated with hepatitis B surface antigen-anti-HBs complexes were used to remove rheumatoid factor from the serum. Results The average recovery of alpha-fetoprotein was 88.4% and 93.8% in the rheumatoid factor-positive and rheumatoid factor-negative serum samples, respectively. The recovery of alpha-fetoprotein was significantly lower in the rheumatoid factor-positive serum samples than in the rheumatoid factor-negative serum samples. In two of five rheumatoid factor-positive samples, a large difference was found (9.8%) between the average alpha-fetoprotein recoveries in the serially diluted and initial recoveries. Fourteen rheumatoid factor-positive serum samples were pretreated with hepatitis B surface antigen-anti-HBs complex-coated paramagnetic microparticles. The alpha-fetoprotein concentrations measured in the pretreated samples increased significantly. Conclusions It was concluded that the alpha-fetoprotein chemiluminescent microparticle immunoassay is susceptible to interference by rheumatoid factor, leading to significantly lower results. Eliminating the incidence of negative interference from rheumatoid factor should be an important goal for immunoassay providers. In the meantime, laboratorians must remain alert to the negative interference by rheumatoid factor, and in some cases, pretreat rheumatoid factor-positive samples with blocking or absorbing reagents.

Inverse Modeling of Water-Rock-CO2 Batch Experiments: Potential Impacts on Groundwater Resources at Carbon Sequestration Sites.

PubMed

Yang, Changbing; Dai, Zhenxue; Romanak, Katherine D; Hovorka, Susan D; Treviño, Ramón H

2014-01-01

This study developed a multicomponent geochemical model to interpret responses of water chemistry to introduction of CO2 into six water-rock batches with sedimentary samples collected from representative potable aquifers in the Gulf Coast area. The model simulated CO2 dissolution in groundwater, aqueous complexation, mineral reactions (dissolution/precipitation), and surface complexation on clay mineral surfaces. An inverse method was used to estimate mineral surface area, the key parameter for describing kinetic mineral reactions. Modeling results suggested that reductions in groundwater pH were more significant in the carbonate-poor aquifers than in the carbonate-rich aquifers, resulting in potential groundwater acidification. Modeled concentrations of major ions showed overall increasing trends, depending on mineralogy of the sediments, especially carbonate content. The geochemical model confirmed that mobilization of trace metals was caused likely by mineral dissolution and surface complexation on clay mineral surfaces. Although dissolved inorganic carbon and pH may be used as indicative parameters in potable aquifers, selection of geochemical parameters for CO2 leakage detection is site-specific and a stepwise procedure may be followed. A combined study of the geochemical models with the laboratory batch experiments improves our understanding of the mechanisms that dominate responses of water chemistry to CO2 leakage and also provides a frame of reference for designing monitoring strategy in potable aquifers.

Application of SAXS and SANS in evaluation of porosity, pore size distribution and surface area of coal

USGS Publications Warehouse

Radlinski, A.P.; Mastalerz, Maria; Hinde, A.L.; Hainbuchner, M.; Rauch, H.; Baron, M.; Lin, J.S.; Fan, L.; Thiyagarajan, P.

2004-01-01

This paper discusses the applicability of small angle X-ray scattering (SAXS) and small angle neutron scattering (SANS) techniques for determining the porosity, pore size distribution and internal specific surface area in coals. The method is noninvasive, fast, inexpensive and does not require complex sample preparation. It uses coal grains of about 0.8 mm size mounted in standard pellets as used for petrographic studies. Assuming spherical pore geometry, the scattering data are converted into the pore size distribution in the size range 1 nm (10 A??) to 20 ??m (200,000 A??) in diameter, accounting for both open and closed pores. FTIR as well as SAXS and SANS data for seven samples of oriented whole coals and corresponding pellets with vitrinite reflectance (Ro) values in the range 0.55% to 5.15% are presented and analyzed. Our results demonstrate that pellets adequately represent the average microstructure of coal samples. The scattering data have been used to calculate the maximum surface area available for methane adsorption. Total porosity as percentage of sample volume is calculated and compared with worldwide trends. By demonstrating the applicability of SAXS and SANS techniques to determine the porosity, pore size distribution and surface area in coals, we provide a new and efficient tool, which can be used for any type of coal sample, from a thin slice to a representative sample of a thick seam. ?? 2004 Elsevier B.V. All rights reserved.

Constraining Bulk Densities of Near-Earth Asteroid Surfaces from Radar Observations Using Laboratory Measurements of Permittivity

NASA Astrophysics Data System (ADS)

Hickson, D. C.; Boivin, A.; Daly, M. G.; Ghent, R. R.; Nolan, M. C.; Tait, K.; Cunje, A.; Tsai, C. A.

2017-12-01

Planetary radar is widely used to survey the Near-Earth Asteroid (NEA) population and can provide insight into target shapes, sizes, and spin states. The dual-polarization reflectivity is sensitive to surface roughness as well as material properties, specifically the real part of the complex permittivity, or dielectric constant. Knowledge of the behavior of the dielectric constant of asteroid regolith analogue material with environmental parameters can be used to inversely solve for such parameters, such as bulk density, from radar observations. In this study laboratory measurements of the complex permittivity of powdered aluminum oxide and dunite samples are performed in a low-pressure environment chamber using a coaxial transmission line from roughly 1 GHz to 8.5 GHz. The bulk densities of the samples are varied across the measurements by incrementally adding silica aerogel, a low-density material with a very low dielectric constant. This allows the alteration of the proportions of void space to solid particle grains to achieve microgravity-relevant porosities without significantly altering the dielectric properties of the powder sample. The data are then modeled using various electromagnetic mixing equations to characterize the change in dielectric constant with increasing volume fractions of void space (decreasing bulk density). Using spectral analogues as constraints on the composition of NEAs allows us to calculate the range in bulk densities in the near surface of NEAs that have been observed by planetary radar. Utilizing existing radar data from Arecibo Observatory we calculate the bulk density in the near-surface on (101955) Bennu, the target of NASA's OSIRIS-Rex mission, to be ρ = 1.27 ± 0.33 g cm-3 based on an average of the likely range in particle density and dielectric constant of the regolith material.

Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

PubMed Central

Lund, Tracy J; Koretsky, Carla M; Landry, Christopher J; Schaller, Melinda S; Das, Soumya

2008-01-01

Background The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO), pure kaolinite (from two sources) and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs) describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples. PMID:18783619

Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loring, John S.; Chen, Jeffrey; Benezeth, Pascale

Continental flood basalts are attractive formations for geologic sequestration of carbon dioxide because of their reactive divalent-cation containing silicates, such as forsterite (Mg2SiO4), suitable for long-term trapping of CO2 mineralized as metal carbonates. The goal of this study was to investigate at a molecular level the carbonation products formed during the reaction of forsterite with supercritical CO2 (scCO2) as a function of the concentration of H2O adsorbed to the forsterite surface. Experiments were performed at 50 °C and 90 bar using an in situ IR titration capability, and post-reaction samples were examined by ex situ techniques, including SEM, XPS, FIB-TEM,more » TGA-MS, and MAS-NMR. Carbonation products and reaction extents varied greatly with adsorbed H2O. We show for the first time evidence of Mg-carbonate surface complexation under wet scCO2 conditions. Carbonate is found to be coordinated to Mg at the forsterite surface in a predominately bidentate fashion at adsorbed H2O concentrations below 27 µmol/m2. Above this concentration and up to 76 µmol/m2, monodentate coordinated complexes become dominant. Beyond a threshold adsorbed H2O concentration of 76 µmol/m2, crystalline carbonates continuously precipitate as magnesite, and the particles that form are hundreds of times larger than the estimated thicknesses of the adsorbed water films of about 7 to 15 Å. At an applied level, the implication of these results is that mineral trapping in scCO2 dominated fluids will be insignificant and limited to surface complexation unless adsorbed H2O concentrations are high enough to promote crystalline carbonate formation. At a fundamental level, the surface complexes and their dependence on adsorbed H2O concentration give insights regarding forsterite dissolution processes and magnesite nucleation and growth.« less

Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loring, John S.; Chen, Jeffrey; Benezeth Ep Gisquet, Pascale

Continental flood basalts are attractive formations for geologic sequestration of carbon dioxide because of their reactive divalent-cation containing silicates, such as forsterite (Mg2SiO4), suitable for long-term trapping of CO2 mineralized as metal carbonates. The goal of this study was to investigate at a molecular level the carbonation products formed during the reaction of forsterite with supercritical CO2 (scCO2) as a function of the concentration of H2O adsorbed to the forsterite surface. Experiments were performed at 50 °C and 90 bar using an in situ IR titration capability, and post-reaction samples were examined by ex situ techniques, including SEM, XPS, FIB-TEM,more » TGA-MS, and MAS-NMR. Carbonation products and reaction extents varied greatly with adsorbed H2O. We show for the first time evidence of Mg-carbonate surface complexation under wet scCO2 conditions. Carbonate is found to be coordinated to Mg at the forsterite surface in a predominately bidentate fashion at adsorbed H2O concentrations below 27 µmol/m2. Above this concentration and up to 76 µmol/m2, monodentate coordinated complexes become dominant. Beyond a threshold adsorbed H2O concentration of 76 µmol/m2, crystalline carbonates continuously precipitate as magnesite, and the particles that form are hundreds of times larger than the estimated thicknesses of the adsorbed water films of about 7 to 15 Å. At an applied level, these results suggest that mineral carbonation in scCO2 dominated fluids near the wellbore and adjacent to caprocks will be insignificant and limited to surface complexation, unless adsorbed H2O concentrations are high enough to promote crystalline carbonate formation. At a fundamental level, the surface complexes and their dependence on adsorbed H2O concentration give insights regarding forsterite dissolution processes and magnesite nucleation and growth.« less

Grayscale lithography-automated mask generation for complex three-dimensional topography

NASA Astrophysics Data System (ADS)

Loomis, James; Ratnayake, Dilan; McKenna, Curtis; Walsh, Kevin M.

2016-01-01

Grayscale lithography is a relatively underutilized technique that enables fabrication of three-dimensional (3-D) microstructures in photosensitive polymers (photoresists). By spatially modulating ultraviolet (UV) dosage during the writing process, one can vary the depth at which photoresist is developed. This means complex structures and bioinspired designs can readily be produced that would otherwise be cost prohibitive or too time intensive to fabricate. The main barrier to widespread grayscale implementation, however, stems from the laborious generation of mask files required to create complex surface topography. We present a process and associated software utility for automatically generating grayscale mask files from 3-D models created within industry-standard computer-aided design (CAD) suites. By shifting the microelectromechanical systems (MEMS) design onus to commonly used CAD programs ideal for complex surfacing, engineering professionals already familiar with traditional 3-D CAD software can readily utilize their pre-existing skills to make valuable contributions to the MEMS community. Our conversion process is demonstrated by prototyping several samples on a laser pattern generator-capital equipment already in use in many foundries. Finally, an empirical calibration technique is shown that compensates for nonlinear relationships between UV exposure intensity and photoresist development depth as well as a thermal reflow technique to help smooth microstructure surfaces.

Application of the Attagene FACTORIAL™ assay to ...

EPA Pesticide Factsheets

Bioassays can be used to evaluate the integrated effects of complex mixtures from both known and unidentified contaminants present in environmental samples. However, such bio-monitoring approaches have typically focused only on one or a few pathways (e.g. estrogen receptor, androgen receptor) despite the fact that the chemicals in a mixture may exhibit a range of biological activities. High-throughput screening approaches that can rapidly assess samples for a broad diversity of biological activities offer a means to provide a more comprehensive characterization of complex mixtures. The Attagene FactorialTM platform is a high-throughput, cell based assay utilized by US EPA’s ToxCast Program, which provides high-content assessment of over 90 different gene regulatory pathways and all 48 human nuclear receptors (NRs). This assay has previously been used in a preliminary screening of surface water extracts from sites across the Great Lakes. In the current study, surface waters samples from 38 sites were collected, extracted, and screened through the Factorial assay as part of a USGS nationwide stream assessment. All samples were evaluated in a six point, 3-fold dilution series and analyzed using the ToxCast Data Pipeline (TCPL) to generate dose-response curves and corresponding half-maximal activity concentration (AC50) estimates. A total of 27 assay endpoints responded to extracts from one or more sites, with up to 14 assays active for a single extract. The four

Spectroscopy of Photovoltaic Materials: Charge-Transfer Complexes and Titanium Dioxide

NASA Astrophysics Data System (ADS)

Dillon, Robert John

The successful function of photovoltaic (PV) and photocatalytic (PC) systems centers primarily on the creation and photophysics of charge separated electron-hole pairs. The pathway leading to separate carriers varies by material; organic materials typically require multiple events to charge separate, whereas inorganic semiconductors can directly produce free carriers. In this study, time-resolved spectroscopy is used to provide insight into two such systems: 1) organic charge-transfer (CT) complexes, where electrons and holes are tightly bound to each other, and 2) Au-TiO2 core-shell nanostructures, where free carriers are directly generated. 1) CT complexes are structurally well defined systems consisting of donor molecules, characterized by having low ionization potentials, and acceptor molecules, characterized by having high electron affinities. Charge-transfer is the excitation of an electron from the HOMO of a donor material directly into the LUMO of the acceptor material, leading to an electron and hole separated across the donor:acceptor interface. The energy of the CT transition is often less than that of the bandgaps of donor and acceptor materials individually, sparking much interest if PV systems can utilize the CT band to generate free carriers from low energy photons. In this work we examine the complexes formed between acceptors tetracyanobenzene (TCNB) and tetracyanoquinodimethane (TCNQ) with several aromatic donors. We find excitation of the charge-transfer band of these systems leads to strongly bound electron-hole pairs that exclusively undergo recombination to the ground state. In the case of the TCNB complexes, our initial studies were flummoxed by the samples' generally low threshold for photo and mechanical damage. As our results conflicted with previous literature, a significant portion of this study was spent quantifying the photodegradation process. 2) Unlike the previous system, free carriers are directly photogenerated in TiO2, and the prime consideration is avoiding loss due to recombination of the electron and hole. In this study, four samples of core-shell Au-TiO 2 nanostructures are analyzed for their photocatalytic activity and spectroscopic properties. The samples were made with increasingly crystalline TiO2 shells. The more crystalline samples had higher photocatalytic activities, attributed to longer carrier lifetimes. The observed photophysics of these samples vary with excitation wavelength and detection method used. We find the time-resolved photoluminescence correlates with the samples' photocatalytic activities only when high energy, excitation wavelength less than or equal to 300 nm is used, while transient absorption experiments show no correlation regardless of excitation source. The results imply that photoexcitation with high energy photons can generate both reactive surface sites and photoluminescent surface sites in parallel. Both types of sites then undergo similar electron-hole recombination processes that depend on the crystallinity of the TiO2 shell. Surface sites created by low energy photons, as well as bulk TiO2 carrier dynamics that are probed by transient absorption, do not appear to be sensitive to the same dynamics that determine chemical reactivity.

Rapid production of hollow SS316 profiles by extrusion based additive manufacturing

NASA Astrophysics Data System (ADS)

Rane, Kedarnath; Cataldo, Salvatore; Parenti, Paolo; Sbaglia, Luca; Mussi, Valerio; Annoni, Massimiliano; Giberti, Hermes; Strano, Matteo

2018-05-01

Complex shaped stainless steel tubes are often required for special purpose biomedical equipment. Nevertheless, traditional manufacturing technologies, such as extrusion, lack the ability to compete in a market of customized complex components because of associated expenses towards tooling and extrusion presses. To rapid manufacture few of such components with low cost and high precision, a new Extrusion based Additive Manufacturing (EAM) process, is proposed in this paper, and as an example, short stainless steel 316L complex shaped and sectioned tubes were prepared by EAM. Several sample parts were produced using this process; the dimensional stability, surface roughness and chemical composition of sintered samples were investigated to prove process competence. The results indicate that feedstock with a 316L particle content of 92.5 wt. % can be prepared with a sigma blade mixing, whose rheological behavior is fit for EAM. The green samples have sufficient strength to handle them for subsequent treatments. The sintered samples considerably shrunk to designed dimensions and have a homogeneous microstructure to impart mechanical strength. Whereas, maintaining comparable dimensional accuracy and chemical composition which are required for biomedical equipment still need iterations, a kinematic correction and modification in debinding cycle was proposed.

Calendar Year 2007 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elvado Environmental LLC

2008-12-01

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2007 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2007 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions aremore » in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2007 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT), and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). In December 2007, the BWXT corporate name was changed to Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12), which is applied to personnel and organizations throughout CY 2007 for this report. Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2007 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP including sampling locations and frequency; quality assurance (QA)/quality control (QC) sampling; sample collection and handling; field measurements and laboratory analytes; data management and data quality objective (DQO) evaluation; and groundwater elevation monitoring. However, this report does not include equivalent information regarding the groundwater and surface water sampling and analysis activities associated with the monitoring programs implemented by BJC. Such details are deferred to the respective programmatic plans and reports issued by BJC (see Section 3.0). Collectively, the groundwater and surface water monitoring data obtained during CY 2007 by the Y-12 GWPP and BJC address DOE Order 450.1 (Environmental Protection Program) requirements for monitoring groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). Section 4 of this report presents a summary evaluation of the monitoring data with regard to the respective objectives of surveillance monitoring and exit pathway/perimeter monitoring, based on the analytical results for the principal groundwater and surface water contaminants at Y-12: nitrate, uranium, volatile organic compounds (VOCs), gross alpha activity, and gross beta activity. Section 5 of this report summarizes the most pertinent findings regarding the principal contaminants, along with recommendations proposed for ongoing groundwater and surface water quality monitoring performed under the Y-12 GWPP.« less

Fundamentals of Focused Ion Beam Nanostructural Processing: Below, At, and Above the Surface

DOE PAGES

MoberlyChan, Warren J.; Adams, David P.; Aziz, Michael J.; ...

2007-05-01

This paper considers the fundamentals of what happens in a solid when it is impacted by a medium-energy gallium ion. The study of the ion/sample interaction at the nanometer scale is applicable to most focused ion beam (FIB)–based work even if the FIB/sample interaction is only a step in the process, for example, micromachining or microelectronics device processing. Whereas the objective in other articles in this issue is to use the FIB tool to characterize a material or to machine a device or transmission electron microscopy sample, the goal of the FIB in this article is to have the FIB/samplemore » interaction itself become the product. To that end, the FIB/sample interaction is considered in three categories according to geometry: below, at, and above the surface. First, the FIB ions can penetrate the top atom layer(s) and interact below the surface. Ion implantation and ion damage on flat surfaces have been comprehensively examined; however, FIB applications require the further investigation of high doses in three-dimensional profiles. Second, the ions can interact at the surface, where a morphological instability can lead to ripples and surface self-organization, which can depend on boundary conditions for site-specific and compound FIB processing. Third, the FIB may interact above the surface (and/or produce secondary particles that interact above the surface). Such ion beam–assisted deposition, FIB–CVD (chemical vapor deposition), offers an elaborate complexity in three dimensions with an FIB using a gas injection system. Finally, at the nanometer scale, these three regimes—below, at, and above the surface—can require an interdependent understanding to be judiciously controlled by the FIB.« less

Re-assessing the vertical distribution of testate amoeba communities in surface peats: Implications for palaeohydrological studies.

PubMed

Roe, Helen M; Elliott, Suzanne M; Patterson, R Timothy

2017-08-01

Testate amoeba-derived transfer functions are frequently used in peatland palaeohydrological studies and involve the development of training sets from surficial peats. However, within acrotelmic peats, considerable vertical variation in assemblage composition can occur, particularly along Sphagnum stems, which may limit the representation of the associated 'contemporary' testate amoeba samples as analogues for the peatland surface. This paper presents contiguous testate amoeba assemblage data from nine monoliths collected from different peatland microforms (hummock, hollow, lawn) in three Sphagnum dominated ombrotrophic peatlands in Ontario and Quebec, eastern Canada. The aim is to: (i) gain a greater understanding of the vertical distribution of xerophilous/hygrophilous taxa along Sphagnum stems; (ii) determine the vertical extent of live/encysted taxa along this gradient; and (iii) assess the significance of this distribution on surface sampling protocols. The results show that testate amoeba communities in the uppermost acrotelmic peat layers display considerable variability. This may reflect a complex interplay of abiotic and biotic controls, including moisture, temperature, light and other characteristics, food availability, and mineral particle availability for test construction. These findings underline the complexity of testate amoeba community structure and highlight the importance of analysing both living and dead Sphagnum stem sections when developing calibration sets. Copyright © 2017 Elsevier GmbH. All rights reserved.

Role of an Oxidant Mixture as Surface Modifier of Porous Silicon Microstructures Evaluated by Spectroscopic Ellipsometry

PubMed Central

Montiel-González, Zeuz; Escobar, Salvador; Nava, Rocío; del Río, J. Antonio; Tagüeña-Martínez, Julia

2016-01-01

Current research on porous silicon includes the construction of complex structures with luminescent and/or photonic properties. However, their preparation with both characteristics is still challenging. Recently, our group reported a possible method to achieve that by adding an oxidant mixture to the electrolyte used to produce porous silicon. This mixture can chemically modify their microstructure by changing the thickness and surface passivation of the pore walls. In this work, we prepared a series of samples (with and without oxidant mixture) and we evaluated the structural differences through their scanning electron micrographs and their optical properties determined by spectroscopic ellipsometry. The results showed that ellipsometry is sensitive to slight variations in the porous silicon structure, caused by changes in their preparation. The fitting process, based on models constructed from the features observed in the micrographs, allowed us to see that the mayor effect of the oxidant mixture is on samples of high porosity, where the surface oxidation strongly contributes to the skeleton thinning during the electrochemical etching. This suggests the existence of a porosity threshold for the action of the oxidant mixture. These results could have a significant impact on the design of complex porous silicon structures for different optoelectronic applications. PMID:27097767

Role of an Oxidant Mixture as Surface Modifier of Porous Silicon Microstructures Evaluated by Spectroscopic Ellipsometry.

PubMed

Montiel-González, Zeuz; Escobar, Salvador; Nava, Rocío; del Río, J Antonio; Tagüeña-Martínez, Julia

2016-04-21

Current research on porous silicon includes the construction of complex structures with luminescent and/or photonic properties. However, their preparation with both characteristics is still challenging. Recently, our group reported a possible method to achieve that by adding an oxidant mixture to the electrolyte used to produce porous silicon. This mixture can chemically modify their microstructure by changing the thickness and surface passivation of the pore walls. In this work, we prepared a series of samples (with and without oxidant mixture) and we evaluated the structural differences through their scanning electron micrographs and their optical properties determined by spectroscopic ellipsometry. The results showed that ellipsometry is sensitive to slight variations in the porous silicon structure, caused by changes in their preparation. The fitting process, based on models constructed from the features observed in the micrographs, allowed us to see that the mayor effect of the oxidant mixture is on samples of high porosity, where the surface oxidation strongly contributes to the skeleton thinning during the electrochemical etching. This suggests the existence of a porosity threshold for the action of the oxidant mixture. These results could have a significant impact on the design of complex porous silicon structures for different optoelectronic applications.

Calendar Year 2009 Groundwater Monitoring Report, U.S. Department of Energy, Y-12 National Security Complex, Oak Ridge, Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elvado Environmental LLC

2010-12-01

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2009 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2009 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in referencemore » to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2009 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2009 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP including sampling locations and frequency; quality assurance (QA)/quality control (QC) sampling; sample collection and handling; field measurements and laboratory analytes; data management and data quality objective (DQO) evaluation; and groundwater elevation monitoring. However, this report does not include equivalent QA/QC or DQO evaluation information regarding the groundwater and surface water sampling and analysis activities associated with the monitoring programs implemented by BJC. Such details are deferred to the respective programmatic plans and reports issued by BJC (see Section 3.0). Collectively, the groundwater and surface water monitoring data obtained during CY 2009 by the Y-12 GWPP and BJC address DOE Order 450.1A (Environmental Protection Program) requirements for monitoring groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). Section 4 of this report presents a summary evaluation of the monitoring data with regard to the respective objectives of surveillance monitoring and exit pathway/perimeter monitoring, based on the analytical results for the principal groundwater contaminants at Y-12: nitrate, uranium, volatile organic compounds (VOCs), gross alpha activity, and gross beta activity. Section 5 of this report summarizes the most pertinent findings regarding the principal contaminants, along with recommendations proposed for ongoing groundwater and surface water quality monitoring performed under the Y-12 GWPP. Narrative sections of this report reference several appendices. Figures (maps and diagrams) and tables (excluding data summary tables presented in the narrative sections) are in Appendix A and Appendix B, respectively. Appendix C contains construction details for the wells in each regime that were sampled during CY 2009 by either the Y-12 GWPP or BJC. Field measurements recorded during collection of the groundwater and surface water samples and results of laboratory analyses of the samples are in Appendix D (Bear Creek Regime), Appendix E (East Fork Regime and surrounding areas), and Appendix F (Chestnut Ridge Regime). Appendix G contains data for the QA/QC samples associated with monitoring performed in each regime by the Y-12 GWPP.« less

Optical method and apparatus for detection of surface and near-subsurface defects in dense ceramics

DOEpatents

Ellingson, William A.; Brada, Mark P.

1995-01-01

A laser is used in a non-destructive manner to detect surface and near-subsurface defects in dense ceramics and particularly in ceramic bodies with complex shapes such as ceramic bearings, turbine blades, races, and the like. The laser's wavelength is selected based upon the composition of the ceramic sample and the laser can be directed on the sample while the sample is static or in dynamic rotate or translate motion. Light is scattered off surface and subsurface defects using a preselected polarization. The change in polarization angle is used to select the depth and characteristics of surface/subsurface defects. The scattered light is detected by an optical train consisting of a charge coupled device (CCD), or vidicon, television camera which, in turn, is coupled to a video monitor and a computer for digitizing the image. An analyzing polarizer in the optical train allows scattered light at a given polarization angle to be observed for enhancing sensitivity to either surface or near-subsurface defects. Application of digital image processing allows subtraction of digitized images in near real-time providing enhanced sensitivity to subsurface defects. Storing known "feature masks" of identified defects in the computer and comparing the detected scatter pattern (Fourier images) with the stored feature masks allows for automatic classification of detected defects.

Geochemistry of glacial sediments in the area of the Bend massive sulfide deposit, north-central Wisconsin

USGS Publications Warehouse

Woodruff, L.G.; Attig, J.W.; Cannon, W.F.

2004-01-01

Geochemical exploration in northern Wisconsin has been problematic because of thick glacial overburden and complex stratigraphic record of glacial history. To assess till geochemical exploration in an area of thick glacial cover and complex stratigraphy samples of glacial materials were collected from cores from five rotasonic boreholes near a known massive sulfide deposit, the Bend deposit in north-central Wisconsin. Diamond drilling in the Bend area has defined a long, thin zone of mineralization at least partly intersected at the bedrock surface beneath 30-40 m of unconsolidated glacial sediments. The bedrock surface has remnant regolith and saprolite resulting from pre-Pleistocene weathering. Massive sulfide and mineralized rock collected from diamond drill core from the deposit contain high (10s to 10,000s ppm) concentrations of Ag, As, Au, Bi, Cu, Hg, Se, Te, and Tl. Geochemical properties of the glacial stratigraphic units helped clarify the sequence and source areas of several glacial ice advances preserved in the section. At least two till sheets are recognized. Over the zone of mineralization, saprolite and preglacial alluvial and lacustrine samples are preserved on the bedrock surface in a paleoriver valley. The overlying till sheet is a gray, silty carbonate till with a source hundreds of kilometers to the northwest of the study area. This gray till is overlain by red, sandy till with a source to the north in Proterozoic rocks of the Lake Superior area. The complex glacial stratigraphy confounds down-ice geochemical till exploration. The presence of remnant saprolite, preglacial sediment, and far-traveled carbonate till minimized glacial erosion of mineralized material. As a result, little evidence of down-ice glacial dispersion of lithologic or mineralogic indicators of Bend massive sulfide mineralization was found in the samples from the rotasonic cores. This study points out the importance of determining glacial stratigraphy and history, and identifying favorable lithologies required for geochemical exploration. Drift prospecting in Wisconsin and other areas near the outer limits of the Pleistocene ice sheets may not be unsuccessful, in part, because of complex stratigraphic sequences of multiple glaciations where deposition dominates over erosion. ?? 2004 Elsevier B.V. All rights reserved.

Covalently functionalized noble metal nanoparticles for molecular imprinted polymer biosensors: Synthesis, characterization, and SERS detection

NASA Astrophysics Data System (ADS)

Volkert, Anna Allyse

This dissertation evaluates how gold nanoparticle structure and local environment influence resulting sensor function when using these nanomaterials for complex sample analysis. Molecular imprinted polymers (MIPs), a class of plastic antibodies, are engineered and incorporated into these nanosensors thereby facilitating the quantitative detection of a variety of small molecules when Raman spectroscopy and surface enhanced Raman scattering (SERS) are used for detection. First, homogeneous seeded growth gold nanosphere synthesis is evaluated as a function of ionic double layer composition and thickness. Systematically increasing the citrate concentration during synthesis improves nanomaterial shape homogeneity; however, further elevations of citrate concentration increase the number of internal and/or external atomic defects in the nanomaterials which leads to decreasing solution-phase stability. Next, spherical gold nanoparticles are modified with self-assembled monolayer (SAM), modeled using interfacial energy calculations, and experimental characterized using transmission electron microscopy, NMR, extinction spectroscopy, zeta potential, X-ray photoelectron spectroscopy, and flocculation studies to assess the morphology, surface chemistry, optical properties, surface charge, SAM packing density, and nanoparticle stability, respectively. The number of molecules on the nanostructures increases with increasing ionic strength (by decreasing the electrostatic interfacial energy between assembled molecules) which subsequently promotes nanoparticle stability. Third, plastic antibodies that recognize three drugs commonly used to treat migraines are engineered. These methacrylate-based MIPs are synthesized, extracted, characterized, and used to quantitatively and directly detect over-the-counter drugs in complex samples using Raman microscopy. These results along with numerical approximation methods to estimate drug binding site densities and dissociation constants with the MIPs serve as a foundation for understanding how modest recognition selectivity of MIPs coupled with shifts in the vibrational energy modes from the drugs upon hydrogen binding to the polymer backbone promote sensitive and selective drug detection in complex samples. Finally, nanomaterial incorporation into MIPs for applications in SERS-based biosensors is evaluated. Importantly, gold nanorod concentration increases the detectability of the same drugs using MIPs as pre-concentration and recognition elements. This combination of materials, theory, and applications forms a solid foundation which should aid in the design and development of MIP nanobiosensors for specific and sensitive detection of small molecules in complex matrices.

Relationship between the catalytic properties of the products of the oxidative thermolysis of certain complexes and the porous structures of samples in the oxidation reactions of volatile organic compounds

NASA Astrophysics Data System (ADS)

Semushina, Yu. P.; Pechenyuk, S. I.; Kuzmich, L. F.; Knyazeva, A. I.

2017-01-01

The rate of the gas-phase oxidation of ethanol, 2-propanol, acetone, ethyl acetate, dioxane, and benzene with atmospheric oxygen is studied on surfaces of bimetallic oxide catalysts Co-Fe, Cu-Fe, Cr-Co, and Ni-Fe, prepared via thermal decomposition of double complex compounds in air. It is found that the rate of oxidation of volatile compounds depends on the volume of the transient pores in the catalyst sample. The rate of oxidation on the same catalyst at 350°C depends on the nature of the substance in the order: acetone > ethyl acetate > ethanol > propanol > dioxane, benzene.

Effect of Plasma Surface Finish on Wettability and Mechanical Properties of SAC305 Solder Joints

NASA Astrophysics Data System (ADS)

Kim, Kyoung-Ho; Koike, Junichi; Yoon, Jeong-Won; Yoo, Sehoon

2016-12-01

The wetting behavior, interfacial reactions, and mechanical reliability of Sn-Ag-Cu solder on a plasma-coated printed circuit board (PCB) substrate were evaluated under multiple heat-treatments. Conventional organic solderability preservative (OSP) finished PCBs were used as a reference. The plasma process created a dense and highly cross-linked polymer coating on the Cu substrates. The plasma finished samples had higher wetting forces and shorter zero-cross times than those with OSP surface finish. The OSP sample was degraded after sequential multiple heat treatments and reflow processes, whereas the solderability of the plasma finished sample was retained after multiple heat treatments. After the soldering process, similar microstructures were observed at the interfaces of the two solder joints, where the development of intermetallic compounds was observed. From ball shear tests, it was found that the shear force for the plasma substrate was consistently higher than that for the OSP substrate. Deterioration of the OSP surface finish was observed after multiple heat treatments. Overall, the plasma surface finish was superior to the conventional OSP finish with respect to wettability and joint reliability, indicating that it is a suitable material for the fabrication of complex electronic devices.

Introduction to Field Water-Quality Methods for the Collection of Metals - 2007 Project Summary

USGS Publications Warehouse

Allen, Monica L.

2008-01-01

The U.S. Geological Survey (USGS), Region VI of the U.S. Environmental Protection Agency (USEPA), and the Osage Nation presented three 3-day workshops, in June-August 2007, entitled ?Introduction to Field Water-Quality Methods for the Collection of Metals.? The purpose of the workshops was to provide instruction to tribes within USEPA Region VI on various USGS surface-water measurement methods and water-quality sampling protocols for the collection of surface-water samples for metals analysis. Workshop attendees included members from over 22 tribes and pueblos. USGS instructors came from Oklahoma, New Mexico, and Georgia. Workshops were held in eastern and south-central Oklahoma and New Mexico and covered many topics including presampling preparation, water-quality monitors, and sampling for metals in surface water. Attendees spent one full classroom day learning the field methods used by the USGS Water Resources Discipline and learning about the complexity of obtaining valid water-quality and quality-assurance data. Lectures included (1) a description of metal contamination sources in surface water; (2) introduction on how to select field sites, equipment, and laboratories for sample analysis; (3) collection of sediment in surface water; and (4) utilization of proper protocol and methodology for sampling metals in surface water. Attendees also were provided USGS sampling equipment for use during the field portion of the class so they had actual ?hands-on? experience to take back to their own organizations. The final 2 days of the workshop consisted of field demonstrations of current USGS water-quality sample-collection methods. The hands-on training ensured that attendees were exposed to and experienced proper sampling procedures. Attendees learned integrated-flow techniques during sample collection, field-property documentation, and discharge measurements and calculations. They also used enclosed chambers for sample processing and collected quality-assurance samples to verify their techniques. Benefits of integrated water-quality sample-collection methods are varied. Tribal environmental programs now have the ability to collect data that are comparable across watersheds. The use of consistent sample collection, manipulation, and storage techniques will provide consistent quality data that will enhance the understanding of local water resources. The improved data quality also will help the USEPA better document the condition of the region?s water. Ultimately, these workshops equipped tribes to use uniform sampling methods and to provide consistent quality data that are comparable across the region.

Space Weathering of Lunar Rocks and Regolith Grains

NASA Technical Reports Server (NTRS)

Keller, L. P.

2013-01-01

The exposed surfaces of lunar soil grains and lunar rocks become modified and coated over time with a thin rind of material (patina) through complex interactions with the space environment. These interactions encompass many processes including micrometeorite impacts, vapor and melt deposition, and solar wind implantation/sputtering effects that collectively are referred to as "space weathering". Studies of space weathering effects in lunar soils and rocks provide important clues to understanding the origin and evolution of the lunar regolith as well as aiding in the interpretation of global chemical and mineralogical datasets obtained by remote-sensing missions. The interpretation of reflectance spectra obtained by these missions is complicated because the patina coatings obscure the underlying rock mineralogy and compositions. Much of our understanding of these processes and products comes from decades of work on remote-sensing observations of the Moon, the analysis of lunar samples, and laboratory experiments. Space weathering effects collectively result in a reddened continuum slope, lowered albedo, and attenuated absorption features in reflectance spectra of lunar soils as compared to finely comminuted rocks from the same Apollo sites. Space weathering effects are largely surface-correlated, concentrated in the fine size fractions, and occur as amorphous rims on individual soil grains. Rims on lunar soil grains are highly complex and span the range between erosional surfaces modified by solar wind irradiation to depositional surfaces modified by the condensation of sputtered ions and impact-generated vapors. The optical effects of space weathering effects are directly linked to the production of nanophase Fe metal in lunar materials]. The size of distribution of nanophase inclusions in the rims directly affect optical properties given that large Fe(sup o) grains (approx 10 nm and larger) darken the sample (lower albedo) while the tiny Fe(sup o) grains (<5nm) are the primary agent in spectral "reddening". More recent work has focused on the nature and abundance of OH/H2O in the lunar regolith using orbital data and samples analyses. Advances in sample preparation techniques have made possible detailed analyses of patina-coated rock surfaces. Major advances are occurring in quantifying the rates and efficiency of space weathering processes through laboratory experimentation.

Elaboration of antibiofilm surfaces functionalized with antifungal-cyclodextrin inclusion complexes.

PubMed

Gharbi, Aïcha; Humblot, Vincent; Turpin, Frédéric; Pradier, Claire-Marie; Imbert, Christine; Berjeaud, Jean-Marc

2012-07-01

To tackle the loss of activity of surfaces functionalized by coating and covalently bound molecules to materials, an intermediate system implying the noncovalent immobilization of active molecules in the inner cavity of grafted cyclodextrins (CDs) was investigated. The antifungal and antibiofilm activities of the most stable complexes of Anidulafungin (ANF; echinocandin) and thymol (THY; terpen) in various CDs were demonstrated to be almost the same as the free molecules. The selected CD was covalently bond to self-assembled monolayers on gold surfaces. The immobilized antifungal agents reduced the number of culturable Candida albicans ATCC 3153 attached to the surface by 64 ± 8% for ANF and 75 ± 15% for THY. The inhibitory activity was persistent for THY-loaded samples, whereas it was completely lost for ANF-loaded surfaces after one use. However, reloading of the echinocandin restored the activity. Using fluorescent dying and confocal microscopy, it was proposed that the ANF-loaded surfaces inhibited the adherence of the yeasts, whereas the activity of immobilized THY was found fungicidal. This kind of tailored approach for functionalizing surfaces that could allow a progressive release of ANF or THY gave promising results but still needs to be improved to display a full activity. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Seasonal variation and partitioning of endocrine disrupting chemicals in waters and sediments of the Pearl River system, South China.

PubMed

Gong, Jian; Duan, Dandan; Yang, Yu; Ran, Yong; Chen, Diyun

2016-12-01

Endocrine disrupting chemicals (EDCs) were seasonally investigated in surface water, suspended particulate matter, and sediments of the Pearl River Delta (PRD), South China. EDC concentrations in the surface water were generally higher in the summer than in winter. The surface water in the investigated rivers was heavily contaminated by the phenolic xenoestrogens. Moreover, the in-situ log K soc and log K poc values and their regression with log K ow in the field experiments suggest that binding mechanisms other than hydrophobic interaction are present for the sedimentary organic carbon and particulate organic carbon (SOC/POC). The logK soc -logK ow and logK poc -logK ow regression analyses imply that higher complexity of nonhydrophobic interactions with EDCs is present on the SOC samples comparing with the POC samples, which is related to their different sources. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multiple Replica Repulsion Technique for Efficient Conformational Sampling of Biological Systems

PubMed Central

Malevanets, Anatoly; Wodak, Shoshana J.

2011-01-01

Here, we propose a technique for sampling complex molecular systems with many degrees of freedom. The technique, termed “multiple replica repulsion” (MRR), does not suffer from poor scaling with the number of degrees of freedom associated with common replica exchange procedures and does not require sampling at high temperatures. The algorithm involves creation of multiple copies (replicas) of the system, which interact with one another through a repulsive potential that can be applied to the system as a whole or to portions of it. The proposed scheme prevents oversampling of the most populated states and provides accurate descriptions of conformational perturbations typically associated with sampling ground-state energy wells. The performance of MRR is illustrated for three systems of increasing complexity. A two-dimensional toy potential surface is used to probe the sampling efficiency as a function of key parameters of the procedure. MRR simulations of the Met-enkephalin pentapeptide, and the 76-residue protein ubiquitin, performed in presence of explicit water molecules and totaling 32 ns each, investigate the ability of MRR to characterize the conformational landscape of the peptide, and the protein native basin, respectively. Results obtained for the enkephalin peptide reflect more closely the extensive conformational flexibility of this peptide than previously reported simulations. Those obtained for ubiquitin show that conformational ensembles sampled by MRR largely encompass structural fluctuations relevant to biological recognition, which occur on the microsecond timescale, or are observed in crystal structures of ubiquitin complexes with other proteins. MRR thus emerges as a very promising simple and versatile technique for modeling the structural plasticity of complex biological systems. PMID:21843487

Assessment of electrical conductivity as a surrogate measurement for water samples in a tracer injection experiment

USDA-ARS?s Scientific Manuscript database

The transport behavior of solutes in streams depends on chemical, physical, biological, and hydrodynamic processes. Although it is a very complex system, it is known that this behavior is greatly influenced by surface and subsurface flows. For this reason, tracer injection in the water flows is one ...

Hydrogeochemical processes and isotopes analysis. Study case: "La Línea Tunnel", Colombia

NASA Astrophysics Data System (ADS)

Piña, Adriana; Donado, Leonardo; Cramer, Thomas

2017-04-01

Hydrogeochemical and stable isotopes analyses have been widely used to identify recharge and discharge zones, flowpaths, type, origin and age of water, chemical processes between minerals and groundwater as well as effects caused by anthropogenic or natural pollution. In this paper we analyze the interactions between groundwater and surface water using as laboratory the tunnels located at the La Línea Massif in the Cordillera Central of the Colombian Andes. The massif is formed by two igneous-metamorphic fractured complexes (Cajamarca and Quebradagrande group) plus andesithic porphyry rocks from the tertiary period. There, eight main fault zones related to surface creeks were identified and main inflows inside the tunnels were reported. 60 water samples were collected in surface and inside the tunnel in fault zones in two different years, 2010 and 2015. To classify water samples, a multivariate statistical analysis combining Factor Analysis (FA) with Hierarchical Cluster Analysis (HCA) was performed. Then, analyses of the major chemical elements and water isotopes (18O, 2H and 3H) were used to define the origin of dissolved components and to analyse the evolution in time. Most samples were classified as bicarbonate calcite water or bicarbonate magnesium water type. Isotopic analyses show a characteristic behavior for east and west watershed and each geologic group. According to the FA and HCA, obtained factors and clusters are first related to the location of the samples (surface or tunnel samples) followed by the geology. Surface samples behave according to the Colombian meteoric line as inflows related to permeable faults while less permeable faults show hydrothermal processes. Finally, water evolution in time shows a decrease of pH, conductivity and Mg2+ related to silicate weathering or precipitation/dissolution processes that affect the spacing in fractures and consequently, the hydraulic properties.

Effects of Temperature on Microstructure and Wear of Salt Bath Nitrided 17-4PH Stainless Steel

NASA Astrophysics Data System (ADS)

Wang, Jun; Lin, Yuanhua; Fan, Hongyuan; Zeng, Dezhi; Peng, Qian; Shen, Baoluo

2012-08-01

Salt bath nitriding of 17-4 PH martensitic precipitation hardening stainless steels was conducted at 610, 630, and 650 °C for 2 h using a complex salt bath heat-treatment, and the properties of the nitrided surface were systematically evaluated. Experimental results revealed that the microstructure and phase constituents of the nitrided surface alloy are highly process condition dependent. When 17-4PH stainless steel was subjected to complex salt bathing nitriding, the main phase of the nitrided layer was expanded martensite (α'), expanded austenite (γN), CrN, Fe4N, and (Fe,Cr) x O y . In the sample nitrided above 610 °C, the expanded martensite transformed into expanded austenite. But in the sample nitrided at 650 °C, the expanded austenite decomposed into αN and CrN. The decomposed αN then disassembled into CrN and alpha again. The nitrided layer depth thickened intensively with the increasing nitriding temperature. The activation energy of nitriding in this salt bath was 125 ± 5 kJ/mol.

Chemical cross-linking of the urease complex from Helicobacter pylori and analysis by Fourier transform ion cyclotron resonance mass spectrometry and molecular modeling

NASA Astrophysics Data System (ADS)

Carlsohn, Elisabet; Ångström, Jonas; Emmett, Mark R.; Marshall, Alan G.; Nilsson, Carol L.

2004-05-01

Chemical cross-linking of proteins is a well-established method for structural mapping of small protein complexes. When combined with mass spectrometry, cross-linking can reveal protein topology and identify contact sites between the peptide surfaces. When applied to surface-exposed proteins from pathogenic organisms, the method can reveal structural details that are useful in vaccine design. In order to investigate the possibilities of applying cross-linking on larger protein complexes, we selected the urease enzyme from Helicobacter pylori as a model. This membrane-associated protein complex consists of two subunits: [alpha] (26.5 kDa) and [beta] (61.7 kDa). Three ([alpha][beta]) heterodimers form a trimeric ([alpha][beta])3 assembly which further associates into a unique dodecameric 1.1 MDa complex composed of four ([alpha][beta])3 units. Cross-linked peptides from trypsin-digested urease complex were analyzed by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and molecular modeling. Two potential cross-linked peptides (present in the cross-linked sample but undetectable in [alpha], [beta], and native complex) were assigned. Molecular modeling of urease [alpha][beta] complex and trimeric urease units ([alpha][beta])3 revealed a linkage site between the [alpha]-subunit and the [beta]-subunit, and an internal cross-linkage in the [beta]-subunit.

Interpretation of spectrophotometric surface properties of comet 67P/Churyumov-Gerasimenko by laboratory simulations of cometary analogs

NASA Astrophysics Data System (ADS)

Jost, Bernhard; Pommerol, Antoine; Poch, Olivier; Carrasco, Nathalie; Szopa, Cyril; Thomas, Nicolas

2015-11-01

The OSIRIS imaging system [1] onboard European Space Agency’s Rosetta mission has been orbiting the comet 67P/Churyumov-Gerasimenko (67P) since August 2014. It provides an enormous quantity of high resolution images of the nucleus in the visible spectral range. 67P revealed an unexpected diversity of complex surface structures and spectral properties have also been measured [2].To better interpret this data, a profound knowledge of laboratory analogs of cometary surfaces is essential. For this reason we have set up the LOSSy laboratory (Laboratory for Outflow Studies of Sublimating Materials) to study the spectrophotometric properties of ice-bearing cometary nucleus analogs. The main focus lies on the characterization of the surface evolution under simulated space conditions. The laboratory is equipped with two facilities: the PHIRE-2 radio-goniometer [3], designed to measure the bidirectional visible reflectance of samples under a wide range of geometries and the SCITEAS simulation chamber [4], designed to study the evolution of icy samples subliming under low pressure/temperature conditions by hyperspectral imaging in the VIS-NIR range. Different microscopes complement the two facilities.We present laboratory data of different types of fine grained ice particles mixed with non-volatile components (complex organic matter and minerals). As the ice sublimes, a deposition lag of non-volatile constituents is built-up on top of the ice, possibly mimic a cometary surface. The bidirectional reflectance of the samples have been characterized before and after the sublimation process.A comparison of our laboratory findings with recent OSIRIS data [5] will be presented.[1] Keller, H. U., et al., 2007, Space Sci. Rev., 128, 26[2] Thomas, N. , 2015, Science, 347, Issue 6220, aaa0440[3] Jost, B., submitted, Icarus[4] Pommerol, A., et al., 2015. Planet Space Sci 109:106-122.[5] Fornasier, S., et al., in press. Icarus, arXiv:1505.06888

Proximity Operations in Microgravity, a Robotic Solution for Maneuvering about an Asteroid Surface

NASA Astrophysics Data System (ADS)

Indyk, Stephen; Scheidt, David; Moses, Kenneth; Perry, Justin; Mike, Krystal

Asteroids remain some of the most under investigated bodies in the solar system. Addition-ally, there is a distinct lack of directly collected information. This is in part due to complex sampling and motion problems that must be overcome before more detailed missions can be formulated. The chief caveat lies in formulating a technique for precision operation in mi-crogravity. Locomotion, in addition to sample collection, involve forces significantly greater than the gravitational force keeping a robot on the surface. The design of a system that can successfully maneuver over unfamiliar surfaces void of natural anchor points is an incredible challenge. This problem was investigated at Johns Hopkins University Applied Physics Laboratory as part of the 2009 NASA Lunar and Planetary Academy. Examining the problem through a two-dimensional robotic simulation, a swarm robotics approach was applied. In simplest form, this was comprised of three grappling robots and one sampling robot. Connected by tethers, the grappling robots traverse a plane and reposition the sampling robot through tensioning the tethers. This presentation provides information on the design of the robotic system, as well as gait analysis and future considerations for a three dimensional system.

Influence of oxidation temperature on the oxide scale formation of NiCoCrAl coatings

NASA Astrophysics Data System (ADS)

Sugiarti, E.; Zaini, K. A.; Sundawa, R.; Wang, Y.; Ohnuki, S.; Hayashi, S.

2017-04-01

Intermetalic coatings of NiCoCrAl have been successfully developed on low carbon steel substrate to improve oxidation resistance in extreme environments. The influence of oxidation temperature on the oxide scale formation was studied in the temperature range of 600-1000 °C. The measurements were made in air under isothermal oxidation test for 100 h. The surface morphology showed that a cauliflower like structure developed entire the oxide scale of sample oxidized at 800 °C and 1000 °C, while partly distributed on the surface of sample oxidized at 600 °C. The XRD analysis identified Cr2O3 phase predominantly formed on the oxidized sample at 600 °C and meta-stable Al2O3 with several polymorphs crystalline structures: η, δ, θ, κ, and α-Al2O3 at relatively high temperatures, i.e. 800 °C and 1000 °C. A Cross-sectional microstructure showed that complex and porous structures formed on the top surface of 600 °C and 1000 °C samples. In contrast, a very thin oxide scale formed on 800 °C oxidized samples and it appeared to act as a diffusion barrier of oxygen to diffuse inward, hence could increase in the service life of carbon steel substrate.

Soil mercury levels in the area surrounding the Cerro Prieto geothermal complex, MEXICO.

PubMed

Pastrana-Corral, M A; Wakida, F T; García-Flores, E; Rodriguez-Mendivil, D D; Quiñonez-Plaza, A; Piñon-Colin, T D J

2016-08-01

Even though geothermal energy is a renewable energy source that is seen as cost-effective and environmentally friendly, emissions from geothermal plants can impact air, soil, and water in the vicinity of geothermal power plants. The Cerro Prieto geothermal complex is located 30 km southeast of the city of Mexicali in the Mexican state of Baja California. Its installed electricity generation capacity is 720 MW, being the largest geothermal complex in Mexico. The objective of this study was to evaluate whether the emissions generated by the geothermal complex have increased the soil mercury concentration in the surrounding areas. Fifty-four surface soil samples were collected from the perimeter up to an approximate distance of 7660 m from the complex. Additionally, four soil depth profiles were performed in the vicinity of the complex. Mercury concentration in 69 % of the samples was higher than the mercury concentration found at the baseline sites. The mercury concentration ranged from 0.01 to 0.26 mg/kg. Our results show that the activities of the geothermal complex have led to an accumulation of mercury in the soil of the surrounding area. More studies are needed to determine the risk to human health and the ecosystems in the study area.

Incremental Sampling Methodology (ISM). Part 1, Section 2: Principles

DTIC Science & Technology

2012-03-01

Many contaminants adhere to the surfaces of certain minerals  Organic carbon is composed of complex molecules that can act as molecular sponges...hydroxide particles “the iron in a cubic yard of soil [1-1.5 tons] is capable of adsorbing 0.5 to 5 lbs of soluble metals …or organics” (Vance...determine decision outcome!  ISM addresses the problems of both micro- and short-scale heterogeneity Set of co-located samples for uranium (mg/kg) As

Receptor density balances signal stimulation and attenuation in membrane-assembled complexes of bacterial chemotaxis signaling proteins

PubMed Central

Besschetnova, Tatiana Y.; Montefusco, David J.; Asinas, Abdalin E.; Shrout, Anthony L.; Antommattei, Frances M.; Weis, Robert M.

2008-01-01

All cells possess transmembrane signaling systems that function in the environment of the lipid bilayer. In the Escherichia coli chemotaxis pathway, the binding of attractants to a two-dimensional array of receptors and signaling proteins simultaneously inhibits an associated kinase and stimulates receptor methylation—a slower process that restores kinase activity. These two opposing effects lead to robust adaptation toward stimuli through a physical mechanism that is not understood. Here, we provide evidence of a counterbalancing influence exerted by receptor density on kinase stimulation and receptor methylation. Receptor signaling complexes were reconstituted over a range of defined surface concentrations by using a template-directed assembly method, and the kinase and receptor methylation activities were measured. Kinase activity and methylation rates were both found to vary significantly with surface concentration—yet in opposite ways: samples prepared at high surface densities stimulated kinase activity more effectively than low-density samples, whereas lower surface densities produced greater methylation rates than higher densities. FRET experiments demonstrated that the cooperative change in kinase activity coincided with a change in the arrangement of the membrane-associated receptor domains. The counterbalancing influence of density on receptor methylation and kinase stimulation leads naturally to a model for signal regulation that is compatible with the known logic of the E. coli pathway. Density-dependent mechanisms are likely to be general and may operate when two or more membrane-related processes are influenced differently by the two-dimensional concentration of pathway elements. PMID:18711126

Calendar Year 2011 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elvado Environmental LLC,

2012-12-01

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2011 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2011 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12more » grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. This report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and known extent of groundwater contamination. The CY 2011 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by the DOE Environmental Management (EM) contractor responsible for environmental cleanup on the ORR. In August 2011, URS | CH2M Oak Ridge LLC (UCOR) replaced Bechtel Jacobs Company LLC (BJC) as the DOE EM contractor. For this report, BJC/UCOR will be referenced as the managing contractor for CY 2011. Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC/UCOR (i.e., coordinating sample collection and sharing data) ensures that the CY 2011 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. This report contains a summary of information regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP including sampling locations and frequency; quality assurance (QA)/quality control (QC) sampling; sample collection and handling; field measurements and laboratory analytes; data management and data quality objective (DQO) evaluation; and groundwater elevation monitoring. However, this report does not include equivalent QA/QC or DQO evaluation information regarding the groundwater and surface water sampling and analysis activities associated with the monitoring programs implemented by BJC/UCOR. Such details are deferred to the respective programmatic plans and reports issued by BJC. Collectively, the groundwater and surface water monitoring data obtained during CY 2011 by the Y-12 GWPP and BJC/UCOR address DOE Order 436.1 and DOE Order 458.1 requirements for monitoring groundwater and surface water quality in areas (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring) and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). This report presents a summary evaluation of the monitoring data with regard to the respective objectives of surveillance monitoring and exit pathway/perimeter monitoring, based on the analytical results for the principal groundwater contaminants at Y-12: nitrate, uranium, volatile organic compounds (VOCs), gross alpha activity, and gross beta activity. This report summarizes the most pertinent findings regarding the principal contaminants, along with recommendations proposed for ongoing groundwater and surface water quality monitoring performed under the Y-12 GWPP.« less

Limitations of using Raman microscopy for the analysis of high-content-carbon-filled ethylene propylene diene monomer rubber.

PubMed

Ghanbari-Siahkali, Afshin; Almdal, Kristoffer; Kingshott, Peter

2003-12-01

The effects of laser irradiation on changes to the surface chemistry and structure of a commercially available ethylene propylene diene monomer (EPDM) rubber sample after Raman microscopy analysis was investigated. The Raman measurements were carried out with different levels of laser power on the sample, ranging from 4.55 mW to 0.09 mW. The surface of the EPDM was analyzed before and after laser exposure using X-ray photoelectron spectroscopy (XPS) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy. The techniques have surface probe depths of approximately < or = 10 nm and 1 microm, respectively. Both sets of analysis show that ingredients of the blended EPDM rubber "bloom" to the surface as a result of local heating that takes place due to the absorption of laser by carbon black during the Raman analysis. Scanning electron microscopy (SEM) analysis was also performed on the Raman analyzed areas to visually illustrate the effects created due to laser light exposure (i.e., burning marks). The change in surface chemistry also occurs in regions a few millimeters from the exposed sites, indicating that the effect is quite long range. However, this phenomenon has no major influence, as far as XPS or ATR-FTIR results disclose, on the backbone structure of the rubber sample. The results indicate that precautions should be taken when analyzing complex blended polymer samples using Raman spectroscopy.

Corrosion resistance and biocompatibility of magnesium alloy modified by alkali heating treatment followed by the immobilization of poly (ethylene glycol), fibronectin and heparin.

PubMed

Pan, Changjiang; Hu, Youdong; Hou, Yu; Liu, Tao; Lin, Yuebin; Ye, Wei; Hou, Yanhua; Gong, Tao

2017-01-01

In recent years, magnesium alloys are attracting more and more attention as a kind of biodegradable metallic biomaterials, however, their uncontrollable biodegradation speed in vivo and the limited surface biocompatibility hinder their clinical applications. In the present study, with the aim of improving the corrosion resistance and biocompatibility, the magnesium alloy (AZ31B) surface was modified by alkali heating treatment followed by the self-assembly of 3-aminopropyltrimethoxysilane (APTMS). Subsequently, poly (ethylene glycol) (PEG) and fibronectin or fibronectin/heparin complex were sequentially immobilized on the modified surface. The results of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and X-ray photoelectron spectroscopy (XPS) confirmed that the above molecules were successfully immobilized on the magnesium alloy surface. An excellent hydrophilic surface was obtained after the alkali heating treatment while the hydrophilicity decreased to some degree after the self-assembly of APTMS, the surface hydrophilicity was gradually improved again after the immobilization of PEG, fibronectin or fibronectin/heparin complex. The corrosion resistance of the control magnesium alloy was significantly improved by the alkali heating treatment. The self-assembly of APTMS and the following immobilization of PEG further enhanced the corrosion resistance of the substrates, however, the grafting of fibronectin or fibronectin/heparin complex slightly lowered the corrosion resistance. As compared to the pristine magnesium alloy, the samples modified by the immobilization of PEG and fibronectin/heparin complex presented better blood compatibility according to the results of hemolysis assay and platelet adhesion as well as the activated partial thromboplastin time (APTT). In addition, the modified substrates had better cytocompatibility to endothelial cells due to the improved anticorrosion and the introduction of fibronectin. The substrates modified by fibronectin or fibronectin/heparin complex can significantly promote endothelial cell adhesion and proliferation. Taking all these results into consideration, the method of the present study can be used for the surface modification of the magnesium alloy to simultaneously impart it better corrosion resistance, favorable blood compatibility and good cytocompatibility to endothelial cells. Copyright © 2016 Elsevier B.V. All rights reserved.

Interfacial exciplex formation in bilayers of conjugated polymers.

PubMed

Nobuyasu, R S; Araujo, K A S; Cury, L A; Jarrosson, T; Serein-Spirau, F; Lère-Porte, J-P; Dias, F B; Monkman, A P

2013-10-28

The donor-acceptor interactions in sequential bilayer and blend films are investigated. Steady-state and time-resolved photoluminescence (PL) were measured to characterize the samples at different geometries of photoluminescence collection. At standard excitation, with the laser incidence at 45° of the normal direction of the sample surface, a band related to the aggregate states of donor molecules appears for both blend and bilayer at around 540 nm. For the PL spectra acquired from the edge of the bilayer, with the laser incidence made at normal direction of the sample surface (90° geometry), a new featureless band emission, red-shifted from donor and acceptor emission regions was observed and assigned as the emission from interfacial exciplex states. The conformational complexity coming from donor/acceptor interactions at the heterojunction interface of the bilayer is at the origin of this interfacial exciplex emission.

Thermally controlled growth of surface nanostructures on ion-modified AIII-BV semiconductor crystals

NASA Astrophysics Data System (ADS)

Trynkiewicz, Elzbieta; Jany, Benedykt R.; Wrana, Dominik; Krok, Franciszek

2018-01-01

The primary motivation for our systematic study is to provide a comprehensive overview of the role of sample temperature on the pattern evolution of several AIII-BV semiconductor crystal (001) surfaces (i.e., InSb, InP, InAs, GaSb) in terms of their response to low-energy Ar+ ion irradiation conditions. The surface morphology and the chemical diversity of such ion-modified binary materials has been characterized by means of scanning electron microscopy (SEM). In general, all surface textures following ion irradiation exhibit transitional behavior from small islands, via vertically oriented 3D nanostructures, to smoothened surface when the sample temperature is increased. This result reinforces our conviction that the mass redistribution of adatoms along the surface plays a vital role during the formation and growth process of surface nanostructures. We would like to emphasize that this paper addresses in detail for the first time the topic of the growth kinetics of the nanostructures with regard to thermal surface diffusion, while simultaneously offering some possible approaches to supplementing previous studies and therein gaining a new insight into this complex issue. The experimental results are discussed with reference to models of the pillars growth, abutting on preferential sputtering, the self-sustained etch masking effect and the redeposition process recently proposed to elucidate the observed nanostructuring mechanism.

Imaging and three-dimensional reconstruction of chemical groups inside a protein complex using atomic force microscopy

NASA Astrophysics Data System (ADS)

Kim, Duckhoe; Sahin, Ozgur

2015-03-01

Scanning probe microscopes can be used to image and chemically characterize surfaces down to the atomic scale. However, the localized tip-sample interactions in scanning probe microscopes limit high-resolution images to the topmost atomic layer of surfaces, and characterizing the inner structures of materials and biomolecules is a challenge for such instruments. Here, we show that an atomic force microscope can be used to image and three-dimensionally reconstruct chemical groups inside a protein complex. We use short single-stranded DNAs as imaging labels that are linked to target regions inside a protein complex, and T-shaped atomic force microscope cantilevers functionalized with complementary probe DNAs allow the labels to be located with sequence specificity and subnanometre resolution. After measuring pairwise distances between labels, we reconstruct the three-dimensional structure formed by the target chemical groups within the protein complex using simple geometric calculations. Experiments with the biotin-streptavidin complex show that the predicted three-dimensional loci of the carboxylic acid groups of biotins are within 2 Å of their respective loci in the corresponding crystal structure, suggesting that scanning probe microscopes could complement existing structural biological techniques in solving structures that are difficult to study due to their size and complexity.

A sensitive plasmonic copper(II) sensor based on gold nanoparticles deposited on ITO glass substrate.

PubMed

Ding, Lijun; Gao, Yan; Di, Junwei

2016-09-15

Gold nanoparticles (Au NPs) based plasmonic probe was developed for sensitive and selective detection of Cu(2+) ion. The Au NPs were self-assembled on transparent indium tin oxide (ITO) film coated glass substrate using poly dimethyl diallyl ammonium chloride (PDDA) as a linker and then calcined at 400°C to obtain pure Au NPs on ITO surface (ITO/Au NPs). The probe was fabricated by functionalizing l-cysteine (Cys) on to gold surface (ITO/Au NPs/Cys). The strong chelation of Cu(2+) with Cys formed a stable Cys-Cu complex, and resulted in the red-shift of localized surface plasmon resonance (LSPR) peak of the Au NPs. The introduction of bovine serum albumin (BSA) as the second complexant could form complex of Cys-Cu-BAS and further markedly enhanced the red-shift of the LSPR peak. This plasmonic probe provided a highly sensitive and selective detection towards Cu(2+) ions, with a wide linear detection range (10(-11)-10(-5)M) over 6 orders of magnitude. The simple and cost-effective probe was successfully applied to the determination of Cu(2+) in real samples. Copyright © 2016 Elsevier B.V. All rights reserved.

[The experimental evaluation of the possibility of the penetration of enteric viruses from the surface into the pulp of contaminated fruits and vegetables].

PubMed

Sergevnin, V I; Ladeyshchikova, Yu I; Sarmometov, E V; Podgorunskaya, I L; Kudrevatykh, E V

2014-01-01

According to the results of complex microbiological examination of samples of vegetables, fruits and grapes there was established significant contamination of them with opportunistic bacteria, antigens of intestinal viruses and cysts of intestinal Protozoa, that confirms the epidemiological role of these products as factors in transmission of acute intestinal infections. There was revealed ribonucleic acid of enteric viruses in experimentally infected pulp from the surface of tomatoes and apples, that indicates to the possibility of penetration of these pathogens into the fruits and vegetables through intact (having no visible damages) surface.

Genetic landscapes GIS Toolbox: tools to map patterns of genetic divergence and diversity.

USGS Publications Warehouse

Vandergast, Amy G.; Perry, William M.; Lugo, Roberto V.; Hathaway, Stacie A.

2011-01-01

The Landscape Genetics GIS Toolbox contains tools that run in the Geographic Information System software, ArcGIS, to map genetic landscapes and to summarize multiple genetic landscapes as average and variance surfaces. These tools can be used to visualize the distribution of genetic diversity across geographic space and to study associations between patterns of genetic diversity and geographic features or other geo-referenced environmental data sets. Together, these tools create genetic landscape surfaces directly from tables containing genetic distance or diversity data and sample location coordinates, greatly reducing the complexity of building and analyzing these raster surfaces in a Geographic Information System.

Occupational exposure to fungi and particles in animal feed industry.

PubMed

Viegas, Carla; Faria, Tiago; Carolino, Elisabete; Sabino, Raquel; Gomes, Anita Quintal; Viegas, Susana

Very few studies regarding fungal and particulate matter (PM) exposure in feed industry have been reported, although such contaminants are likely to be a significant contributing factor to several symptoms reported among workers. The purpose of this study has been to characterize fungal and dust exposure in one Portuguese feed industry. Air and surface samples were collected and subject to further macro- and microscopic observations. In addition we collected other air samples in order to perform real-time quantitative polymerase chain reaction (PCR) amplification of genes from Aspergillus fumigatus and Aspergillus flavus complexes as well as Stachybotrys chartarum. Additionally, two exposure metrics were considered - particle mass concentration (PMC), measured in 5 different sizes (PM0.5, PM1, PM2.5, PM5, PM10), and particle number concentration (PNC) based on results given in 6 different sizes in terms of diameter (0.3 μm, 0.5 μm, 1 μm, 2.5 μm, 5 μm and 10 μm). Species from the Aspergillus fumigatus complex were the most abundant in air (46.6%) and in surfaces, Penicillium genus was the most frequently found (32%). The only DNA was detected from A. fumigatus complex. The most prevalent in dust samples were smaller particles which may reach deep into the respiratory system and trigger not only local effects but also the systemic ones. Future research work must be developed aiming at assessing the real health effects of these co-exposures. Med Pr 2016;67(2):143-154. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex.

PubMed

Keinan, Shahar; Nocek, Judith M; Hoffman, Brian M; Beratan, David N

2012-10-28

Formation of a transient [myoglobin (Mb), cytochrome b(5) (cyt b(5))] complex is required for the reductive repair of inactive ferri-Mb to its functional ferro-Mb state. The [Mb, cyt b(5)] complex exhibits dynamic docking (DD), with its cyt b(5) partner in rapid exchange at multiple sites on the Mb surface. A triple mutant (Mb(3M)) was designed as part of efforts to shift the electron-transfer process to the simple docking (SD) regime, in which reactive binding occurs at a restricted, reactive region on the Mb surface that dominates the docked ensemble. An electrostatically-guided brownian dynamics (BD) docking protocol was used to generate an initial ensemble of reactive configurations of the complex between unrelaxed partners. This ensemble samples a broad and diverse array of heme-heme distances and orientations. These configurations seeded all-atom constrained molecular dynamics simulations (MD) to generate relaxed complexes for the calculation of electron tunneling matrix elements (T(DA)) through tunneling-pathway analysis. This procedure for generating an ensemble of relaxed complexes combines the ability of BD calculations to sample the large variety of available conformations and interprotein distances, with the ability of MD to generate the atomic level information, especially regarding the structure of water molecules at the protein-protein interface, that defines electron-tunneling pathways. We used the calculated T(DA) values to compute ET rates for the [Mb(wt), cyt b(5)] complex and for the complex with a mutant that has a binding free energy strengthened by three D/E → K charge-reversal mutations, [Mb(3M), cyt b(5)]. The calculated rate constants are in agreement with the measured values, and the mutant complex ensemble has many more geometries with higher T(DA) values than does the wild-type Mb complex. Interestingly, water plays a double role in this electron-transfer system, lowering the tunneling barrier as well as inducing protein interface remodeling that screens the repulsion between the negatively-charged propionates of the two hemes.

Occurrence and distribution of pesticides and volatile organic compounds in ground water and surface water in Central Arizona Basins, 1996-98, and their relation to land use

USGS Publications Warehouse

Gellenbeck, Dorinda J.; Anning, David W.

2002-01-01

Samples of ground water and surface water from the Sierra Vista subbasin, the Upper Santa Cruz Basin, and the West Salt River Valley were collected and analyzed to determine the occurrence and distribution of pesticides and volatile organic compounds in central Arizona. The study was done during 1996-98 within the Central Arizona Basins study unit of the National Water-Quality Assessment program. This study included 121 wells and 4 surface-water sites in the 3 basins and the analyses of samples from 4 sites along the Santa Cruz River that were part of a separate study. Samples were collected from 121 wells and 3 surface-water sites for pesticide analyses, and samples were collected from 109 wells and 3 surface-water sites for volatile organic compound analyses. Certain pesticides detected in ground water and surface water can be related specifically to agricultural or urban uses; others can be related to multiple land uses. Effects from historical agriculture are made evident by detections of DDE in ground-water and surface-water samples collected in the West Salt River Valley and detections of atrazine and deethylatrazine in the ground water in the Upper Santa Cruz Basin. Effects from present agriculture are evident in the seasonal variability in concentrations of pre-emergent pesticides in surface-water samples from the West Salt River Valley. Several detections of DDE and dieldrin in surface water were higher than established water-quality limits. Effects of urban land use are made evident by detections of volatile organic compounds in ground water and surface water from the West Salt River Valley. Detections of volatile organic compounds in surface water from the Santa Cruz River near Nogales, Arizona, also are indications of the effects of urban land use. One detection of tetrachloroethene in ground water was higher than established water-quality limits. Water reuse is an important conservation technique in the Southwest; however, the reuse of water provides a transport mechanism for pesticides and volatile organic compounds to reach areas that are not normally affected by manmade compounds from specific land-use activities. The most complex mixture of pesticides and volatile organic compounds is in the West Salt River Valley and is the result of water-management practices and the combination of land uses in this basin throughout history.

Influence of Landscape Morphology and Vegetation Cover on the Sampling of Mixed Igneous Bodies

NASA Astrophysics Data System (ADS)

Perugini, Diego; Petrelli, Maurizio; Poli, Giampiero

2010-05-01

A plethora of evidence indicates that magma mixing processes can take place at any evolutionary stage of magmatic systems and that they are extremely common in both plutonic and volcanic environments (e.g. Bateman, 1995). Furthermore, recent studies have shown that the magma mixing process is governed by chaotic dynamics whose evolution in space and time generates complex compositional patterns that can span several length scales producing fractal domains (e.g. Perugini et al., 2003). The fact that magma mixing processes can produce igneous bodies exhibiting a large compositional complexity brings up the key question about the potential pitfalls that may be associated with the sampling of these systems for petrological studies. In particular, since commonly only exiguous portions of the whole magmatic system are available as outcrops for sampling, it is important to address the point whether the sampling may be considered representative of the complexity of the magmatic system. We attempt to address this crucial point by performing numerical simulations of chaotic magma mixing processes in 3D. The numerical system used in the simulations is the so-called ABC (Arnold-Beltrami-Childress) flow (e.g. Galluccio and Vulpiani, 1994), which is able to generate the contemporaneous occurrence of chaotic and regular streamlines in which the mixing efficiency is differently modulated. This numerical system has already been successfully utilized as a kinematic template to reproduce magma mixing structures observed on natural outcrops (Perugini et al., 2007). The best conditions for sampling are evaluated considering different landscape morphologies and percentages of vegetation cover. In particular, synthetic landscapes with different degree of roughness are numerically reproduced using the Random Mid-point Displacement Method (RMDM; e.g. Fournier et al., 1982) in two dimensions and superimposed to the compositional fields generated by the magma mixing simulation. Vegetation cover is generated using a random Brownian motion process in 2D. Such an approach allows us to produce vegetation patches that closely match the general topology of natural vegetation (e.g., Mandelbrot, 1982). Results show that the goodness of sampling is strongly dependant on the roughness of the landscape, with highly irregular morphologies being the best candidates to give the most complete information on the whole magma body. Conversely, sampling on flat or nearly flat surfaces should be avoided because they may contain misleading information about the magmatic system. Contrary to common sense, vegetation cover does not appear to significantly influence the representativeness of sampling if sample collection occurs on topographically irregular outcrops. Application of the proposed method for sampling area selection is straightforward. The irregularity of natural landscapes and the percentage of vegetation can be estimated by using natural landscapes extracted from digital elevation models (DEM) of the Earth's surface and satellite images by employing a variety of methods (e.g., Develi and Babadagli, 1998), thus giving one the opportunity to select a priori the best outcrops for sampling. References Bateman R (1995) The interplay between crystallization, replenishment and hybridization in large felsic magma chambers. Earth Sci Rev 39: 91-106 Develi K, Babadagli T (1998) Quantfication of natural fracture surfaces using fractal geometry. Math Geol 30: 971-998 Fournier A, Fussel D, Carpenter L (1982) Computer rendering of stochastic models. Comm ACM 25: 371-384 Galluccio S, Vulpiani A (1994) Stretching of material lines and surfaces in systems with Lagrangian chaos. Physica A 212: 75-98 Mandelbrot BB (1982) The fractal geometry of nature. W. H. Freeman, San Francisco Perugini D, Petrelli M, Poli G (2007) A Virtual Voyage through 3D Structures Generated by Chaotic Mixing of Magmas and Numerical Simulations: a New Approach for Understanding Spatial and Temporal Complexity of Magma Dynamics, Visual Geosciences, 10.1007/s10069-006-0004-x Perugini D, Poli G, Mazzuoli R (2003) Chaotic advection, fractals and diffusion during mixing of magmas: evidences from lava flows. J Volcanol Geotherm Res 124: 255-279

Research on identification and determination of mixed pesticides in apples using surface enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Zhai, Chen; Li, Yongyu; Peng, Yankun; Xu, Tianfeng; Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei

2015-05-01

Residual pesticides in fruits and vegetables have become one of the major food safety concerns around the world. At present, routine analytical methods used for the determination of pesticide residue on the surface of fruits and vegetables are destructive, complex, time-consuming, high cost and not environmentally friendly. In this study, a novel Surface Enhanced Raman Spectroscopy (SERS) method with silver colloid was developed for fast and sensitive nondestructive detection of residual pesticides in fruits and vegetables by using a self-developed Raman system. SERS technology is a combination of Raman spectroscopy and nanotechnology. SERS can greatly enhance the Raman signal intensity, achieve single-molecule detection, and has a simple sample pre-treatment characteristic of high sensitivity and no damage; in recent years it has begun to be used in food safety testing research. In this study a rapid and sensitive method was developed to identify and analyze mixed pesticides of chlorpyrifos, deltamethrin and acetamiprid in apple samples by SERS. Silver colloid was used for SERS measurement by hydroxylamine hydrochloride reduced. The advantages of this method are seen in its fast preparation at room temperature, good reproducibility and immediate applicability. Raman spectrum is highly interfered by noise signals and fluorescence background, which make it too complex to get good result. In this study the noise signals and fluorescence background were removed by Savitzky-Golay filter and min-max signal adaptive zooming method. Under optimal conditions, pesticide residues in apple samples can be detected by SERS at 0.005 μg/cm2 and 0.002 μg/cm2 for individual acetamiprid and thiram, respectively. When mixing the two pesticides at low concentrations, their characteristic peaks can still be identified from the SERS spectrum of the mixture. Based on the synthesized material and its application in SERS operation, the method represents an ultrasensitive SERS performance in apple samples detection without sample pre-treatment, which indicates that it could be served as a useful means in monitoring pesticide residues.

Immobilized copper(II) macrocyclic complex on MWCNTs with antibacterial activity

NASA Astrophysics Data System (ADS)

Tarlani, Aliakbar; Narimani, Khashayar; Mohammadipanah, Fatemeh; Hamedi, Javad; Tahermansouri, Hasan; Amini, Mostafa M.

2015-06-01

In a new approach, a copper(II) tetraaza macrocyclic complex (CuTAM) was covalently bonded on modified multi-walled carbon nanotubes (MWCNTs). To achieve this purpose, MWCNTs were converted to MWCNT-COCl and then reacted to NH groups of TAM ligand. The prepared material was characterized by Fourier Transform Infrared (FT-IR), X-ray diffraction (XRD), Raman spectroscopy, thermal gravimetric analysis (TGA), and FESEM (field emission scanning electron microscopy). FT-IR and TGA demonstrated the presence of the organic moieties, and XRD proved that the structure of MWCNTs remained intact during the three modification steps. An increase in the ID/IG ratio in Raman spectra confirmed the surface modifications. Finally, the samples were subjected to an antibacterial assessment to compare their biological activity. The antibacterial test showed that the grafted complex on the surface of the nanotube (MWCNT-CO-CuTAM) has higher antibacterial activity against Bacillus subtilis ATCC 6633 than the MWCNT-COOH and CuTAM with 1000 and 2000 μg/mL.

Optical and Scanning Electron Microscopy of the Materials International Space Station Experiment (MISSE) Spacecraft Silicone Experiment

NASA Technical Reports Server (NTRS)

Hung, Ching-cheh; de Groh, Kim K.; Banks, Bruce A.

2012-01-01

Under a microscope, atomic oxygen (AO) exposed silicone surfaces are crazed and seen as "islands" separated by numerous crack lines, much analogous to mud-tile cracks. This research characterized and compared the degree of AO degradation of silicones by analyzing optical microscope images of samples exposed to low Earth orbit (LEO) AO as part of the Spacecraft Silicone Experiment. The Spacecraft Silicone Experiment consisted of eight DC 93-500 silicone samples exposed to eight different AO fluence levels (ranged from 1.46 to 8.43 10(exp 21) atoms/sq cm) during two different Materials International Space Station Experiment (MISSE) missions. Image analysis software was used to analyze images taken using a digital camera. To describe the morphological degradation of each AO exposed flight sample, three different parameters were selected and estimated: (1) average area of islands was determined and found to be in the 1000 to 3100 sq mm range; (2) total length of crack lines per unit area of the sample surface were determined and found to be in the range of 27 to 59 mm of crack length per sq mm of sample surface; and (3) the fraction of sample surface area that is occupied by crack lines was determined and found to be in the 25 to 56 percent range. In addition, average crack width can be estimated from crack length and crack area measurements and was calculated to be about 10 mm. Among the parameters studied, the fraction of sample surface area that is occupied by crack lines is believed to be most useful in characterizing the degree of silicone conversion to silicates by AO because its value steadily increases with increasing fluence over the entire fluence range. A series of SEM images from the eight samples exposed to different AO fluences suggest a complex sequence of surface stress due to surface shrinkage and crack formation, followed by re-distribution of stress and shrinking rate on the sample surface. Energy dispersive spectra (EDS) indicated that upon AO exposure, carbon content on the surface decreased relatively quickly at the beginning, to 32 percent of the pristine value for the least exposed sample in this set of experiments (1.46 10(exp 21) atoms/sq cm), but then decreased slowly, to 22 percent of the pristine value for the most exposed sample in this set of experiment (8.43 10(exp 21) atoms/sq cm). The oxygen content appears to increase at a slower rate. The least and most AO exposed samples were, respectively, 52 and 150 percent above the pristine values. The silicone samples with the greater AO exposure (7.75 10(exp 21) atoms/sq cm and higher) appear to have a surface layer which contains SiO2 with perhaps small amounts of unreacted silicone, CO and CO2 sealed inside.

Response surface method in geotechnical/structural analysis, phase 1

NASA Astrophysics Data System (ADS)

Wong, F. S.

1981-02-01

In the response surface approach, an approximating function is fit to a long running computer code based on a limited number of code calculations. The approximating function, called the response surface, is then used to replace the code in subsequent repetitive computations required in a statistical analysis. The procedure of the response surface development and feasibility of the method are shown using a sample problem in slop stability which is based on data from centrifuge experiments of model soil slopes and involves five random soil parameters. It is shown that a response surface can be constructed based on as few as four code calculations and that the response surface is computationally extremely efficient compared to the code calculation. Potential applications of this research include probabilistic analysis of dynamic, complex, nonlinear soil/structure systems such as slope stability, liquefaction, and nuclear reactor safety.

Some effects on SPM based surface measurement

NASA Astrophysics Data System (ADS)

Wenhao, Huang; Yuhang, Chen

2005-01-01

The scanning probe microscope (SPM) has been used as a powerful tool for nanotechnology, especially in surface nanometrology. However, there are a lot of false images and modifications during the SPM measurement on the surfaces. This is because of the complex interaction between the SPM tip and the surface. The origin is not only due to the tip material or shape, but also to the structure of the sample. So people are paying much attention to draw true information from the SPM images. In this paper, we present some simulation methods and reconstruction examples for the microstructures and surface roughness based on SPM measurement. For example, in AFM measurement, we consider the effects of tip shape and dimension, also the surface topography distribution in both height and space. Some simulation results are compared with other measurement methods to verify the reliability.

Determination of B-complex vitamins in pharmaceutical formulations by surface-enhanced Raman spectroscopy.

PubMed

Junior, Benedito Roberto Alvarenga; Soares, Frederico Luis Felipe; Ardila, Jorge Armando; Durango, Luis Guillermo Cuadrado; Forim, Moacir Rossi; Carneiro, Renato Lajarim

2018-01-05

The aim of this work was to quantify B-complex vitamins in pharmaceutical samples by surface enhanced Raman spectroscopy technique using gold colloid substrate. Synthesis of gold nanoparticles was performed according to an adapted Turkevich method. Initial essays were able to suggest the orientation of molecules on gold nanoparticles surface. Central Composite design was performed to obtain the highest SERS signal for nicotinamide and riboflavin. The evaluated parameters in the experimental design were volume of AuNPs, concentration of vitamins and sodium chloride concentration. The best condition for nicotinamide was NaCl 2.3×10 -3 molL -1 and 700μL of AuNPs colloid and this same condition showed to be adequate to quantify thiamine. The experimental design for riboflavin shows the best condition at NaCl 1.15×10 -2 molL -1 and 2.8mL of AuNPs colloid. It was possible to quantify thiamine and nicotinamide in presence of others vitamins and excipients in two solid multivitamin formulations using the standard addition procedure. The standard addition curve presented a R 2 higher than 0.96 for both nicotinamide and thiamine, at orders of magnitude 10 -7 and 10 -8 molL -1 , respectively. The nicotinamide content in a cosmetic gel sample was also quantified by direct analysis presenting R 2 0.98. The t-student test presented no significant difference regarding HPLC method. Despite the experimental design performed for riboflavin, it was not possible its quantification in the commercial samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Self-similar slip distributions on irregular shaped faults

NASA Astrophysics Data System (ADS)

Herrero, A.; Murphy, S.

2018-06-01

We propose a strategy to place a self-similar slip distribution on a complex fault surface that is represented by an unstructured mesh. This is possible by applying a strategy based on the composite source model where a hierarchical set of asperities, each with its own slip function which is dependent on the distance from the asperity centre. Central to this technique is the efficient, accurate computation of distance between two points on the fault surface. This is known as the geodetic distance problem. We propose a method to compute the distance across complex non-planar surfaces based on a corollary of the Huygens' principle. The difference between this method compared to others sample-based algorithms which precede it is the use of a curved front at a local level to calculate the distance. This technique produces a highly accurate computation of the distance as the curvature of the front is linked to the distance from the source. Our local scheme is based on a sequence of two trilaterations, producing a robust algorithm which is highly precise. We test the strategy on a planar surface in order to assess its ability to keep the self-similarity properties of a slip distribution. We also present a synthetic self-similar slip distribution on a real slab topography for a M8.5 event. This method for computing distance may be extended to the estimation of first arrival times in both complex 3D surfaces or 3D volumes.

Solvent Separating Secondary Metabolites Directly from Biosynthetic Tissue for Surface-Assisted Laser Desorption Ionisation Mass Spectrometry

PubMed Central

Rudd, David; Benkendorff, Kirsten; Voelcker, Nicolas H.

2015-01-01

Marine bioactive metabolites are often heterogeneously expressed in tissues both spatially and over time. Therefore, traditional solvent extraction methods benefit from an understanding of the in situ sites of biosynthesis and storage to deal with heterogeneity and maximize yield. Recently, surface-assisted mass spectrometry (MS) methods namely nanostructure-assisted laser desorption ionisation (NALDI) and desorption ionisation on porous silicon (DIOS) surfaces have been developed to enable the direct detection of low molecular weight metabolites. Since direct tissue NALDI-MS or DIOS-MS produce complex spectra due to the wide variety of other metabolites and fragments present in the low mass range, we report here the use of “on surface” solvent separation directly from mollusc tissue onto nanostructured surfaces for MS analysis, as a mechanism for simplifying data annotation and detecting possible artefacts from compound delocalization during the preparative steps. Water, ethanol, chloroform and hexane selectively extracted a range of choline esters, brominated indoles and lipids from Dicathais orbita hypobranchial tissue imprints. These compounds could be quantified on the nanostructured surfaces by comparison to standard curves generated from the pure compounds. Surface-assisted MS could have broad utility for detecting a broad range of secondary metabolites in complex marine tissue samples. PMID:25786067

Spatial-temporal diagnostics of the system of a plasma stream interacting with a surface of heat resistant material

NASA Astrophysics Data System (ADS)

Chinnov, V. F.; Sargsyan, M. A.; Gadzhiev, M. Kh; Khromov, M. A.; Kavyrshin, D. I.; Chistolinov, A. V.

2018-01-01

In an automated measuring complex using optical and spectral methods the spatial and temporal changes in the parameters and composition of nitrogen plasma jet were investigated. The plasma jet was flowing out of the nozzle of the plasma torch with 10-12 kK temperature and acting on the sample of MPG-6 graphite. Due to the heating of the sample to the temperatures of 2.5-3 kK the influence of the sublimating material of the sample on the plasma composition and temperature in the near-surface region of the sample was investigated. An original method based on the analysis of movement of optical inhomogeneities in the plasma flow was used to estimate the plasma jet velocity in the region where it interacts with the sample. The combined analysis of the results of two-positioning video recordings opens up the possibility of determining spatial-temporal distributions of the plasma jet velocities, in medium and high pressure environments, in the ranges from few to thousands of m/s and 3-15 kK temperatures.

Electron- and photon-stimulated desorption of atomic hydrogen from radiation-modified alkali halide surfaces

NASA Astrophysics Data System (ADS)

Hudson, L. T.; Tolk, N. H.; Bao, C.; Nordlander, P.; Russell, D. P.; Xu, J.

2000-10-01

The desorption yields of excited hydrogen atoms from the surfaces of KCl, KBr, NaCl, NaF, and LiF have been measured as a function of incident photon and electron energy and flux, time of irradiation, dosing pressure of H2 and sample temperature. As these surfaces are exposed to H2 gas during electron or photon bombardment, the fluorescence from excited hydrogen atoms ejected from the surface is monitored. The desorption yields are found to be contingent upon surface damage induced by the incident particle radiation, leading to dissociative adsorption at surface sites containing an excess of alkali metal. A desorption mechanism is presented in which incident electrons or photons induce a valence excitation to a neutral, antibonding state of the surface alkali hydride molecule complex, leading to the desorption of hydrogen atoms possessing several eV of kinetic energy.

Detection of High Levels of Endocrine Activity in Selected Environmental Surface Water Samples Using ER, AR, and GR-mediated In Vitro Bioassays

EPA Science Inventory

Determining the associated health risks of exposure to complex mixtures in the environment is a recognized challenge. The Chemical Mixtures project, a collaborative effort between USEPA and USGS, is making a step in that direction by examining the co-occurrence of chemicals and b...

The Guaymas Basin Hiking Guide to Hydrothermal Mounds, Chimneys, and Microbial Mats: Complex Seafloor Expressions of Subsurface Hydrothermal Circulation

PubMed Central

Teske, Andreas; de Beer, Dirk; McKay, Luke J.; Tivey, Margaret K.; Biddle, Jennifer F.; Hoer, Daniel; Lloyd, Karen G.; Lever, Mark A.; Røy, Hans; Albert, Daniel B.; Mendlovitz, Howard P.; MacGregor, Barbara J.

2016-01-01

The hydrothermal mats, mounds, and chimneys of the southern Guaymas Basin are the surface expression of complex subsurface hydrothermal circulation patterns. In this overview, we document the most frequently visited features of this hydrothermal area with photographs, temperature measurements, and selected geochemical data; many of these distinct habitats await characterization of their microbial communities and activities. Microprofiler deployments on microbial mats and hydrothermal sediments show their steep geochemical and thermal gradients at millimeter-scale vertical resolution. Mapping these hydrothermal features and sampling locations within the southern Guaymas Basin suggest linkages to underlying shallow sills and heat flow gradients. Recognizing the inherent spatial limitations of much current Guaymas Basin sampling calls for comprehensive surveys of the wider spreading region. PMID:26925032

Role of annealing on the structural and optical properties of nanostructured diaceto bis-benzimidazole Mn(II) complex thin films

NASA Astrophysics Data System (ADS)

Praveen, P. A.; Babu, R. Ramesh; Ramamurthi, K.

2017-02-01

A coordination complex, manganese incorporated benzimidazole, thin films were prepared by chemical bath deposition method. Structural characterization of the deposited films, carried out by Fourier transform infrared spectroscopy, Raman and electron paramagnetic resonance spectral analyses, reveals the distorted tetrahedral environment of the metal ion with bis-benzimidazole ligand. Further the molecular composition of the deposited metal complex was estimated by energy-dispersive X-ray spectroscopy. The prepared thin films were thermally treated to study the effect of annealing temperature on the surface morphology and the results showed that the surface homogeneity of the films increased for thermally treated films up to 150 °C. But distortion and voids were observed for the films annealed at 200 °C. The Raman analysis reveals the molecular hydrogen bond distortion which leads to the evaporation of the metal complex from the thin film surface with respect to annealing temperature. The linear and nonlinear optical properties of the as prepared and annealed films were studied using ultraviolet-visible transmittance spectroscopy, second harmonic generation and Z-scan analyses. Films annealed at 150 °C show a better linear transmittance in the visible region and larger SHG efficiency and third order nonlinear susceptibility when compared with the other samples. Further, the film annealed at 150 °C was subjected to optical switching analysis and demonstrated to have an inverted switching behavior.

Controlling morphology in swelling-induced wrinkled surfaces

NASA Astrophysics Data System (ADS)

Breid, Derek Ronald

Wrinkles represent a pathway towards the spontaneous generation of ordered surface microstructure for applications in numerous fields. Examples of highly complex ordered wrinkle structures abound in Nature, but the ability to harness this potential for advanced material applications remains limited. This work focuses on understanding the relationship between the patterns on a wrinkled surface and the experimental conditions under which they form. Because wrinkles form in response to applied stresses, particular attention is given to the nature of the stresses in a wrinkling surface. The fundamental insight gained was then utilized to account for observed wrinkle formation phenomena within more complex geometric and kinetic settings. In order to carefully control and measure the applied stresses on a wrinkling film, a swelling-based system was developed using poly(dimethylsiloxane) (PDMS), surface-oxidized with a UV-ozone treatment. The swelling of the oxidized surface upon exposure to an ethanol vapor atmosphere was characterized using beam-bending experiments, allowing quantitative measurements of the applied stress. The wrinkle morphologies were characterized as a function of the overstress, defined as the ratio of the applied swelling stress to the critical buckling stress of the material. A transition in the dominant morphology of the wrinkled surfaces from dimple patterns to ridge patterns was observed at an overstress value of ˜2. The pattern dependence of wrinkles on the ratio of the principal stresses was examined by fabricating samples with a gradient prestress. When swollen, these samples exhibited a smooth morphological transition from non-equibiaxial to equibiaxial patterns, with prestrains as low as 2.5% exhibiting non-equibiaxial characteristics. This transition was seen both in samples with low and high overstresses. To explore the impact of these stress states in more complex geometries, wrinkling hemispherical surfaces with radii of curvature ranging from 50--1000 μm were fabricated using the same material system. Upon wrinkling, the hemispheres formed complex hierarchical assemblies reminiscent of naturally occurring structures. The curvature of a surface exhibited a correlation with its critical buckling stress, independent of other factors. This enables the surface curvature to be used as an independent control over the dimple-to-ridge transition which occurs as a function of overstress. As in the flat buckling surfaces, this transition was shown to occur at an overstress value of ˜2. Surface curvature was also shown to improve the observed hexagonal ordering of the dimple arrays, resulting in the formation of regular "golf ball" structures. Geometric effects in finite flat plates were also examined. Using circular masks during the oxidation process, plates with radii ranging from 0.4--8.6 mm were created. Upon wrinkling, a dimple-to-ridge transition was observed with increasing plate size, with the morphological switch occurring at a radius of ˜2 mm. This observed transition was not found to be due to the inherent mechanics of plates of different sizes, but instead to a reduction in the oxide conversion due to shadowing or stagnation caused by the masking process, which lowered the applied overstress. The shape of the finite plate was found to have little impact on the resulting wrinkle morphologies. Kinetic aspects of wrinkling were qualitatively characterized by observing the wrinkling process over the course of swelling. Wrinkling was observed to frontally propagate across the surface, and the ordering of the patterns which developed showed a qualitative correlation with the degree of uniformity in the advancing wrinkle front. Swelling with different solvents was found to lead to the formation of different patterns, based on the swelling kinetics of the UVO-treated PDMS upon exposure to each solvent.

Metal complexation properties of freshwater dissolved organic matter are explained by its aromaticity and by anthropogenic ligands.

PubMed

Baken, Stijn; Degryse, Fien; Verheyen, Liesbeth; Merckx, Roel; Smolders, Erik

2011-04-01

Dissolved organic matter (DOM) in surface waters affects the fate and environmental effects of trace metals. We measured variability in the Cd, Cu, Ni, and Zn affinity of 23 DOM samples isolated by reverse osmosis from freshwaters in natural, agricultural, and urban areas. Affinities at uniform pH and ionic composition were assayed at low, environmentally relevant free Cd, Cu, Ni, and Zn activities. The C-normalized metal binding of DOM varied 4-fold (Cu) or about 10-fold (Cd, Ni, Zn) among samples. The dissolved organic carbon concentration ranged only 9-fold in the waters, illustrating that DOM quality is an equally important parameter for metal complexation as DOM quantity. The UV-absorbance of DOM explained metal affinity only for waters receiving few urban inputs, indicating that in those waters, aromatic humic substances are the dominant metal chelators. Larger metal affinities were found for DOM from waters with urban inputs. Aminopolycarboxylate ligands (mainly EDTA) were detected at concentrations up to 0.14 μM and partly explained the larger metal affinity. Nickel concentrations in these surface waters are strongly related to EDTA concentrations (R2=0.96) and this is underpinned by speciation calculations. It is concluded that metal complexation in waters with anthropogenic discharges is larger than that estimated with models that only take into account binding on humic substances.

Hollow silica microspheres for buoyancy-assisted separation of infectious pathogens from stool.

PubMed

Weigum, Shannon E; Xiang, Lichen; Osta, Erica; Li, Linying; López, Gabriel P

2016-09-30

Separation of cells and microorganisms from complex biological mixtures is a critical first step in many analytical applications ranging from clinical diagnostics to environmental monitoring for food and waterborne contaminants. Yet, existing techniques for cell separation are plagued by high reagent and/or instrumentation costs that limit their use in many remote or resource-poor settings, such as field clinics or developing countries. We developed an innovative approach to isolate infectious pathogens from biological fluids using buoyant hollow silica microspheres that function as "molecular buoys" for affinity-based target capture and separation by floatation. In this process, antibody functionalized glass microspheres are mixed with a complex biological sample, such as stool. When mixing is stopped, the target-bound, low-density microspheres float to the air/liquid surface, which simultaneously isolates and concentrates the target analytes from the sample matrix. The microspheres are highly tunable in terms of size, density, and surface functionality for targeting diverse analytes with separation times of ≤2min in viscous solutions. We have applied the molecular buoy technique for isolation of a protozoan parasite that causes diarrheal illness, Cryptosporidium, directly from stool with separation efficiencies over 90% and low non-specific binding. This low-cost method for phenotypic cell/pathogen separation from complex mixtures is expected to have widespread use in clinical diagnostics as well as basic research. Copyright © 2016 Elsevier B.V. All rights reserved.

Advantages and challenges in automated apatite fission track counting

NASA Astrophysics Data System (ADS)

Enkelmann, E.; Ehlers, T. A.

2012-04-01

Fission track thermochronometer data are often a core element of modern tectonic and denudation studies. Soon after the development of the fission track methods interest emerged for the developed an automated counting procedure to replace the time consuming labor of counting fission tracks under the microscope. Automated track counting became feasible in recent years with increasing improvements in computer software and hardware. One such example used in this study is the commercial automated fission track counting procedure from Autoscan Systems Pty that has been highlighted through several venues. We conducted experiments that are designed to reliably and consistently test the ability of this fully automated counting system to recognize fission tracks in apatite and a muscovite external detector. Fission tracks were analyzed in samples with a step-wise increase in sample complexity. The first set of experiments used a large (mm-size) slice of Durango apatite cut parallel to the prism plane. Second, samples with 80-200 μm large apatite grains of Fish Canyon Tuff were analyzed. This second sample set is characterized by complexities often found in apatites in different rock types. In addition to the automated counting procedure, the same samples were also analyzed using conventional counting procedures. We found for all samples that the fully automated fission track counting procedure using the Autoscan System yields a larger scatter in the fission track densities measured compared to conventional (manual) track counting. This scatter typically resulted from the false identification of tracks due surface and mineralogical defects, regardless of the image filtering procedure used. Large differences between track densities analyzed with the automated counting persisted between different grains analyzed in one sample as well as between different samples. As a result of these differences a manual correction of the fully automated fission track counts is necessary for each individual surface area and grain counted. This manual correction procedure significantly increases (up to four times) the time required to analyze a sample with the automated counting procedure compared to the conventional approach.

Adaptive sampling strategies with high-throughput molecular dynamics

NASA Astrophysics Data System (ADS)

Clementi, Cecilia

Despite recent significant hardware and software developments, the complete thermodynamic and kinetic characterization of large macromolecular complexes by molecular simulations still presents significant challenges. The high dimensionality of these systems and the complexity of the associated potential energy surfaces (creating multiple metastable regions connected by high free energy barriers) does not usually allow to adequately sample the relevant regions of their configurational space by means of a single, long Molecular Dynamics (MD) trajectory. Several different approaches have been proposed to tackle this sampling problem. We focus on the development of ensemble simulation strategies, where data from a large number of weakly coupled simulations are integrated to explore the configurational landscape of a complex system more efficiently. Ensemble methods are of increasing interest as the hardware roadmap is now mostly based on increasing core counts, rather than clock speeds. The main challenge in the development of an ensemble approach for efficient sampling is in the design of strategies to adaptively distribute the trajectories over the relevant regions of the systems' configurational space, without using any a priori information on the system global properties. We will discuss the definition of smart adaptive sampling approaches that can redirect computational resources towards unexplored yet relevant regions. Our approaches are based on new developments in dimensionality reduction for high dimensional dynamical systems, and optimal redistribution of resources. NSF CHE-1152344, NSF CHE-1265929, Welch Foundation C-1570.

Surface characterization of ZnO/ZnMn{sub 2}O{sub 4} and Cu/Mn{sub 3}O{sub 4} powders obtained by thermal degradation of heterobimetallic complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barrault, Joeel, E-mail: joel.barrault@univ-poitiers.fr; Makhankova, Valeriya G., E-mail: leram@univ.kiev.ua; Khavryuchenko, Oleksiy V.

2012-03-15

From the selective transformation of the heterometallic (Zn-Mn or Cu-Mn) carboxylate complexes with 2,2 Prime -bipyridyl by thermal degradation at relatively low (350 Degree-Sign C) temperature, it was possible to get either well defined spinel ZnMn{sub 2}O{sub 4} over zinc oxide or well dispersed copper particles surrounded by a manganese oxide (Mn{sub 3}O{sub 4}) in a core-shell like structure. Morphology of the powder surface was examined by scanning electron microscopy with energy dispersive X-ray microanalysis (SEM/EDX). Surface composition was determined by X-ray photoelectron spectroscopy (XPS). Specific surface of the powders by nitrogen adsorption was found to be 33{+-}0.2 and 9{+-}0.06more » m{sup 2} g{sup -1} for Zn-Mn and Cu-Mn samples, respectively, which is comparable to those of commercial products. - Graphical abstract: From the selective transformation of heterometallic (Zn-Mn or Cu-Mn) carboxylate complexes, it was possible to get either well defined spinel ZnMn{sub 2}O{sub 4} over zinc oxide or well dispersed copper particles surrounded by a manganese oxide (Mn{sub 3}O{sub 4}) in a core-shell like structure. Highlights: Black-Right-Pointing-Pointer Thermal degradation of heterometallic complexes results in fine disperse particles. Black-Right-Pointing-Pointer Core-shell Cu/Mn{sub 3}O{sub 4} particles are obtained. Black-Right-Pointing-Pointer ZnMn{sub 2}O{sub 4} spinel layer covers ZnO particles.« less

Optical method and apparatus for detection of surface and near-subsurface defects in dense ceramics

DOEpatents

Ellingson, W.A.; Brada, M.P.

1995-06-20

A laser is used in a non-destructive manner to detect surface and near-subsurface defects in dense ceramics and particularly in ceramic bodies with complex shapes such as ceramic bearings, turbine blades, races, and the like. The laser`s wavelength is selected based upon the composition of the ceramic sample and the laser can be directed on the sample while the sample is static or in dynamic rotate or translate motion. Light is scattered off surface and subsurface defects using a preselected polarization. The change in polarization angle is used to select the depth and characteristics of surface/subsurface defects. The scattered light is detected by an optical train consisting of a charge coupled device (CCD), or vidicon, television camera which, in turn, is coupled to a video monitor and a computer for digitizing the image. An analyzing polarizer in the optical train allows scattered light at a given polarization angle to be observed for enhancing sensitivity to either surface or near-subsurface defects. Application of digital image processing allows subtraction of digitized images in near real-time providing enhanced sensitivity to subsurface defects. Storing known ``feature masks`` of identified defects in the computer and comparing the detected scatter pattern (Fourier images) with the stored feature masks allows for automatic classification of detected defects. 29 figs.

Computational modeling of carbohydrate recognition in protein complex

NASA Astrophysics Data System (ADS)

Ishida, Toyokazu

2017-11-01

To understand the mechanistic principle of carbohydrate recognition in proteins, we propose a systematic computational modeling strategy to identify complex carbohydrate chain onto the reduced 2D free energy surface (2D-FES), determined by MD sampling combined with QM/MM energy corrections. In this article, we first report a detailed atomistic simulation study of the norovirus capsid proteins with carbohydrate antigens based on ab initio QM/MM combined with MD-FEP simulations. The present result clearly shows that the binding geometries of complex carbohydrate antigen are determined not by one single, rigid carbohydrate structure, but rather by the sum of averaged conformations mapped onto the minimum free energy region of QM/MM 2D-FES.

Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator

NASA Astrophysics Data System (ADS)

Suh, Donghyuk; Radak, Brian K.; Chipot, Christophe; Roux, Benoît

2018-01-01

Molecular dynamics (MD) trajectories based on classical equations of motion can be used to sample the configurational space of complex molecular systems. However, brute-force MD often converges slowly due to the ruggedness of the underlying potential energy surface. Several schemes have been proposed to address this problem by effectively smoothing the potential energy surface. However, in order to recover the proper Boltzmann equilibrium probability distribution, these approaches must then rely on statistical reweighting techniques or generate the simulations within a Hamiltonian tempering replica-exchange scheme. The present work puts forth a novel hybrid sampling propagator combining Metropolis-Hastings Monte Carlo (MC) with proposed moves generated by non-equilibrium MD (neMD). This hybrid neMD-MC propagator comprises three elementary elements: (i) an atomic system is dynamically propagated for some period of time using standard equilibrium MD on the correct potential energy surface; (ii) the system is then propagated for a brief period of time during what is referred to as a "boosting phase," via a time-dependent Hamiltonian that is evolved toward the perturbed potential energy surface and then back to the correct potential energy surface; (iii) the resulting configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-end momentum reversal prescription is used at the end of the neMD trajectories to guarantee that the hybrid neMD-MC sampling propagator obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The hybrid neMD-MC sampling propagator is designed and implemented to enhance the sampling by relying on the accelerated MD and solute tempering schemes. It is also combined with the adaptive biased force sampling algorithm to examine. Illustrative tests with specific biomolecular systems indicate that the method can yield a significant speedup.

Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator.

PubMed

Suh, Donghyuk; Radak, Brian K; Chipot, Christophe; Roux, Benoît

2018-01-07

Molecular dynamics (MD) trajectories based on classical equations of motion can be used to sample the configurational space of complex molecular systems. However, brute-force MD often converges slowly due to the ruggedness of the underlying potential energy surface. Several schemes have been proposed to address this problem by effectively smoothing the potential energy surface. However, in order to recover the proper Boltzmann equilibrium probability distribution, these approaches must then rely on statistical reweighting techniques or generate the simulations within a Hamiltonian tempering replica-exchange scheme. The present work puts forth a novel hybrid sampling propagator combining Metropolis-Hastings Monte Carlo (MC) with proposed moves generated by non-equilibrium MD (neMD). This hybrid neMD-MC propagator comprises three elementary elements: (i) an atomic system is dynamically propagated for some period of time using standard equilibrium MD on the correct potential energy surface; (ii) the system is then propagated for a brief period of time during what is referred to as a "boosting phase," via a time-dependent Hamiltonian that is evolved toward the perturbed potential energy surface and then back to the correct potential energy surface; (iii) the resulting configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-end momentum reversal prescription is used at the end of the neMD trajectories to guarantee that the hybrid neMD-MC sampling propagator obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The hybrid neMD-MC sampling propagator is designed and implemented to enhance the sampling by relying on the accelerated MD and solute tempering schemes. It is also combined with the adaptive biased force sampling algorithm to examine. Illustrative tests with specific biomolecular systems indicate that the method can yield a significant speedup.

Effect of phosphate on U(VI) sorption to montmorillonite: Ternary complexation and precipitation barriers

NASA Astrophysics Data System (ADS)

Troyer, Lyndsay D.; Maillot, Fabien; Wang, Zheming; Wang, Zimeng; Mehta, Vrajesh S.; Giammar, Daniel E.; Catalano, Jeffrey G.

2016-02-01

Phosphate addition is a potential treatment method to lower the solubility of U(VI) in soil and groundwater systems by causing U(VI) phosphate precipitation as well as enhancing adsorption. Previous work has shown that iron oxide surfaces may facilitate the nucleation of U(VI) phosphate minerals and, that under weakly acidic conditions, phosphate also enhances U(VI) adsorption to such phases. Like iron oxides, clays are important reactive phases in the subsurface but little is known about the interaction of U(VI) and phosphate with these minerals. The effect of aqueous phosphate on U(VI) binding to Wyoming montmorillonite (SWy-2) in air-equilibrated systems was investigated. Equilibrium U(VI) uptake to montmorillonite was determined at pH 4, 6 and 8 at discrete initial phosphate concentrations between 0 and 100 μM. The observed behavior of U(VI) indicates a transition from adsorption to precipitation with increasing total uranium and phosphate concentrations at all pH values. At the highest phosphate concentration examined at each pH value, a barrier to U(VI) phosphate nucleation is observed. At lower concentrations, phosphate has no effect on macroscopic U(VI) adsorption. To assess the mechanisms of U(VI)-phosphate interactions on smectite surfaces, U(VI) speciation was investigated under selected conditions using laser-induced fluorescence spectroscopy (LIFS) and extended X-ray absorption fine-structure (EXAFS) spectroscopy. Samples above the precipitation threshold display EXAFS and LIFS spectral signatures consistent with the autunite family of U(VI) phosphate minerals. However, at lower U(VI) concentrations, changes in LIFS spectra upon phosphate addition suggest that U(VI)-phosphate ternary surface complexes form on the montmorillonite surface at pH 4 and 6 despite the lack of a macroscopic effect on adsorption. The speciation of solid-associated U(VI) below the precipitation threshold at pH 8 is dominated by U(VI)-carbonate surface complexes. This work reveals that ternary complexation may occur without a macroscopic signature, which is attributed to phosphate not appreciably binding to smectite in the absence of U(VI), with U(VI) surface complexes serving as the sole reactive surface sites for phosphate. This study shows that phosphate does not enhance U(VI) adsorption to smectite clay minerals, unlike oxide phases, and that a barrier to homogeneous nucleation of U(VI) phosphates was not affected by the presence of the smectite surface.

Fabrication of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using electrolysis plasma treatment

NASA Astrophysics Data System (ADS)

Meng, Jianbing; Dong, Xiaojuan; Wei, Xiuting; Yin, Zhanmin

2015-04-01

An anti-adhesion surface with a water contact angle of 167° was fabricated on aluminium samples of rubber plastic moulds by electrolysis plasma treatment using mixed electrolytes of C6H5O7(NH4)3 and Na2SO4, followed by fluorination. To optimise the fabrication conditions, several important processing parameters such as the discharge voltage, discharge time, concentrations of supporting electrolyte and stearic acid ethanol solution were examined systematically. Using scanning electron microscopy (SEM) to analyse surfaces morphology, micrometer scale pits, and protrusions were found on the surface, with numerous nanometer mastoids contained in the protrusions. These binary micro/nano-scale structures, which are similar to the micro-structures of soil-burrowing animals, play a critical role in achieving low adhesion properties. Otherwise, the anti-adhesion behaviours of the resulting samples were analysed by the atomic force microscope (AFM), Fourier-transform infrared spectrophotometer (FTIR), electrons probe micro-analyzer (EPMA), optical contact angle meter, digital Vickers microhardness (Hv) tester, and electronic universal testing. The results show that the electrolysis plasma treatment does not require complex processing parameters, using a simple device, and is an environment-friendly and effective method. Under the optimised conditions, the contact angle (CA) for the modified anti-adhesion surface is up to 167°, the sliding angle (SA) is less than 2°, roughness of the sample surface is only 0.409μm. Moreover, the adhesion force and Hv are 0. 9KN and 385, respectively.

Array biosensor: recent developments

NASA Astrophysics Data System (ADS)

Golden, Joel P.; Rowe-Taitt, Chris A.; Feldstein, Mark J.; Ligler, Frances S.

1999-05-01

A fluorescence-based immunosensor has been developed for simultaneous analyses of multiple samples for 1 to 6 different antigens. A patterned array of recognition antibodies immobilized on the surface of a planar waveguide is used to 'capture' analyte present in samples. Bound analyte is then quantified by means of fluorescent detector molecules. Upon excitation of the fluorescent label by a small diode laser, a CCD camera detects the pattern of fluorescent antigen:antibody complexes on the sensor surface. Image analysis software correlates the position of fluorescent signals with the identity of the analyte. A new design for a fluidics distribution system is shown, as well as results from assays for physiologically relevant concentrations of staphylococcal enterotoxin B (SEB), F1 antigen from Yersinia pestis, and D- dimer, a marker of sepsis and thrombotic disorders.

The adhesion performance of epoxy coating on AA6063 treated in Ti/Zr/V based solution

NASA Astrophysics Data System (ADS)

Zhu, Wen; Li, Wenfang; Mu, Songlin; Yang, Yunyu; Zuo, Xi

2016-10-01

An environment-friendly titanium/zirconium/vanadium-based (Ti/Zr/V) conversion coating was prepared on aluminum alloy 6063 (AA6063). The epoxy powder coatings were applied on the AA6063 samples with/without Ti/Zr/V conversion coatings via electrostatic spraying. The morphology and composition of the conversion coating were studied by scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS), respectively. The surface free energy components of AA6063 samples were measured by a static contact angle measuring device with Owens method. The adhesion properties of the epoxy coating on AA6063 treated with different conversion times were evaluated using a pull-off tester. The Ti/Zr/V conversion coating was mainly composed of metal oxide (TiO2, ZrO2, V2O5, Al2O3, etc.), metal fluoride (ZrF4, AlF3, etc.) and metal organic complex. The formation time of this conversion coating was reduced to 50 s. After such surface treatment, the samples' surface roughness was increased and the contact angle with water was decreased. Both the surface free energy and the work of adhesion were increased. The adhesion strength between the epoxy coating and AA6063 was enhanced significantly.

Indirect competitive immunoassay for the detection of fungicide Thiabendazole in whole orange samples by Surface Plasmon Resonance.

PubMed

Estevez, M-Carmen; Belenguer, Jose; Gomez-Montes, Silvia; Miralles, Javier; Escuela, Alfonso M; Montoya, Angel; Lechuga, Laura M

2012-12-07

A highly sensitive and specific SPR-based competitive immunoassay for the detection of Thiabendazole (TBZ) has been developed. An indirect format where a TBZ-protein conjugate is immobilized onto gold surfaces has been selected. Under the optimal conditions, a LOD of 0.67 nM (0.13 μg L(-1)) and an IC(50) of 3.2 nM (0.64 μg L(-1)) have been achieved which are comparable to the values obtained by conventional ELISA. Analysis of real samples has been attempted by first evaluating the influence of complex matrix samples coming from whole oranges and secondly measuring samples containing TBZ previously evaluated by chromatographic methods. A methanolic extraction procedure followed by a simple dilution in assay buffer has proven to be sufficient to measure orange samples using the developed immunoassay with an excellent recovery percentage. The sensitivity and the feasibility of measuring whole orange samples demonstrate the effectiveness and robustness of the SPR biosensor, which can be useful for the determination of TBZ in food at concentrations below the Maximum Residue Levels (MRLs) established by the European legislation.

An Incremental Weighted Least Squares Approach to Surface Lights Fields

NASA Astrophysics Data System (ADS)

Coombe, Greg; Lastra, Anselmo

An Image-Based Rendering (IBR) approach to appearance modelling enables the capture of a wide variety of real physical surfaces with complex reflectance behaviour. The challenges with this approach are handling the large amount of data, rendering the data efficiently, and previewing the model as it is being constructed. In this paper, we introduce the Incremental Weighted Least Squares approach to the representation and rendering of spatially and directionally varying illumination. Each surface patch consists of a set of Weighted Least Squares (WLS) node centers, which are low-degree polynomial representations of the anisotropic exitant radiance. During rendering, the representations are combined in a non-linear fashion to generate a full reconstruction of the exitant radiance. The rendering algorithm is fast, efficient, and implemented entirely on the GPU. The construction algorithm is incremental, which means that images are processed as they arrive instead of in the traditional batch fashion. This human-in-the-loop process enables the user to preview the model as it is being constructed and to adapt to over-sampling and under-sampling of the surface appearance.

Combining 3D human in vitro methods for a 3Rs evaluation of novel titanium surfaces in orthopaedic applications

PubMed Central

Stevenson, G.; Rehman, S.; Draper, E.; Hernández‐Nava, E.; Hunt, J.

2016-01-01

ABSTRACT In this study, we report on a group of complementary human osteoblast in vitro test methods for the preclinical evaluation of 3D porous titanium surfaces. The surfaces were prepared by additive manufacturing (electron beam melting [EBM]) and plasma spraying, allowing the creation of complex lattice surface geometries. Physical properties of the surfaces were characterized by SEM and profilometry and 3D in vitro cell culture using human osteoblasts. Primary human osteoblast cells were found to elicit greater differences between titanium sample surfaces than an MG63 osteoblast‐like cell line, particularly in terms of cell survival. Surface morphology was associated with higher osteoblast metabolic activity and mineralization on rougher titanium plasma spray coated surfaces than smoother surfaces. Differences in osteoblast survival and metabolic activity on titanium lattice structures were also found, despite analogous surface morphology at the cellular level. 3D confocal microscopy identified osteoblast organization within complex titanium surface geometries, adhesion, spreading, and alignment to the biomaterial strut geometries. Mineralized nodule formation throughout the lattice structures was also observed, and indicative of early markers of bone in‐growth on such materials. Testing methods such as those presented are not traditionally considered by medical device manufacturers, but we suggest have value as an increasingly vital tool in efficiently translating pre‐clinical studies, especially in balance with current regulatory practice, commercial demands, the 3Rs, and the relative merits of in vitro and in vivo studies. Biotechnol. Bioeng. 2016;113: 1586–1599. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc. PMID:26702609

Tailoring of the titanium surface by immobilization of heparin/fibronectin complexes for improving blood compatibility and endothelialization: an in vitro study.

PubMed

Li, Guicai; Yang, Ping; Liao, Yuzhen; Huang, Nan

2011-04-11

To improve the blood compatibility and endothelialization simultaneously and to ensure the long-term effectiveness of the cardiovascular implants, we developed a surface modification method, enabling the coimmobilization of biomolecules to metal surfaces. In the present study, a heparin and fibronectin mixture (Hep/Fn) covalently immobilized on a titanium (Ti) substrate for biocompatibility was investigated. Different systems [N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide and N-hydroxysuccinimide, electrostatic] were used for the formation of Hep/Fn layers. Atomic force microscopy (AFM) showed that the roughness of the silanized Ti surface decreased after the immobilization of Hep/Fn. Fourier transform infrared spectroscopy (FTIR), Toluidine Blue O (TBO) test, and immunochemistry assay showed that Hep/Fn mixture was successfully immobilized on Ti surface. Blood compatibility tests (hemolysis rate, APTT, platelet adhesion, fibrinogen conformational change) showed that the coimmobilized films of Hep/Fn mixture reduced blood hemolysis rate, prolonged blood coagulation time, reduced platelets activation and aggregation, and induced less fibrinogen conformational change compared with a bare Ti surface. Endothelial cell (EC) seeding showed more EC with better morphology on pH 4 samples than on pH 7 and EDC/NHS samples, which showed rounded and aggregated cells. Systematic evaluation showed that the pH 4 samples also had much better blood compatibility. All results suggest that the coimmobilized films of Hep/Fn can confer excellent antithrombotic properties and with good endothelialization. We envisage that this method will provide a potential and effective solution for the surface modification of cardiovascular implant materials.

Synergistic responses of superficial chemistry and micro topography of titanium created by wire-type electric discharge machining.

PubMed

Kataoka, Yu; Tamaki, Yukimichi; Miyazaki, Takashi

2011-01-01

Wire-type electric discharge machining has been applied to the manufacture of endosseous titanium implants as this computer associated technique allows extremely accurate complex sample shaping with an optimal micro textured surface during the processing. Since the titanium oxide layer is sensitively altered by each processing, the authors hypothesized that this technique also up-regulates biological responses through the synergistic effects of the superficial chemistry and micro topography. To evaluate the respective in vitro cellular responses on the superficial chemistry and micro topography of titanium surface processed by wire-type electric discharge, we used titanium-coated epoxy resin replica of the surface. An oxide layer on the titanium surface processed by wire-type electric discharge activated the initial responses of osteoblastic cells through an integrin-mediated mechanism. Since the mRNA expression of ALP on those replicas was up-regulated compared to smooth titanium samples, the micro topography of a titanium surface processed by wire-type electric discharge promotes the osteogenic potential of cells. The synergistic response of the superficial chemistry and micro topography of titanium processed by wire-type electric discharge was demonstrated in this study.

Ullmann-like reactions for the synthesis of complex two-dimensional materials

NASA Astrophysics Data System (ADS)

Quardokus, Rebecca C.; Tewary, V. K.; DelRio, Frank W.

2016-11-01

Engineering two-dimensional materials through surface-confined synthetic techniques is a promising avenue for designing new materials with tailored properties. Developing and understanding reaction mechanisms for surface-confined synthesis of two-dimensional materials requires atomic-level characterization and chemical analysis. Beggan et al (2015 Nanotechnology 26 365602) used scanning tunneling microscopy and x-ray photoelectron spectroscopy to elucidate the formation mechanism of surface-confined Ullmann-like coupling of thiophene substituted porphyrins on Ag(111). Upon surface deposition, bromine is dissociated and the porphyrins couple with surface adatoms to create linear strands and hexagonally packed molecules. Annealing the sample results in covalently-bonded networks of thienylporphyrin derivatives. A deeper understanding of surface-confined Ullmann-like coupling has the potential to lead to precision-engineered nano-structures through synthetic techniques. Contribution of the National Institute of Standards and Technology, not subject to copyright in the United States of America.

Effect of Build Angle on Surface Properties of Nickel Superalloys Processed by Selective Laser Melting

NASA Astrophysics Data System (ADS)

Covarrubias, Ernesto E.; Eshraghi, Mohsen

2018-03-01

Aerospace, automotive, and medical industries use selective laser melting (SLM) to produce complex parts through solidifying successive layers of powder. This additive manufacturing technique has many advantages, but one of the biggest challenges facing this process is the resulting surface quality of the as-built parts. The purpose of this research was to study the surface properties of Inconel 718 alloys fabricated by SLM. The effect of build angle on the surface properties of as-built parts was investigated. Two sets of sample geometries including cube and rectangular artifacts were considered in the study. It was found that, for angles between 15° and 75°, theoretical calculations based on the "stair-step" effect were consistent with the experimental results. Downskin surfaces showed higher average roughness values compared to the upskin surfaces. No significant difference was found between the average roughness values measured from cube and rectangular test artifacts.

DEVELOPMENT OF A PASSIVE, IN SITU, INTEGRATIVE ...

EPA Pesticide Factsheets

Until recently, hydrophobic, bioconcentratable compounds have been the primary focus of most environmental organic contaminant investigations, There is an increasing realization that a holistic hazard assessment of complex environmental contaminant mixtures requires data on the concentrations of hydrophilic organic contaminants as well. This group of compounds includes a wide variety of chemicals, including potentially endocrine disrupting and estrogenic contaminants which have been shown to contribute to numerous abnormalities such as impaired reproduction in aquatic organisms exposed in environmental waters. To address this issue, we developed a passive, in situ, sampling device (the Polar Organic Chemical Integrative Sampler or POCIS) which integratively concentrates trace levels of complex mixtures of hydrophilic environmental contaminants, enables the determination of their time-weighted average water concentrations and provides a screening assessment of the toxicological significance of the complex mixture of waterborne contaminants. Using a prototype sampler (effective membrane sampling surface area = 18.2 cm 2) linear uptake of selected herbicides and pharmaceuticals was observed for up to 56 days. Estimation of the ambient water concentrations of chemicals of interest is achieved by using appropriate uptake models and determination of POCIS chemical sampling rates. The research focused on in the subtasks is the development and application of state-of

High-speed holographic system for full-field transient vibrometry of the human tympanic membrane

NASA Astrophysics Data System (ADS)

Dobrev, I.; Harrington, E. J.; Cheng, T.; Furlong, C.; Rosowski, J. J.

2014-07-01

Understanding of the human hearing process requires the quantification of the transient response of the human ear and the human tympanic membrane (TM or eardrum) in particular. Current state-of-the-art medical methods to quantify the transient acousto-mechanical response of the TM provide only averaged acoustic or local information at a few points. This may be insufficient to fully describe the complex patterns unfolding across the full surface of the TM. Existing engineering systems for full-field nanometer measurements of transient events, typically based on holographic methods, constrain the maximum sampling speed and/or require complex experimental setups. We have developed and implemented of a new high-speed (i.e., > 40 Kfps) holographic system (HHS) with a hybrid spatio-temporal local correlation phase sampling method that allows quantification of the full-field nanometer transient (i.e., > 10 kHz) displacement of the human TM. The HHS temporal accuracy and resolution is validated versus a LDV on both artificial membranes and human TMs. The high temporal (i.e., < 24 μs) and spatial (i.e., >100k data points) resolution of our HHS enables simultaneous measurement of the time waveform of the full surface of the TM. These capabilities allow for quantification of spatially-dependent motion parameters such as energy propagation delays surface wave speeds, which can be used to infer local material properties across the surface of the TM. The HHS could provide a new tool for the investigation of the auditory system with applications in medical research, in-vivo clinical diagnosis as well as hearing aids design.

Surface complexation modeling of U(VI) adsorption by aquifer sediments from a former mill tailings site at Rifle, Colorado

USGS Publications Warehouse

Hyun, S.P.; Fox, P.M.; Davis, J.A.; Campbell, K.M.; Hayes, K.F.; Long, P.E.

2009-01-01

A study of U(VI) adsorption by aquifer sediment samples from a former uranium mill tailings site at Rifle, Colorado, was conducted under oxic conditions as a function of pH, U(VI), Ca, and dissolved carbonate concentration. Batch adsorption experiments were performed using <2mm size sediment fractions, a sand-sized fraction, and artificial groundwater solutions prepared to simulate the field groundwater composition. To encompass the geochemical conditions of the alluvial aquifer at the site, the experimental conditions ranged from 6.8 ?? 10-8 to 10-5 M in [U(VI)]tot, 7.2 to 8.0 in pH, 3.0 ?? 10-3 to 6.0 ?? 10 -3 M in [Ca2+], and 0.05 to 2.6% in partial pressure of carbon dioxide. Surface area normalized U(VI) adsorption Kd values for the sand and <2 mm sediment fraction were similar, suggesting a similar reactive surface coating on both fractions. A two-site two-reaction, nonelectrostatic generalized composite surface complexation model was developed and successfully simulated the U(VI) adsorption data. The model successfully predicted U(VI) adsorption observed from a multilevel sampling well installed at the site. A comparison of the model with the one developed previously for a uranium mill tailings site at Naturita, Colorado, indicated that possible calcite nonequilibrium of dissolved calcium concentration should be evaluated. The modeling results also illustrate the importance of the range of data used in deriving the best fit model parameters. ?? 2009 American Chemical Society.

Wide-field surface plasmon microscopy of nano- and microparticles: features, benchmarking, limitations, and bioanalytical applications

NASA Astrophysics Data System (ADS)

Nizamov, Shavkat; Scherbahn, Vitali; Mirsky, Vladimir M.

2017-05-01

Detection of nano- and micro-particles is an important task for chemical analytics, food industry, biotechnology, environmental monitoring and many other fields of science and industry. For this purpose, a method based on the detection and analysis of minute signals in surface plasmon resonance images due to adsorption of single nanopartciles was developed. This new technology allows one a real-time detection of interaction of single nano- and micro-particles with sensor surface. Adsorption of each nanoparticle leads to characteristic diffraction image whose intensity depends on the size and chemical composition of the particle. The adsorption rate characterizes volume concentration of nano- and micro-particles. Large monitored surface area of sensor enables a high dynamic range of counting and to a correspondingly high dynamic range in concentration scale. Depending on the type of particles and experimental conditions, the detection limit for aqueous samples can be below 1000 particles per microliter. For application of method in complex media, nanoparticle images are discriminated from image perturbations due to matrix components. First, the characteristic SPRM images of nanoparticles (templates) are collected in aqueous suspensions or spiked real samples. Then, the detection of nanoparticles in complex media using template matching is performed. The detection of various NPs in consumer products like cosmetics, mineral water, juices, and wines was shown at sub-ppb level. The method can be applied for ultrasensitive detection and analysis of nano- and micro-particles of biological (bacteria, viruses, endosomes), biotechnological (liposomes, protein nanoparticles for drug delivery) or technical origin.

Bioimprinted QCM sensors for virus detection-screening of plant sap.

PubMed

Dickert, Franz L; Hayden, Oliver; Bindeus, Roland; Mann, Karl-J; Blaas, Dieter; Waigmann, Elisabeth

2004-04-01

Surface imprinting techniques on polymer-coated quartz-crystal microbalances (QCM) have been used to detect tobacco mosaic viruses (TMV) in aqueous media. Molecularly imprinted polymers (MIP), tailor-made by self organisation of monomers around a template (TMV), were generated directly on the gold electrodes. Imprinted trenches on the polymer surface mimicking the shape and surface functionality of the virus serve as recognition sites for re-adsorption after washing out of the template. The sensors are applicable to TMV detection ranging from 100 ng mL(-1) to 1 mg mL(-1) within minutes. Furthermore, direct measurements without time-consuming sample preparation are possible in complex matrices such as tobacco plant sap.

Development of a solid surface fluorescence-based sensing system for aluminium monitoring in drinking water.

PubMed

Reyes, J F García; Barrales, P Ortega; Díaz, A Molina

2005-03-15

A novel, single and robust solid surface fluorescence-based sensing device assembled in a continuous flow system has been developed for the determination of trace amounts of aluminium in water samples. The proposed method is based on the transient immobilization of the target species on an appropriate active solid sensing zone (C(18) silica gel). The target species was the fluorogenic chelate, formed as a result of the on-line complexation of Al(III) with chromotropic acid (CA) at pH 4.1. The fluorescence of the complex is continuously monitored at an emission wavelength of 390nm upon excitation at 361nm. The instrumental, chemical and flow-injection variables affecting the fluorescence signal were carefully investigated and optimized. After selecting the most suitable conditions, the sensing system was calibrated in the range 10-500mugl(-1), obtaining a detection limit of 2.6mugl(-1), and a R.S.D. of 2.2%, with a sampling frequency of 24h(-1). In addition, the selectivity of the proposed methodology was evaluated by performing interference studies with different cations and anions which could affect the analytical response. Finally, the proposed method, which meets the EU regulations regarding the aluminium content in drinking waters, was satisfactorily applied to different water samples, with recoveries between 97 and 105%. The simplicity, low cost and easy operation are the main advantages of the present procedure.

Measuring helium bubble diameter distributions in tungsten with grazing incidence small angle x-ray scattering (GISAXS)

NASA Astrophysics Data System (ADS)

Thompson, M.; Kluth, P.; Doerner, R. P.; Kirby, N.; Riley, D.; Corr, C. S.

2016-02-01

Grazing incidence small angle x-ray scattering was performed on tungsten samples exposed to helium plasma in the MAGPIE and Pisces-A linear plasma devices to measure the size distributions of resulting helium nano-bubbles. Nano-bubbles were fitted assuming spheroidal particles and an exponential diameter distribution. These particles had mean diameters between 0.36 and 0.62 nm. Pisces-A exposed samples showed more complex patterns, which may suggest the formation of faceted nano-bubbles or nano-scale surface structures.

Long-term effects of peatland cultivation on soil physical and hydraulic properties: Case study in Canada

Treesearch

Dennis W. Hallema; Jonathan A. Lafond; Yann Périard; Silvio J. Gumiere; Ge Sun; Jean Caron

2015-01-01

Organic soils are an excellent substrate for commercial lettuce (Lactuca sativa L.) farming; however, drainage accelerates oxidation of the surface layer and reduces the water holding capacity, which is often lethal for crops that are sensitive to water stress. In this case study, we analyzed 942 peat samples from a large cultivated peatland complex...

Environmentally relevant chemical mixtures of concern in waters of United States tributaries to the Great Lakes

USGS Publications Warehouse

Elliott, Sarah M.; Brigham, Mark E.; Kiesling, Richard L.; Schoenfuss, Heiko L.; Jorgenson, Zachary G.

2018-01-01

The North American Great Lakes are a vital natural resource that provide fish and wildlife habitat, as well as drinking water and waste assimilation services for millions of people. Tributaries to the Great Lakes receive chemical inputs from various point and nonpoint sources, and thus are expected to have complex mixtures of chemicals. However, our understanding of the co‐occurrence of specific chemicals in complex mixtures is limited. To better understand the occurrence of specific chemical mixtures in the US Great Lakes Basin, surface water from 24 US tributaries to the Laurentian Great Lakes was collected and analyzed for diverse suites of organic chemicals, primarily focused on chemicals of concern (e.g., pharmaceuticals, personal care products, fragrances). A total of 181 samples and 21 chemical classes were assessed for mixture compositions. Basin wide, 1664 mixtures occurred in at least 25% of sites. The most complex mixtures identified comprised 9 chemical classes and occurred in 58% of sampled tributaries. Pharmaceuticals typically occurred in complex mixtures, reflecting pharmaceutical‐use patterns and wastewater facility outfall influences. Fewer mixtures were identified at lake or lake‐influenced sites than at riverine sites. As mixture complexity increased, the probability of a specific mixture occurring more often than by chance greatly increased, highlighting the importance of understanding source contributions to the environment. This empirically based analysis of mixture composition and occurrence may be used to focus future sampling efforts or mixture toxicity assessments. 

Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors

NASA Astrophysics Data System (ADS)

Zoete, V.; Michielin, O.; Karplus, M.

2003-12-01

A method is proposed for the estimation of absolute binding free energy of interaction between proteins and ligands. Conformational sampling of the protein-ligand complex is performed by molecular dynamics (MD) in vacuo and the solvent effect is calculated a posteriori by solving the Poisson or the Poisson-Boltzmann equation for selected frames of the trajectory. The binding free energy is written as a linear combination of the buried surface upon complexation, SAS bur, the electrostatic interaction energy between the ligand and the protein, Eelec, and the difference of the solvation free energies of the complex and the isolated ligand and protein, ΔGsolv. The method uses the buried surface upon complexation to account for the non-polar contribution to the binding free energy because it is less sensitive to the details of the structure than the van der Waals interaction energy. The parameters of the method are developed for a training set of 16 HIV-1 protease-inhibitor complexes of known 3D structure. A correlation coefficient of 0.91 was obtained with an unsigned mean error of 0.8 kcal/mol. When applied to a set of 25 HIV-1 protease-inhibitor complexes of unknown 3D structures, the method provides a satisfactory correlation between the calculated binding free energy and the experimental pIC 50 without reparametrization.

SUB-SURFACE MERIDIONAL FLOW, VORTICITY, AND THE LIFETIME OF SOLAR ACTIVE REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maurya, R. A.; Ambastha, A., E-mail: ramajor@prl.res.i, E-mail: ambastha@prl.res.i

Solar sub-surface fluid topology provides an indirect approach to examine the internal characteristics of active regions (ARs). Earlier studies have revealed the prevalence of strong flows in the interior of ARs having complex magnetic fields. Using the Doppler data obtained by the Global Oscillation Network Group project for a sample of 74 ARs, we have discovered the presence of steep gradients in meridional velocity at depths ranging from 1.5 to 5 Mm in flare productive ARs. The sample of these ARs is taken from the Carrington rotations 1980-2052 covering the period 2001 August-2007 January. The gradients showed an interesting hemisphericmore » trend of negative (positive) signs in the northern (southern) hemisphere, i.e., directed toward the equator. We have discovered three sheared layers in the depth range of 0-10 Mm, providing evidence of complex flow structures in several ARs. An important inference derived from our analysis is that the location of the deepest zero vertical vorticity is correlated with the remaining lifetime of ARs. This new finding may be employed as a tool for predicting the life expectancy of an AR.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elvado Environmental LLC

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2008 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2008 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions aremore » in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2008 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2008 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP including sampling locations and frequency; quality assurance (QA)/quality control (QC) sampling; sample collection and handling; field measurements and laboratory analytes; data management and data quality objective (DQO) evaluation; and groundwater elevation monitoring. However, this report does not include equivalent QA/QC or DQO evaluation information regarding the groundwater and surface water sampling and analysis activities associated with the monitoring programs implemented by BJC. Such details are deferred to the respective programmatic plans and reports issued by BJC (see Section 3.0).« less

NASA needs a long-term sample return strategy

NASA Astrophysics Data System (ADS)

Agee, C.

Sample return missions, as demonstrated by Apollo, can have a huge payoff for plan- etary science. Beyond NASAAfs current Discovery missions, Stardust and Genesis, there are no future U.S. sample return missions on the books. At this juncture, it would be desirable for NASA to develop a coherent, long-term strategy for sample return missions to prime targets such as Mars, Venus, and other solar system bodies. The roster of missions planned for this decade in NASAAfs Mars Program no longer includes a sample return. Arguments against an early Mars sample return (MSR) in- clude the high cost, high risk, and not knowing the Agright placeAh on the Martian surface to sample. On the other hand, answering many of the key scientific questions about Mars, including the search for life, may require sample return. In lieu of MSR, NASA plans, out to 2009, a mix of orbital and landed missions that will perform re- mote and in-situ science at Mars. One approach to MSR that may lead to success in the opportunities beyond 2009 is a series of simple missions where large rovers and complex instruments are replaced by robust Mars ascent vehicles and lander-based sampling techniques. AgMobilityAh and Agsample diversityAh in these early reconnaissance sample return missions are accomplished by sending each mission to a distinctly different location based on our understanding of Martian geology prior to launch. The expected wealth of knowledge from these simple sample return missions will help guide Mars exploration beyond 2020. Venus sample return (VSR) should also be a high priority in NASAAfs exploration of the solar system. Our understanding of the Venusian surface is fragmentary at best and the mineralogy in unknown. We have no verified meteorites from Venus and thus radiometric ages of the crust do not exist. Venusian science best done on Earth from a VSR would include (1) precise isotopic measurements of atmospheric gases, soil, and rock, (2) age dating of rock, (3) trace element chemistry of soil and rock, (4) charac- terization of very small phases, (5) characterization of complex weathering products, (6) detailed rock mineralogy and petrology.

Photocatalytic activity of low temperature oxidized Ti-6Al-4V.

PubMed

Unosson, Erik; Persson, Cecilia; Welch, Ken; Engqvist, Håkan

2012-05-01

Numerous advanced surface modification techniques exist to improve bone integration and antibacterial properties of titanium based implants and prostheses. A simple and straightforward method of obtaining uniform and controlled TiO(2) coatings of devices with complex shapes is H(2)O(2)-oxidation and hot water aging. Based on the photoactivated bactericidal properties of TiO(2), this study was aimed at optimizing the treatment to achieve high photocatalytic activity. Ti-6Al-4V samples were H(2)O(2)-oxidized and hot water aged for up to 24 and 72 h, respectively. Degradation measurements of rhodamine B during UV-A illumination of samples showed a near linear relationship between photocatalytic activity and total treatment time, and a nanoporous coating was observed by scanning electron microscopy. Grazing incidence X-ray diffraction showed a gradual decrease in crystallinity of the surface layer, suggesting that the increase in surface area rather than anatase formation was responsible for the increase in photocatalytic activity.

Imaging the internal structure of fluid upflow zones with detailed digital Parasound echosounder surveys

NASA Astrophysics Data System (ADS)

Spiess, V.; Zuehlsdorff, L.; von Lom-Keil, H.; Schwenk, T.

2001-12-01

Sites of venting fluids both with continuous and episodic supply often reveal complex surface and internal structures, which are difficult to image and cause problems to transfer results from local sampling towards a structural reconstruction and a quantification of (average) flux rates. Detailed acoustic and seismic surveys would be required to retrieve this information, but also an appropriate environment, where fluid migration can be properly imaged from contrasts to unaffected areas. Hemipelagic sediments are most suitable, since typically reflectors are coherent and of low lateral amplitude variation and structures are continuous over distances much longer than the scale of fluid migration features. During RV Meteor Cruise M473 and RV Sonne Cruise SO 149 detailed studies were carried out in the vicinity of potential fluid upflow zones in the Lower Congo Basin at 5oS in 3000 m water depth and at the Northern Cascadia Margin in 1000 m water depth. Unexpected sampling of massive gas hydrates from the sea floor as well as of carbonate concretions, shell fragments and different liveforms indicated active fluid venting in a typically hemipelagic realm. The acoustic signature of such zones includes columnar blanking, pockmark depressions at the sea floor, association with small offset faults (< 1m). A dedicated survey with closely spaced grid lines was carried out with the Parasound sediment echosounder (4 kHz), which data were digitally acquired with the ParaDigMA System for further processing and display, to image the spatial structure of the upflow zones. Due to the high data density amplitudes and other acoustic properties could be investigated in a 3D volume and time slices as well as reflector surfaces were analyzed. Pronounced lateral variations of reflection amplitudes within a complex pattern indicate potential pathways for fluid/gas migration and occurrences of near-surface gas hydrate deposits, which may be used to trace detailed surface evidence from side scan sonar imaging down to depth and support dedicated sampling.

Effect of metal complex formation on the potential of organic aerosols as cloud condensation nuclei

NASA Astrophysics Data System (ADS)

Furukawa, T.; Takahashi, Y.

2010-12-01

Secondary organic aerosols (SOA) play a key role on the solar radiation balance in troposphere, since SOA can act as cloud condensation nuclei (CCN) due to its high hygroscopic nature. Oxalic acid is one of the most dominant components of SOA, which has cooling effects of the earth by acting as CCN. However, it is uncertain whether the oxalic acid can exist as free oxalic acid or metal-oxalate complexes in aerosols, even if there is a largedifference in their solubilities into water. Consequently, XAFS measurement was conducted to demonstrate the presence of metal-oxalate complexes. Size fractionated aerosol samples were collected in Tsukuba (located at northeast about 60 km from Tokyo) using a low-volume Andersen-type air sampler. The sampler had eight stages and a back-up filter. The sampling was conducted during winter and summer in 2002. Calcium oxalate was observed in finer particles in each period from Ca K-edge XANES, and its fractions among total Ca were approximately 20%. Similarly,, Zn oxalate was also detected in finer particles from Zn K-edge XANES and EXAFS. The [Zn-oxalate] / [Zn]total ratio in each period clearly increased with the decrease in the particle diameter. This result revealed that Zn-oxalate was formed in the aqueous phase at particle surfaces or in cloud processing. In other words, Zn-oxalate was abundant at the particle surface, resulting from the increase in the [surface]/[bulk] ratio with decreasing particle size. Based on (i) total concentrations of oxalate, Ca, and Zn determined by ion-chromatography and ICP-AES analyses and (ii) Ca- and Zn- oxalate fractions obtained by XAFS, we determined the fraction of metal-oxalate complexes among total oxalate in aerosols. In winter, Ca- and Zn- oxalate fractions reached about 60% of total oxalate in the ranges of 1.1-2.1 μm and 0.65-1.1 μm, while the value was about 60-80% in the same particle size range in summer. On the other hand, Ca- and Zn- oxalates are highly insoluble, showing that the complexes cannot act as CCN. Therefore, the ability of oxalic acid as CCN is needed to be reconsidered, because most of oxalic acid in aerosols exists as metal-oxalate complexes as shown by XAFS spectroscopy in this study.

Identification of oral bacteria on titanium implant surfaces by 16S rDNA sequencing.

PubMed

de Melo, Fabiana; do Nascimento, Cássio; Souza, Diogo Onofre; de Albuquerque, Rubens F

2017-06-01

To characterize the profile of microbial communities colonizing titanium implants with different surface treatments after exposure to the oral environment at the genus or higher taxonomic level. Sixteen titanium disks, machined or sandblasted large-grit and acid-etched (SLA), were mounted on removable intraoral splints worn by four patients. After 24 h of intraoral exposure, biofilm samples were collected from disks and supra/subgingival teeth areas. The 16S rDNA genes from each sample were amplified, sequenced with the Miseq Illumina instrument and analyzed. A total of 29 genera and seven more inclusive taxa, representing the phyla Firmicutes, Proteobacteria, Fusobacteria, Bacteroidetes, Actinobacteria and candidate division TM7 were identified in both titanium surfaces and teeth. No differences were found in relation to the operational taxonomic units (OTUs) and microbial diversity, assessed by Chao 1 and Shannon indices, when comparing SLA and machined titanium surfaces. Machined and SLA surfaces are colonized by similar numbers of prokaryotic OTUs after 24 h of exposure to the oral environment. Higher complexity of the titanium surface topography in the initial phase of biofilm maturation does not seem to significantly influence the colonizing microbiota. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Yield surface evolution for columnar ice

NASA Astrophysics Data System (ADS)

Zhou, Zhiwei; Ma, Wei; Zhang, Shujuan; Mu, Yanhu; Zhao, Shunpin; Li, Guoyu

A series of triaxial compression tests, which has capable of measuring the volumetric strain of the sample, were conducted on columnar ice. A new testing approach of probing the experimental yield surface was performed from a single sample in order to investigate yield and hardening behaviors of the columnar ice under complex stress states. Based on the characteristic of the volumetric strain, a new method of defined the multiaxial yield strengths of the columnar ice is proposed. The experimental yield surface remains elliptical shape in the stress space of effective stress versus mean stress. The effect of temperature, loading rate and loading path in the initial yield surface and deformation properties of the columnar ice were also studied. Subsequent yield surfaces of the columnar ice have been explored by using uniaxial and hydrostatic paths. The evolution of the subsequent yield surface exhibits significant path-dependent characteristics. The multiaxial hardening law of the columnar ice was established experimentally. A phenomenological yield criterion was presented for multiaxial yield and hardening behaviors of the columnar ice. The comparisons between the theoretical and measured results indicate that this current model is capable of giving a reasonable prediction for the multiaxial yield and post-yield properties of the columnar ice subjected to different temperature, loading rate and path conditions.

The assessment of pi-pi selective stationary phases for two-dimensional HPLC analysis of foods: application to the analysis of coffee.

PubMed

Mnatsakanyan, Mariam; Stevenson, Paul G; Shock, David; Conlan, Xavier A; Goodie, Tiffany A; Spencer, Kylie N; Barnett, Neil W; Francis, Paul S; Shalliker, R Andrew

2010-09-15

Differences between alkyl, dipole-dipole, hydrogen bonding, and pi-pi selective surfaces represented by non-resonance and resonance pi-stationary phases have been assessed for the separation of 'Ristretto' café espresso by employing 2DHPLC techniques with C18 phase selectivity detection. Geometric approach to factor analysis (GAFA) was used to measure the detected peaks (N), spreading angle (beta), correlation, practical peak capacity (n(p)) and percentage usage of the separations space, as an assessment of selectivity differences between regional quadrants of the two-dimensional separation plane. Although all tested systems were correlated to some degree to the C18 dimension, regional measurement of separation divergence revealed that performance of specific systems was better for certain sample components. The results illustrate that because of the complexity of the 'real' sample obtaining a truly orthogonal two-dimensional system for complex samples of natural origin may be practically impossible. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Improvement of the Correlative AFM and ToF-SIMS Approach Using an Empirical Sputter Model for 3D Chemical Characterization.

PubMed

Terlier, T; Lee, J; Lee, K; Lee, Y

2018-02-06

Technological progress has spurred the development of increasingly sophisticated analytical devices. The full characterization of structures in terms of sample volume and composition is now highly complex. Here, a highly improved solution for 3D characterization of samples, based on an advanced method for 3D data correction, is proposed. Traditionally, secondary ion mass spectrometry (SIMS) provides the chemical distribution of sample surfaces. Combining successive sputtering with 2D surface projections enables a 3D volume rendering to be generated. However, surface topography can distort the volume rendering by necessitating the projection of a nonflat surface onto a planar image. Moreover, the sputtering is highly dependent on the probed material. Local variation of composition affects the sputter yield and the beam-induced roughness, which in turn alters the 3D render. To circumvent these drawbacks, the correlation of atomic force microscopy (AFM) with SIMS has been proposed in previous studies as a solution for the 3D chemical characterization. To extend the applicability of this approach, we have developed a methodology using AFM-time-of-flight (ToF)-SIMS combined with an empirical sputter model, "dynamic-model-based volume correction", to universally correct 3D structures. First, the simulation of 3D structures highlighted the great advantages of this new approach compared with classical methods. Then, we explored the applicability of this new correction to two types of samples, a patterned metallic multilayer and a diblock copolymer film presenting surface asperities. In both cases, the dynamic-model-based volume correction produced an accurate 3D reconstruction of the sample volume and composition. The combination of AFM-SIMS with the dynamic-model-based volume correction improves the understanding of the surface characteristics. Beyond the useful 3D chemical information provided by dynamic-model-based volume correction, the approach permits us to enhance the correlation of chemical information from spectroscopic techniques with the physical properties obtained by AFM.

Scales and Patterns of Nitrate Transport and Transformation in the Hyporheic Zone of a Lowland River

NASA Astrophysics Data System (ADS)

Naden, E.; Krause, S.; Tecklenburg, C.; Munz, M.

2009-04-01

The Hyporheic Zone (HZ) represents the spatially and temporally variable part of the streambed that is affected by the mixture of groundwater and surface water and often characterised by strong redox gradients and high turnover rates of redox reactive substances. The HZ has often been understood as a complex bioreactor with a high potential to affect groundwater-surface water exchange as well control the chemical signature of waters along the hyporheic passage. Currently, 73% of groundwater and 28% of UK rivers sampled exhibit either high nitrate levels or rising trends (Defra, 2008) Because of the high metabolic rates that have often be observed, the HZ is by many expected to potentially ameliorate groundwater nitrate fluxes and thus to reduce nitrate pollution and benefit freshwater ecosystems. The objective of this pilot study was to set up a monitoring program on a typical lowland river within glacio-fluvial deposits and well connected to the shallow groundwater aquifer. This study aims to derive a conceptual model of hyporheic exchange and nutrient metabolism in an agriculturally used lowland system including the development of upscaling strategies that allow for the assessment of hyporheic uptake or contribution on a subcatchment scale. The research area covers a 250 metre stream reach of the River Tern (Shropshire, UK), a lowland groundwater dependent surface water body at risk of failing to achieve ‘good water' status under the WFD, primarily due to diffuse agricultural pollution. In two horizontal arrays 42 multi piezometers have been installed in the river bed offering sampling from between three and eight sampling points ranging from 5 cm to 200 cm depth. These allow the sampling of streambed porewater from more than 150 locations. Additionally, ten shallow groundwater boreholes (up to 3m depth) have been installed within the riparian floodplain. From June to September 2008 head measurements were taken at the streambed piezometers, riparian groundwater boreholes and the river in order to determine the groundwater flowfield and exchange with the surface water. At the same time interval streambed pore water and riparian groundwater were sampled from piezometers and boreholes alongside surface water samples from the river. The samples were analysed for dissolved oxygen and major anion concentrations. Initial results confirm indicate that the water sources mixing in the HZ are statistically distinctive. In contrast to the many observed head water streams the exchange between groundwater and surface water is not just determined by gradually changing hydraulic conductivities of the sediment material but strongly controlled by the spatial pattern of a discontinuous impermeable regional peat layer located in 50 cm depth on average. The peat layer is separating the fluxes within the streambed into two (partially connected) flow systems, with semi-confined conditions underneath and pattern of surface water mixing above the peat. Areas where the peat layer is disrupted are characterised by strong connection of both flow systems. Dependent on flow paths and residence times redox conditions and nitrate concentrations are showing substantial changes along the hyporheic flow path. The spatial very heterogeneous patterns of nitrate concentrations in the streambed were found controlled by complex flow processes at multiple scales covering small scale hyporheic exchange in pools, riffles and sand bars as well as large scale pattern of groundwater - surface water connectivity and riparian influences.

Node-pore sensing enables label-free surface-marker profiling of single cells.

PubMed

Balakrishnan, Karthik R; Whang, Jeremy C; Hwang, Richard; Hack, James H; Godley, Lucy A; Sohn, Lydia L

2015-03-03

Flow cytometry is a ubiquitous, multiparametric method for characterizing cellular populations. However, this method can grow increasingly complex with the number of proteins that need to be screened simultaneously: spectral emission overlap of fluorophores and the subsequent need for compensation, lengthy sample preparation, and multiple control tests that need to be performed separately must all be considered. These factors lead to increased costs, and consequently, flow cytometry is performed in core facilities with a dedicated technician operating the instrument. Here, we describe a low-cost, label-free microfluidic method that can determine the phenotypic profiles of single cells. Our method employs Node-Pore Sensing to measure the transit times of cells as they interact with a series of different antibodies, each corresponding to a specific cell-surface antigen, that have been functionalized in a single microfluidic channel. We demonstrate the capabilities of our method not only by screening two acute promyelocytic leukemia human cells lines (NB4 and AP-1060) for myeloid antigens, CD13, CD14, CD15, and CD33, simultaneously, but also by distinguishing a mixture of cells of similar size—AP-1060 and NALM-1—based on surface markers CD13 and HLA-DR. Furthermore, we show that our method can screen complex subpopulations in clinical samples: we successfully identified the blast population in primary human bone marrow samples from patients with acute myeloid leukemia and screened these cells for CD13, CD34, and HLA-DR. We show that our label-free method is an affordable, highly sensitive, and user-friendly technology that has the potential to transform cellular screening at the benchside.

Research on effect of rough surface on FMCW laser radar range accuracy

NASA Astrophysics Data System (ADS)

Tao, Huirong

2018-03-01

The non-cooperative targets large scale measurement system based on frequency-modulated continuous-wave (FMCW) laser detection and ranging technology has broad application prospects. It is easy to automate measurement without cooperative targets. However, the complexity and diversity of the surface characteristics of the measured surface directly affects the measurement accuracy. First, the theoretical analysis of range accuracy for a FMCW laser radar was studied, the relationship between surface reflectivity and accuracy was obtained. Then, to verify the effect of surface reflectance for ranging accuracy, a standard tool ball and three standard roughness samples were measured within 7 m to 24 m. The uncertainty of each target was obtained. The results show that the measurement accuracy is found to increase as the surface reflectivity gets larger. Good agreements were obtained between theoretical analysis and measurements from rough surfaces. Otherwise, when the laser spot diameter is smaller than the surface correlation length, a multi-point averaged measurement can reduce the measurement uncertainty. The experimental results show that this method is feasible.

Profiling physicochemical and planktonic features from discretely/continuously sampled surface water.

PubMed

Oita, Azusa; Tsuboi, Yuuri; Date, Yasuhiro; Oshima, Takahiro; Sakata, Kenji; Yokoyama, Akiko; Moriya, Shigeharu; Kikuchi, Jun

2018-04-24

There is an increasing need for assessing aquatic ecosystems that are globally endangered. Since aquatic ecosystems are complex, integrated consideration of multiple factors utilizing omics technologies can help us better understand aquatic ecosystems. An integrated strategy linking three analytical (machine learning, factor mapping, and forecast-error-variance decomposition) approaches for extracting the features of surface water from datasets comprising ions, metabolites, and microorganisms is proposed herein. The three developed approaches can be employed for diverse datasets of sample sizes and experimentally analyzed factors. The three approaches are applied to explore the features of bay water surrounding Odaiba, Tokyo, Japan, as a case study. Firstly, the machine learning approach separated 681 surface water samples within Japan into three clusters, categorizing Odaiba water into seawater with relatively low inorganic ions, including Mg, Ba, and B. Secondly, the factor mapping approach illustrated Odaiba water samples from the summer as rich in multiple amino acids and some other metabolites and poor in inorganic ions relative to other seasons based on their seasonal dynamics. Finally, forecast-error-variance decomposition using vector autoregressive models indicated that a type of microalgae (Raphidophyceae) grows in close correlation with alanine, succinic acid, and valine on filters and with isobutyric acid and 4-hydroxybenzoic acid in filtrate, Ba, and average wind speed. Our integrated strategy can be used to examine many biological, chemical, and environmental physical factors to analyze surface water. Copyright © 2018. Published by Elsevier B.V.

A novel particle engineering technology to enhance dissolution of poorly water soluble drugs: spray-freezing into liquid.

PubMed

Rogers, True L; Nelsen, Andrew C; Hu, Jiahui; Brown, Judith N; Sarkari, Marazban; Young, Timothy J; Johnston, Keith P; Williams, Robert O

2002-11-01

A novel cryogenic spray-freezing into liquid (SFL) process was developed to produce microparticulate powders consisting of an active pharmaceutical ingredient (API) molecularly embedded within a pharmaceutical excipient matrix. In the SFL process, a feed solution containing the API was atomized beneath the surface of a cryogenic liquid such that the liquid-liquid impingement between the feed and cryogenic liquids resulted in intense atomization into microdroplets, which were frozen instantaneously into microparticles. The SFL micronized powder was obtained following lyophilization of the frozen microparticles. The objective of this study was to develop a particle engineering technology to produce micronized powders of the hydrophobic drug, danazol, complexed with hydroxypropyl-beta-cyclodextrin (HPbetaCD) and to compare these SFL micronized powders to inclusion complex powders produced from other techniques, such as co-grinding of dry powder mixtures and lyophilization of bulk solutions. Danazol and HPbetaCD were dissolved in a water/tetrahydrofuran cosolvent mixture prior to SFL processing or slow freezing. Identical quantities of the API and HPbetaCD used in the solutions were co-ground in a mortar and pestle and blended to produce a co-ground physical mixture for comparison. The powder samples were characterized by differential scanning calorimetry (DSC), powder X-ray diffraction (XRD), Fourier transform infrared spectrometry (FTIR), scanning electron microscopy, surface area analysis, and dissolution testing. The results provided by DSC, XRD, and FTIR suggested the formation of inclusion complexes by both slow-freezing and SFL. However, the specific surface area was significantly higher for the latter. Dissolution results suggested that equilibration of the danazol/HPbetaCD solution prior to SFL processing was required to produce the most soluble conformation of the resulting inclusion complex following SFL. SFL micronized powders exhibited better dissolution profiles than the slowly frozen aggregate powder. Results indicated that micronized SFL inclusion complex powders dissolved faster in aqueous dissolution media than inclusion complexes formed by conventional techniques due to higher surface areas and stabilized inclusion complexes obtained by ultra-rapid freezing.

The moisture outgassing kinetics of a silica reinforced polydimethylsiloxane

NASA Astrophysics Data System (ADS)

Sharma, H. N.; McLean, W.; Maxwell, R. S.; Dinh, L. N.

2016-09-01

A silica-filled polydimethylsiloxane (PDMS) composite M9787 was investigated for potential outgassing in a vacuum/dry environment with the temperature programmed desorption/reaction method. The outgassing kinetics of 463 K vacuum heat-treated samples, vacuum heat-treated samples which were subsequently re-exposed to moisture, and untreated samples were extracted using the isoconversional and constrained iterative regression methods in a complementary fashion. Density functional theory (DFT) calculations of water interactions with a silica surface were also performed to provide insight into the structural motifs leading to the obtained kinetic parameters. Kinetic analysis/model revealed that no outgassing occurs from the vacuum heat-treated samples in subsequent vacuum/dry environment applications at room temperature (˜300 K). The main effect of re-exposure of the vacuum heat-treated samples to a glove box condition (˜30 ppm by volume of H2O) for even a couple of days was the formation, on the silica surface fillers, of ˜60 ppm by weight of physisorbed and loosely bonded moisture, which subsequently outgasses at room temperature in a vacuum/dry environment in a time span of 10 yr. However, without any vacuum heat treatment and even after 1 h of vacuum pump down, about 300 ppm by weight of H2O would be released from the PDMS in the next few hours. Thereafter the outgassing rate slows down substantially. The presented methodology of using the isoconversional kinetic analysis results and some appropriate nature of the reaction as the constraints for more accurate iterative regression analysis/deconvolution of complex kinetic spectra, and of checking the so-obtained results with first principle calculations such as DFT can serve as a template for treating other complex physical/chemical processes as well.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, H. N.; McLean, W.; Maxwell, R. S.

We investigated a silica-filled polydimethylsiloxane (PDMS) composite M9787 for potential outgassing in a vacuum/dry environment with the temperature programmed desorption/reaction method. The outgassing kinetics of 463 K vacuum heat-treated samples, vacuum heat-treated samples which were subsequently re-exposed to moisture, and untreated samples were extracted using the isoconversional and constrained iterative regression methods in a complementary fashion. Density functional theory (DFT) calculations of water interactions with a silica surface were also performed to provide insight into the structural motifs leading to the obtained kinetic parameters. Kinetic analysis/model revealed that no outgassing occurs from the vacuum heat-treated samples in subsequent vacuum/dry environmentmore » applications at room temperature (~300 K). Moreover, the main effect of re-exposure of the vacuum heat-treated samples to a glove box condition (~30 ppm by volume of H 2O) for even a couple of days was the formation, on the silica surface fillers, of ~60 ppm by weight of physisorbed and loosely bonded moisture, which subsequently outgasses at room temperature in a vacuum/dry environment in a time span of 10 yr. However, without any vacuum heat treatment and even after 1 h of vacuum pump down, about 300 ppm by weight of H 2O would be released from the PDMS in the next few hours. Thereafter the outgassing rate slows down substantially. Our presented methodology of using the isoconversional kinetic analysis results and some appropriate nature of the reaction as the constraints for more accurate iterative regression analysis/deconvolution of complex kinetic spectra, and of checking the so-obtained results with first principle calculations such as DFT can serve as a template for treating other complex physical/chemical processes as well.« less

Determination of the complex refractive index segments of turbid sample with multispectral spatially modulated structured light and models approximation

NASA Astrophysics Data System (ADS)

Meitav, Omri; Shaul, Oren; Abookasis, David

2017-09-01

Spectral data enabling the derivation of a biological tissue sample's complex refractive index (CRI) can provide a range of valuable information in the clinical and research contexts. Specifically, changes in the CRI reflect alterations in tissue morphology and chemical composition, enabling its use as an optical marker during diagnosis and treatment. In the present work, we report a method for estimating the real and imaginary parts of the CRI of a biological sample using Kramers-Kronig (KK) relations in the spatial frequency domain. In this method, phase-shifted sinusoidal patterns at single high spatial frequency are serially projected onto the sample surface at different near-infrared wavelengths while a camera mounted normal to the sample surface acquires the reflected diffuse light. In the offline analysis pipeline, recorded images at each wavelength are converted to spatial phase maps using KK analysis and are then calibrated against phase-models derived from diffusion approximation. The amplitude of the reflected light, together with phase data, is then introduced into Fresnel equations to resolve both real and imaginary segments of the CRI at each wavelength. The technique was validated in tissue-mimicking phantoms with known optical parameters and in mouse models of ischemic injury and heat stress. Experimental data obtained indicate variations in the CRI among brain tissue suffering from injury. CRI fluctuations correlated with alterations in the scattering and absorption coefficients of the injured tissue are demonstrated. This technique for deriving dynamic changes in the CRI of tissue may be further developed as a clinical diagnostic tool and for biomedical research applications. To the best of our knowledge, this is the first report of the estimation of the spectral CRI of a mouse head following injury obtained in the spatial frequency domain.

The moisture outgassing kinetics of a silica reinforced polydimethylsiloxane

DOE PAGES

Sharma, H. N.; McLean, W.; Maxwell, R. S.; ...

2016-09-21

We investigated a silica-filled polydimethylsiloxane (PDMS) composite M9787 for potential outgassing in a vacuum/dry environment with the temperature programmed desorption/reaction method. The outgassing kinetics of 463 K vacuum heat-treated samples, vacuum heat-treated samples which were subsequently re-exposed to moisture, and untreated samples were extracted using the isoconversional and constrained iterative regression methods in a complementary fashion. Density functional theory (DFT) calculations of water interactions with a silica surface were also performed to provide insight into the structural motifs leading to the obtained kinetic parameters. Kinetic analysis/model revealed that no outgassing occurs from the vacuum heat-treated samples in subsequent vacuum/dry environmentmore » applications at room temperature (~300 K). Moreover, the main effect of re-exposure of the vacuum heat-treated samples to a glove box condition (~30 ppm by volume of H 2O) for even a couple of days was the formation, on the silica surface fillers, of ~60 ppm by weight of physisorbed and loosely bonded moisture, which subsequently outgasses at room temperature in a vacuum/dry environment in a time span of 10 yr. However, without any vacuum heat treatment and even after 1 h of vacuum pump down, about 300 ppm by weight of H 2O would be released from the PDMS in the next few hours. Thereafter the outgassing rate slows down substantially. Our presented methodology of using the isoconversional kinetic analysis results and some appropriate nature of the reaction as the constraints for more accurate iterative regression analysis/deconvolution of complex kinetic spectra, and of checking the so-obtained results with first principle calculations such as DFT can serve as a template for treating other complex physical/chemical processes as well.« less

Ultra-thin resin embedding method for scanning electron microscopy of individual cells on high and low aspect ratio 3D nanostructures.

PubMed

Belu, A; Schnitker, J; Bertazzo, S; Neumann, E; Mayer, D; Offenhäusser, A; Santoro, F

2016-07-01

The preparation of biological cells for either scanning or transmission electron microscopy requires a complex process of fixation, dehydration and drying. Critical point drying is commonly used for samples investigated with a scanning electron beam, whereas resin-infiltration is typically used for transmission electron microscopy. Critical point drying may cause cracks at the cellular surface and a sponge-like morphology of nondistinguishable intracellular compartments. Resin-infiltrated biological samples result in a solid block of resin, which can be further processed by mechanical sectioning, however that does not allow a top view examination of small cell-cell and cell-surface contacts. Here, we propose a method for removing resin excess on biological samples before effective polymerization. In this way the cells result to be embedded in an ultra-thin layer of epoxy resin. This novel method highlights in contrast to standard methods the imaging of individual cells not only on nanostructured planar surfaces but also on topologically challenging substrates with high aspect ratio three-dimensional features by scanning electron microscopy. © 2016 The Authors Journal of Microscopy © 2016 Royal Microscopical Society.

Concept Study For A Near-term Mars Surface Sample Return Mission

NASA Astrophysics Data System (ADS)

Smith, M. F.; Thatcher, J.; Sallaberger, C.; Reedman, T.; Pillinger, C. T.; Sims, M. R.

The return of samples from the surface of Mars is a challenging problem. Present mission planning is for complex missions to return large, focused samples sometime in the next decade. There is, however, much scientific merit in returning a small sample of Martian regolith before the end of this decade at a fraction of the cost of the more ambitious missions. This paper sets out the key elements of this concept that builds on the work of the Beagle 2 project and space robotics work in Canada. The paper will expand the science case for returning a regolith sample that is only in the range of 50-250g but would nevertheless include plenty of interesting mate- rial as the regolith comprises soil grains from a wide variety of locations i.e. nearby rocks, sedimentary formations and materials moved by fluids, winds and impacts. It is possible that a fine core sample could also be extracted and returned. The mission concept is to send a lander sized at around 130kg on the 2007 or 2009 opportunity, immediately collect the sample from the surface, launch it to Mars orbit, collect it by the lander parent craft and make an immediate Earth return. Return to Earth orbit is envisaged rather than direct Earth re-entry. The lander concept is essen- tially a twice-size Beagle 2 carrying the sample collection and return capsule loading equipment plus the ascent vehicle. The return capsule is envisaged as no more than 1kg. An overall description of the mission along with methods for sample acquisition, or- bital rendezvous and capsule return will be outlined and the overall systems budgets presented. To demonstrate the near term feasibility of the mission, the use of existing Canadian and European technologies will be highlighted.

Multimodal Nonlinear Optical Imaging for Sensitive Detection of Multiple Pharmaceutical Solid-State Forms and Surface Transformations.

PubMed

Novakovic, Dunja; Saarinen, Jukka; Rojalin, Tatu; Antikainen, Osmo; Fraser-Miller, Sara J; Laaksonen, Timo; Peltonen, Leena; Isomäki, Antti; Strachan, Clare J

2017-11-07

Two nonlinear imaging modalities, coherent anti-Stokes Raman scattering (CARS) and sum-frequency generation (SFG), were successfully combined for sensitive multimodal imaging of multiple solid-state forms and their changes on drug tablet surfaces. Two imaging approaches were used and compared: (i) hyperspectral CARS combined with principal component analysis (PCA) and SFG imaging and (ii) simultaneous narrowband CARS and SFG imaging. Three different solid-state forms of indomethacin-the crystalline gamma and alpha forms, as well as the amorphous form-were clearly distinguished using both approaches. Simultaneous narrowband CARS and SFG imaging was faster, but hyperspectral CARS and SFG imaging has the potential to be applied to a wider variety of more complex samples. These methodologies were further used to follow crystallization of indomethacin on tablet surfaces under two storage conditions: 30 °C/23% RH and 30 °C/75% RH. Imaging with (sub)micron resolution showed that the approach allowed detection of very early stage surface crystallization. The surfaces progressively crystallized to predominantly (but not exclusively) the gamma form at lower humidity and the alpha form at higher humidity. Overall, this study suggests that multimodal nonlinear imaging is a highly sensitive, solid-state (and chemically) specific, rapid, and versatile imaging technique for understanding and hence controlling (surface) solid-state forms and their complex changes in pharmaceuticals.

Development of gypsum alteration on marble and limestone

USGS Publications Warehouse

McGee, E.S.

1996-01-01

Blackened alteration crusts of gypsum plus particulates that form on sheltered areas on marble and limestone buildings pose a challenge for rehabilitation and cleaning. Fresh marble and limestone samples exposed at monitored exposure sites present conditions of simple geometry and well-documented exposures but have short exposure histories (one to five years). The gypsum alteration crusts that develop on these samples provide insight into the early stages and rate of alteration crust formation. Alteration crusts from buildings give a longer, but less well known exposure history and present much more complex surfaces for gypsum accumulation. Integrated observations and measurements of alteration crusts from exposure samples and from buildings identify four factors that are important in the formation and development of alteration crusts on marble and limestone: (1) pollution levels, (2) exposure to rain or washing, (3) geometry of exposure of the stone surface, and (4) permeability of the stone. The combination of these factors contributes to both the distribution and the physical characteristics of the gypsum crusts which may affect cleaning decisions.

Biofunctionalization of silica-coated magnetic particles mediated by a peptide

NASA Astrophysics Data System (ADS)

Care, Andrew; Chi, Fei; Bergquist, Peter L.; Sunna, Anwar

2014-08-01

A linker peptide sequence with affinity to silica-containing materials was fused to Streptococcus protein G', an antibody-binding protein. This recombinant fusion protein, linker-protein G (LPG) was produced in E. coli and exhibited strong affinity to silica-coated magnetic particles and was able to bind to them at different pHs, indicating a true pH-independent binding. LPG was used as an anchorage point for the oriented immobilization of antibodies onto the surface of the particles. These particle-bound "LPG-Antibody complexes" mediated the binding and recovery of different cell types (e.g., human stem cells, Legionella, Cryptosporidium and Giardia), enabling their rapid and simple visualization and identification. This strategy was used also for the efficient capture of Cryptosporidium oocysts from water samples. These results demonstrate that LPG can mediate the direct biofunctionalization of silica-coated magnetic particles without the need for complex surface chemical modification.

Defining Long-Duration Traverses of Lunar Volcanic Complexes with LROC NAC Images

NASA Technical Reports Server (NTRS)

Stopar, J. D.; Lawrence, S. J.; Joliff, B. L.; Speyerer, E. J.; Robinson, M. S.

2016-01-01

A long-duration lunar rover [e.g., 1] would be ideal for investigating large volcanic complexes like the Marius Hills (MH) (approximately 300 x 330 km), where widely spaced sampling points are needed to explore the full geologic and compositional variability of the region. Over these distances, a rover would encounter varied surface morphologies (ranging from impact craters to rugged lava shields), each of which need to be considered during the rover design phase. Previous rovers including Apollo, Lunokhod, and most recently Yutu, successfully employed pre-mission orbital data for planning (at scales significantly coarser than that of the surface assets). LROC was specifically designed to provide mission-planning observations at scales useful for accurate rover traverse planning (crewed and robotic) [2]. After-the-fact analyses of the planning data can help improve predictions of future rover performance [e.g., 3-5].

Role of annealing on the structural and optical properties of nanostructured diaceto bis-benzimidazole Mn(II) complex thin films.

PubMed

Praveen, P A; Babu, R Ramesh; Ramamurthi, K

2017-02-15

A coordination complex, manganese incorporated benzimidazole, thin films were prepared by chemical bath deposition method. Structural characterization of the deposited films, carried out by Fourier transform infrared spectroscopy, Raman and electron paramagnetic resonance spectral analyses, reveals the distorted tetrahedral environment of the metal ion with bis-benzimidazole ligand. Further the molecular composition of the deposited metal complex was estimated by energy-dispersive X-ray spectroscopy. The prepared thin films were thermally treated to study the effect of annealing temperature on the surface morphology and the results showed that the surface homogeneity of the films increased for thermally treated films up to 150°C. But distortion and voids were observed for the films annealed at 200°C. The Raman analysis reveals the molecular hydrogen bond distortion which leads to the evaporation of the metal complex from the thin film surface with respect to annealing temperature. The linear and nonlinear optical properties of the as prepared and annealed films were studied using ultraviolet-visible transmittance spectroscopy, second harmonic generation and Z-scan analyses. Films annealed at 150°C show a better linear transmittance in the visible region and larger SHG efficiency and third order nonlinear susceptibility when compared with the other samples. Further, the film annealed at 150°C was subjected to optical switching analysis and demonstrated to have an inverted switching behavior. Copyright © 2016 Elsevier B.V. All rights reserved.

TEM observations of radiation damage in tungsten irradiated by 20 MeV W ions

NASA Astrophysics Data System (ADS)

Ciupiński, Ł.; Ogorodnikova, O. V.; Płociński, T.; Andrzejczuk, M.; Rasiński, M.; Mayer, M.; Kurzydłowski, K. J.

2013-12-01

Polycrystalline, recrystallized W targets were subjected to implantation with 20 MeV W6+ ions in order to simulate radiation damage caused by fusion neutrons. Three samples with cumulative damage of 0.01, 0.1 and 0.89 dpa were produced. The near-surface zone of each sample has been analyzed by transmission electron microscopy (TEM). To this end, lamellae oriented perpendicularly to the targets implanted surface were milled out using focused ion beam (FIB). A reference lamella from non-irradiated, recrystallized W target was also prepared to estimate the damage introduced during FIB processing. TEM studies revealed a complex microstructure of the damaged zones as well as its evolution with cumulative damage level. The experimentally observed damage depth agrees very well with the one calculated using the Stopping and Range of Ions in Matter (SRIM) software.

Rapid Screening of Carboxylic Acids from Waste and Surface Waters by ESI-MS/MS Using Barium Ion Chemistry and On-Line Membrane Sampling.

PubMed

Duncan, Kyle D; Volmer, Dietrich A; Gill, Chris G; Krogh, Erik T

2016-03-01

Negative ion tandem mass spectrometric analysis of aliphatic carboxylic acids often yields only non-diagnostic ([M - H](-)) ions with limited selective fragmentation. However, carboxylates cationized with Ba(2+) have demonstrated efficient dissociation in positive ion mode, providing structurally diagnostic product ions. We report the application of barium adducts followed by collision induced dissociation (CID), to improve selectivity for rapid screening of carboxylic acids in complex aqueous samples. The quantitative MS/MS method presented utilizes common product ions of [M - H + Ba](+) precursor ions. The mechanism of product ion formation is investigated using isotopically labeled standards and a series of structurally related carboxylic acids. The results suggest that hydrogen atoms in the β and γ positions yield common product ions ([BaH](+) and [BaOH](+)). Furthermore, the diagnostic product ion at m/z 196 serves as a qualifying ion for carboxylate species. This methodology has been successfully used in conjunction with condensed phase membrane introduction mass spectrometry (CP-MIMS), with barium acetate added directly to the methanol acceptor phase. The combination enables rapid screening of carboxylic acids directly from acidified water samples (wastewater effluent, spiked natural waters) using a capillary hollow fiber PDMS membrane immersion probe. We have applied this technique for the direct analysis of complex naphthenic acid mixtures spiked into natural surface waters using CP-MIMS. Selectivity at the ionization and tandem mass spectrometry level eliminate isobaric interferences from hydroxylated species present within the samples, which have been observed in negative electrospray ionization.

Rinsing paired-agent model (RPAM) to quantify cell-surface receptor concentrations in topical staining applications of thick tissues

NASA Astrophysics Data System (ADS)

Xu, Xiaochun; Wang, Yu; Xiang, Jialing; Liu, Jonathan T. C.; Tichauer, Kenneth M.

2017-06-01

Conventional molecular assessment of tissue through histology, if adapted to fresh thicker samples, has the potential to enhance cancer detection in surgical margins and monitoring of 3D cell culture molecular environments. However, in thicker samples, substantial background staining is common despite repeated rinsing, which can significantly reduce image contrast. Recently, ‘paired-agent’ methods—which employ co-administration of a control (untargeted) imaging agent—have been applied to thick-sample staining applications to account for background staining. To date, these methods have included (1) a simple ratiometric method that is relatively insensitive to noise in the data but has accuracy that is dependent on the staining protocol and the characteristics of the sample; and (2) a complex paired-agent kinetic modeling method that is more accurate but is more noise-sensitive and requires a precise serial rinsing protocol. Here, a new simplified mathematical model—the rinsing paired-agent model (RPAM)—is derived and tested that offers a good balance between the previous models, is adaptable to arbitrary rinsing-imaging protocols, and does not require calibration of the imaging system. RPAM is evaluated against previous models and is validated by comparison to estimated concentrations of targeted biomarkers on the surface of 3D cell culture and tumor xenograft models. This work supports the use of RPAM as a preferable model to quantitatively analyze targeted biomarker concentrations in topically stained thick tissues, as it was found to match the accuracy of the complex paired-agent kinetic model while retaining the low noise-sensitivity characteristics of the ratiometric method.

CentNet—A deployable 100-station network for surface exchange research

NASA Astrophysics Data System (ADS)

Oncley, S.; Horst, T. W.; Semmer, S.; Militzer, J.; Maclean, G.; Knudson, K.

2014-12-01

Climate, air quality, atmospheric composition, surface hydrology, and ecological processes are directly affected by the Earth's surface. Complexity of this surface exists at multiple spatial scales, which complicates the understanding of these processes. NCAR/EOL currently provides a facility to the research community to make direct eddy-covariance flux observations to quantify surface-atmosphere interactions. However, just as model resolution has continued to increase, there is a need to increase the spatial density of flux measurements to capture the wide variety of scales that contribute to exchange processes close to the surface. NCAR/EOL now has developed the CentNet facility, that is envisioned to have on the order of 100 surface flux stations deployable for periods of months to years. Each station would measure standard meteorological variables, all components of the surface energy balance (including turbulence fluxes and radiation), atmospheric composition, and other quantities to characterize the surface. Thus, CentNet can support observational research in the biogeosciences, hydrology, urban meteorology, basic meteorology, and turbulence. CentNet has been designed to be adaptable to a wide variety of research problems while keeping operations manageable. Tower infrastructure has been designed to be lightweight, easily deployed, and with a minimal set-up footprint. CentNet uses sensor networks to increase spatial sampling at each station. The data system saves every sample on site to retain flexibility in data analysis. We welcome guidance on development and funding priorities as we build CentNet.

Tribological properties of multifunctional coatings with Shape Memory Effect in abrasive wear

NASA Astrophysics Data System (ADS)

Blednova, Zh. M.; Dmitrenko, D. V.; Balaev, E. U. O.

2018-01-01

The article gives research results of the abrasive wear process on samples made of Steel 1045, U10 and with applied composite surface layer "Nickel-Multicomponent material with Shape Memory Effect (SME) based on TiNi". For the tests we have chosen TiNiZr, which is in the martensite state and TiNiHfCu, which is in the austenitic state at the test temperature. The formation of the surface layer was carried out by high-speed oxygen-fuel deposition in a protective atmosphere of argon. In the wear test, Al2O3 corundum powder was used as an abrasive. It is shown that the wear rate of samples with a composite surface layer of multicomponent materials with SME is significantly reduced in comparison with the base, which is explained by reversible phase transformations of the surface layer with SME. After carrying out the additional surface plastic deformation (SPD), the resistance of the laminated composition to abrasion wear has greatly enhanced, due to the reinforcing effect of the SPD. It is recommended for products working in conditions of abrasive wear and high temperatures to use the complex formation technology of the surface composition "steel-nickel-material with high-temperature SME", including preparation of the substrate surface and the deposited material, high-speed spraying in the protective atmosphere of argon, followed by SPD.

Fabrication of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using electrolysis plasma treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Jianbing, E-mail: jianbingmeng@126.com; Dong, Xiaojuan; Wei, Xiuting

An anti-adhesion surface with a water contact angle of 167° was fabricated on aluminium samples of rubber plastic moulds by electrolysis plasma treatment using mixed electrolytes of C{sub 6}H{sub 5}O{sub 7}(NH{sub 4}){sub 3} and Na{sub 2}SO{sub 4}, followed by fluorination. To optimise the fabrication conditions, several important processing parameters such as the discharge voltage, discharge time, concentrations of supporting electrolyte and stearic acid ethanol solution were examined systematically. Using scanning electron microscopy (SEM) to analyse surfaces morphology, micrometer scale pits, and protrusions were found on the surface, with numerous nanometer mastoids contained in the protrusions. These binary micro/nano-scale structures, whichmore » are similar to the micro-structures of soil-burrowing animals, play a critical role in achieving low adhesion properties. Otherwise, the anti-adhesion behaviours of the resulting samples were analysed by the atomic force microscope (AFM), Fourier-transform infrared spectrophotometer (FTIR), electrons probe micro-analyzer (EPMA), optical contact angle meter, digital Vickers microhardness (Hv) tester, and electronic universal testing. The results show that the electrolysis plasma treatment does not require complex processing parameters, using a simple device, and is an environment-friendly and effective method. Under the optimised conditions, the contact angle (CA) for the modified anti-adhesion surface is up to 167°, the sliding angle (SA) is less than 2°, roughness of the sample surface is only 0.409μm. Moreover, the adhesion force and H{sub v} are 0. 9KN and 385, respectively.« less

Dragonfly: In Situ Exploration of Titan's Organic Chemistry and Habitability

NASA Astrophysics Data System (ADS)

Turtle, E. P.; Barnes, J. W.; Trainer, M. G.; Lorenz, R. D.

2017-12-01

Titan's abundant complex carbon-rich chemistry, interior ocean, and past presence of liquid water on the surface make it an ideal destination to study prebiotic chemical processes and document the habitability of an extraterrestrial environment. Titan exploration is a high science priority due to the level of organic synthesis that it supports. Moreover, opportunities for organics to have interacted with liquid water at the surface (e.g., in impact melt sheets) increase the potential for chemical processes to progress further, providing an unparalleled opportunity to investigate prebiotic chemistry, as well as to search for signatures of potential water-based or even hydrocarbon-based life. The diversity of Titan's surface materials and environments drives the scientific need to be able to sample a variety of locations, thus mobility is key for in situ measurements. Titan's atmosphere is 4 times denser than Earth's reducing the wing/rotor area required to generate a given amount of lift, and the low gravity reduces the required magnitude of lift, making heavier-than-air mobility highly efficient. Dragonfly is a rotorcraft lander mission proposed to NASA's New Frontiers Program to take advantage of Titan's unique natural laboratory to understand how far chemistry can progress in environments that provide key ingredients for life. Measuring the compositions of materials in different environments will reveal how far organic chemistry has progressed. Surface material can be sampled into a mass spectrometer to identify the chemical components available and processes at work to produce biologically relevant compounds. Bulk elemental surface composition can be determined by a neutron-activated gamma-ray spectrometer. Meteorology measurements can characterize Titan's atmosphere and diurnal and spatial variations therein. Geologic features can be characterized via remote-sensing observations, which also provide context for samples. Seismic sensing can probe subsurface structure and activity. In addition to surface investigations, Dragonfly can perform measurements during flight, including atmospheric profiles and aerial observations of surface geology, which also provide sampling context and scouting for landing sites.

Rice- and butterfly-wing effect inspired self-cleaning and low drag micro/nanopatterned surfaces in water, oil, and air flow.

PubMed

Bixler, Gregory D; Bhushan, Bharat

2014-01-07

In search of new solutions to complex challenges, researchers are turning to living nature for inspiration. For example, special surface characteristics of rice leaves and butterfly wings combine the shark skin (anisotropic flow leading to low drag) and lotus leaf (superhydrophobic and self-cleaning) effects, producing the so-called rice and butterfly wing effect. In this paper, we study four microstructured surfaces inspired by rice leaves and fabricated with photolithography techniques. We also present a method of creating such surfaces using a hot embossing procedure for scaled-up manufacturing. Fluid drag, self-cleaning, contact angle, and contact angle hysteresis data are presented to understand the role of sample geometrical dimensions. Conceptual modeling provides design guidance when developing novel low drag, self-cleaning, and potentially antifouling surfaces for medical, marine, and industrial applications.

Rice- and butterfly-wing effect inspired self-cleaning and low drag micro/nanopatterned surfaces in water, oil, and air flow

NASA Astrophysics Data System (ADS)

Bixler, Gregory D.; Bhushan, Bharat

2013-12-01

In search of new solutions to complex challenges, researchers are turning to living nature for inspiration. For example, special surface characteristics of rice leaves and butterfly wings combine the shark skin (anisotropic flow leading to low drag) and lotus leaf (superhydrophobic and self-cleaning) effects, producing the so-called rice and butterfly wing effect. In this paper, we study four microstructured surfaces inspired by rice leaves and fabricated with photolithography techniques. We also present a method of creating such surfaces using a hot embossing procedure for scaled-up manufacturing. Fluid drag, self-cleaning, contact angle, and contact angle hysteresis data are presented to understand the role of sample geometrical dimensions. Conceptual modeling provides design guidance when developing novel low drag, self-cleaning, and potentially antifouling surfaces for medical, marine, and industrial applications.

Seasonal variation of nitrogen-concentration in the surface water and its relationship with land use in a catchment of northern China.

PubMed

Chen, Li-ding; Peng, Hong-jia; Fu, Bo-Jie; Qiu, Jun; Zhang, Shu-rong

2005-01-01

Surface waters can be contaminated by human activities in two ways: (1) by point sources, such as sewage treatment discharge and storm-water runoff; and (2) by non-point sources, such as runoff from urban and agricultural areas. With point-source pollution effectively controlled, non-point source pollution has become the most important environmental concern in the world. The formation of non-point source pollution is related to both the sources such as soil nutrient, the amount of fertilizer and pesticide applied, the amount of refuse, and the spatial complex combination of land uses within a heterogeneous landscape. Land-use change, dominated by human activities, has a significant impact on water resources and quality. In this study, fifteen surface water monitoring points in the Yuqiao Reservoir Basin, Zunhua, Hebei Province, northern China, were chosen to study the seasonal variation of nitrogen concentration in the surface water. Water samples were collected in low-flow period (June), high-flow period (July) and mean-flow period (October) from 1999 to 2000. The results indicated that the seasonal variation of nitrogen concentration in the surface water among the fifteen monitoring points in the rainfall-rich year is more complex than that in the rainfall-deficit year. It was found that the land use, the characteristics of the surface river system, rainfall, and human activities play an important role in the seasonal variation of N-concentration in surface water.

Optimally resolving Lambertian surface orientation

NASA Astrophysics Data System (ADS)

Bertsatos, Ioannis; Makris, Nicholas C.

2003-10-01

Sonar images of remote surfaces are typically corrupted by signal-dependent noise known as speckle. Relative motion between source, surface, and receiver causes the received field to fluctuate over time with circular complex Gaussian random (CCGR) statistics. In many cases of practical importance, Lambert's law is appropriate to model radiant intensity from the surface. In a previous paper, maximum likelihood estimators (MLE) for Lambertian surface orientation have been derived based on CCGR measurements [N. C. Makris, SACLANT Conference Proceedings Series CP-45, 1997, pp. 339-346]. A Lambertian surface needs to be observed from more than one illumination direction for its orientation to be properly constrained. It is found, however, that MLE performance varies significantly with illumination direction due to the inherently nonlinear nature of this problem. It is shown that a large number of samples is often required to optimally resolve surface orientation using the optimality criteria of the MLE derived in Naftali and Makris [J. Acoust. Soc. Am. 110, 1917-1930 (2001)].

Combining 3D human in vitro methods for a 3Rs evaluation of novel titanium surfaces in orthopaedic applications.

PubMed

Stevenson, G; Rehman, S; Draper, E; Hernández-Nava, E; Hunt, J; Haycock, J W

2016-07-01

In this study, we report on a group of complementary human osteoblast in vitro test methods for the preclinical evaluation of 3D porous titanium surfaces. The surfaces were prepared by additive manufacturing (electron beam melting [EBM]) and plasma spraying, allowing the creation of complex lattice surface geometries. Physical properties of the surfaces were characterized by SEM and profilometry and 3D in vitro cell culture using human osteoblasts. Primary human osteoblast cells were found to elicit greater differences between titanium sample surfaces than an MG63 osteoblast-like cell line, particularly in terms of cell survival. Surface morphology was associated with higher osteoblast metabolic activity and mineralization on rougher titanium plasma spray coated surfaces than smoother surfaces. Differences in osteoblast survival and metabolic activity on titanium lattice structures were also found, despite analogous surface morphology at the cellular level. 3D confocal microscopy identified osteoblast organization within complex titanium surface geometries, adhesion, spreading, and alignment to the biomaterial strut geometries. Mineralized nodule formation throughout the lattice structures was also observed, and indicative of early markers of bone in-growth on such materials. Testing methods such as those presented are not traditionally considered by medical device manufacturers, but we suggest have value as an increasingly vital tool in efficiently translating pre-clinical studies, especially in balance with current regulatory practice, commercial demands, the 3Rs, and the relative merits of in vitro and in vivo studies. Biotechnol. Bioeng. 2016;113: 1586-1599. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc. © 2015 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc.

Long-term studies on the effects of nonvolatile organic compounds on porous media surface areas.

PubMed

Khachikian, Crist S; Harmon, Thomas C

2002-01-01

This paper investigates the long-term behavior of porous media contaminated by nonvolatile organic compounds (NVOC) in terms of specific interfacial surface area. Specifically, a natural sand, Moffett sand (MS), was contaminated with naphthalene and the surface area was measured repeatedly over time using nitrogen adsorption-desorption techniques. A field-contaminated sand affected by lamp-black material (LB) from former manufactured gas plant operations was also studied. Lampblack is a carbonaceous skeleton containing polycyclic aromatic hydrocarbons (PAHs) and other hydrocarbons. It is hypothesized that soils contaminated by these types of chemicals will exhibit significantly less surface area than their clean counterparts. The surface areas for the contaminated MS samples increased toward their clean-MS values during the 700-h aging period, but achieved the clean values only after pentane extraction or heating at 60 degrees C. Heating at 50 degrees C failed to achieve a similar recovery of the clean-MS surface area value. Nonspecific mass loss tracked the increase in surface area as indirect evidence that naphthalene loss was the cause of the surface area increase. For the LB samples, aging at 100 degrees C produced a slight decrease in surface area and mass while aging at 250 degrees C caused the surface area to increase roughly threefold while the mass decreased by approximately 1%. These results suggest that, under moderate heating and over the time scale of this investigation, there is a redistribution of the complex contaminant mixture on the solid matrix. Greater temperatures remove mass more efficiently and therefore exhibited the surface area increase expected in this experiment.

Surface complexation model of uranyl sorption on Georgia kaolinite

USGS Publications Warehouse

Payne, T.E.; Davis, J.A.; Lumpkin, G.R.; Chisari, R.; Waite, T.D.

2004-01-01

The adsorption of uranyl on standard Georgia kaolinites (KGa-1 and KGa-1B) was studied as a function of pH (3-10), total U (1 and 10 ??mol/l), and mass loading of clay (4 and 40 g/l). The uptake of uranyl in air-equilibrated systems increased with pH and reached a maximum in the near-neutral pH range. At higher pH values, the sorption decreased due to the presence of aqueous uranyl carbonate complexes. One kaolinite sample was examined after the uranyl uptake experiments by transmission electron microscopy (TEM), using energy dispersive X-ray spectroscopy (EDS) to determine the U content. It was found that uranium was preferentially adsorbed by Ti-rich impurity phases (predominantly anatase), which are present in the kaolinite samples. Uranyl sorption on the Georgia kaolinites was simulated with U sorption reactions on both titanol and aluminol sites, using a simple non-electrostatic surface complexation model (SCM). The relative amounts of U-binding >TiOH and >AlOH sites were estimated from the TEM/EDS results. A ternary uranyl carbonate complex on the titanol site improved the fit to the experimental data in the higher pH range. The final model contained only three optimised log K values, and was able to simulate adsorption data across a wide range of experimental conditions. The >TiOH (anatase) sites appear to play an important role in retaining U at low uranyl concentrations. As kaolinite often contains trace TiO2, its presence may need to be taken into account when modelling the results of sorption experiments with radionuclides or trace metals on kaolinite. ?? 2004 Elsevier B.V. All rights reserved.

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling.

PubMed

Zhang, Xiao-Jie; Shang, Cheng; Liu, Zhi-Pan

2017-02-08

The crystal to amorphous transformation is a common phenomenon in Nature and has important impacts on material properties. Our current knowledge on such complex solid transformation processes is, however, limited because of their slow kinetics and the lack of long-range ordering in amorphous structures. To reveal the kinetics in the amorphization of solids, this work, by developing iterative reaction sampling based on the stochastic surface walking global optimization method, investigates the well-known crystal to amorphous transformation of silica (SiO 2 ) under external pressures, the mechanism of which has long been debated for its non-equilibrium, pressure-sensitive kinetics and complex product components. Here we report for the first time the global potential energy surface (PES) and the lowest energy pathways for α-quartz amorphization from first principles. We show that the pressurization at 15 GPa, the reaction condition, can lift the quartz phase energetically close to the amorphous zone, which thermodynamically initializes the amorphization. More importantly, the large flexibility of Si cation coordination (including four, five and six coordination) results in many kinetically competing routes to more stable dense forms, including the known MI, stishovite, newly-identified MII and TI phases. All these pathways have high barriers due to the local Si-O bond breaking and are mediated by amorphous structures with five-fold Si. This causes simultaneous crystal-to-crystal and crystal-to-amorphous transitions. The high barrier and the reconstructive nature of the phase transition are the key kinetics origin for silica amorphization under pressures.

Constraining Landscape History and Glacial Erosivity Using Paired Cosmogenic Nuclides in Upernavik, Northwest Greenland

NASA Technical Reports Server (NTRS)

Corbett, Lee B.; Bierman, Paul R.; Graly, Joseph A.; Neumann, Thomas A.; Rood, Dylan H.

2013-01-01

High-latitude landscape evolution processes have the potential to preserve old, relict surfaces through burial by cold-based, nonerosive glacial ice. To investigate landscape history and age in the high Arctic, we analyzed in situ cosmogenic Be(sup 10) and Al (sup 26) in 33 rocks from Upernavik, northwest Greenland. We sampled adjacent bedrock-boulder pairs along a 100 km transect at elevations up to 1000 m above sea level. Bedrock samples gave significantly older apparent exposure ages than corresponding boulder samples, and minimum limiting ages increased with elevation. Two-isotope calculations Al(sup26)/B(sup 10) on 20 of the 33 samples yielded minimum limiting exposure durations up to 112 k.y., minimum limiting burial durations up to 900 k.y., and minimum limiting total histories up to 990 k.y. The prevalence of BE(sup 10) and Al(sup 26) inherited from previous periods of exposure, especially in bedrock samples at high elevation, indicates that these areas record long and complex surface exposure histories, including significant periods of burial with little subglacial erosion. The long total histories suggest that these high elevation surfaces were largely preserved beneath cold-based, nonerosive ice or snowfields for at least the latter half of the Quaternary. Because of high concentrations of inherited nuclides, only the six youngest boulder samples appear to record the timing of ice retreat. These six samples suggest deglaciation of the Upernavik coast at 11.3 +/- 0.5 ka (average +/- 1 standard deviation). There is no difference in deglaciation age along the 100 km sample transect, indicating that the ice-marginal position retreated rapidly at rates of approx.120 m yr(sup-1).

The case for planetary sample return missions. 2. History of Mars.

PubMed

Gooding, J L; Carr, M H; McKay, C P

1989-08-01

Principal science goals for exploration of Mars are to establish the chemical, isotopic, and physical state of Martian material, the nature of major surface-forming processes and their time scales, and the past and present biological potential of the planet. Many of those goals can only be met by detailed analyses of atmospheric gases and carefully selected samples of fresh rocks, weathered rocks, soils, sediments, and ices. The high-fidelity mineral separations, complex chemical treatments, and ultrasensitive instrument systems required for key measurements, as well as the need to adapt analytical strategies to unanticipated results, point to Earth-based laboratory analyses on returned Martian samples as the best means for meeting the stated objectives.

Does the Hertz solution estimate pressures correctly in diamond indentor experiments?

NASA Astrophysics Data System (ADS)

Bruno, M. S.; Dunn, K. J.

1986-05-01

The Hertz solution has been widely used to estimate pressures in a spherical indentor against flat matrix type high pressure experiments. It is usually assumed that the pressure generated when compressing a sample between the indentor and substrate is the same as that generated when compressing an indentor against a flat surface with no sample present. A non-linear finite element analysis of this problem has shown that the situation is far more complex. The actual peak pressure in the sample is highly dependent on plastic deformation and the change in material properties due to hydrostatic pressure. An analysis with two material models is presented and compared with the Hertz solution.

Effects-based spatial assessment of contaminated estuarine sediments from Bear Creek, Baltimore Harbor, MD, USA.

PubMed

Hartzell, Sharon E; Unger, Michael A; McGee, Beth L; Wilson, Sacoby M; Yonkos, Lance T

2017-10-01

Estuarine sediments in regions with prolonged histories of industrial activity are often laden to significant depths with complex contaminant mixtures, including trace metals and persistent organic pollutants. Given the complexity of assessing risks from multi-contaminant exposures, the direct measurement of impacts to biological receptors is central to characterizing contaminated sediment sites. Though biological consequences are less commonly assessed at depth, laboratory-based toxicity testing of subsurface sediments can be used to delineate the scope of contamination at impacted sites. The extent and depth of sediment toxicity in Bear Creek, near Baltimore, Maryland, USA, was delineated using 10-day acute toxicity tests with the estuarine amphipod Leptocheirus plumulosus, and chemical analysis of trace metals and persistent organic pollutants. A gradient of toxicity was demonstrated in surface sediments with 21 of 22 tested sites differing significantly from controls. Effects were most pronounced (100% lethality) at sites proximate to a historic industrial complex. Sediments from eight of nine core samples to depths of 80 cm were particularly impacted (i.e., caused significant lethality to L. plumulosus) even in locations overlain with relatively non-toxic surface sediments, supporting a conclusion that toxicity observed at the surface (top 2 cm) does not adequately predict toxicity at depth. In seven of nine sites, toxicity of surface sediments differed from toxicity at levels beneath by 28 to 69%, in five instances underestimating toxicity (28 to 69%), and in two instances overestimating toxicity (44 to 56%). Multiple contaminants exceeded sediment quality guidelines and correlated positively with toxic responses within surface sediments (e.g., chromium, nickel, polycyclic aromatic hydrocarbon (PAH), total petroleum hydrocarbon). Use of an antibody-based PAH biosensor revealed that porewater PAH concentrations also increased with depth at most sites. This study informs future management decisions concerning the extent of impact to Bear Creek sediments, and demonstrates the benefits of a spatial approach, relying primarily on toxicity testing to assess sediment quality in a system with complex contaminant mixtures.

Phototrophic microorganisms in biofilm samples from Vernjika Cave, Serbia

NASA Astrophysics Data System (ADS)

Popović, Slađana; Jovanović, Jelena; Predojević, Dragana; Trbojević, Ivana; Blagojević, Ana; Subakov Simić, Gordana

2016-04-01

Caves represent specific natural monuments in terms of structure, complexity and beauty which can be found worldwide. Even though they are considered extreme environments, they are still a unique habitat for a large number of organisms that grow and proliferate here. Often can be seen that the cave walls are differently coloured as a consequence of the biofilm development. Biofilms represent complex communities of microorganisms that can develop on different kind of surfaces, including various rock surfaces. Each microbe species play a different role in a community, but their development on stone surfaces can cause substantial damage to the substrates through different mechanisms of biodeterioration and degradation. There is an increased interest in the phototrophic component of biofilms (aerophytic cyanobacteria and algae), especially cyanobacteria, an ancient microorganisms capable to survive the most diverse extreme conditions. These phototrophs can easily be found at cave entrances illuminated by direct or indirect sunlight and areas near artificial lights. Cyanobacteria and algae were investigated in biofilm samples taken from the entrance of Vernjika Cave in Eastern Serbia. Cyanobacteria, Chlorophyta and Bacillariophyta were documented, with Cyanobacteria as a group with the highest number of recorded taxa. Chroococcalean species were the most diverse with the most frequently encountered species from the genus Gloeocapsa. Phormidium and Nostoc species were commonly recorded Oscillatoriales and Nostocles, respectively. Among Oscillatoriales species, it was noticed that one Phormidium species precipitates CaCO3 on it's sheats. Trebouxia sp. and Desmococcus olivaceus were frequently documented Chlorophyta, and representatives of Bacillariophyta were exclusively aerophytic taxa, mostly belonging to the genera Luticola and Humidophila. Measured ecological parameters, temperature and relative humidity, were influenced by the external climatic changes, while light intensity values showed significant differences among sampling sites, even though sampling sites were relatively close to each other. Chlorophyll a, water content and content of organic and inorganic matter were determined from each biofilm sample. Chlorophyll a content showed positive correlation with the content of the organic matter. Since cave microbiology is recognized as a growing interdisciplinary field, the exploration of phototrophic diversity is considered to be a contribution to this issue and the basis for further research that will include more experimental studies.

Vancomycin incorporated chitosan/gelatin coatings coupled with TiO2-SrHAP surface modified cp-titanium for osteomyelitis treatment.

PubMed

D, Nancy; N, Rajendran

2018-04-15

Commercially pure Titanium (Cp-Ti) was electrophoretically modified using double layer coatings consisting of TiO 2 -SrHAP as the first layer (TH) followed by vancomycin incorporated Chitosan/Gelatin as the second layer (THV). The nano crystalline phase of coated Strontium incorporated hydroxyapatite (Sr-HAP) confirmed through X-ray diffraction studies (XRD). The polyelectrolyte complex formation between chitosan and gelatin, the stability of the drug, the bonding between chitosan and Sr-HAP were confirmed through infra-red spectroscopic studies (IR). The average roughness (R a ) value calculated from atomic force microscopy (AFM) corroborates with the water contact angle data, which clearly confirms the tuning property of the surface in relation to the surface energy and roughness of the coated samples. The total amount of vancomycin encapsulated was calculated to be 11.5 μg. Antibacterial activity was found against both Staphylococcus aureus strains methicillin resistant Staphylococcus aureus (MRSA) and methicillin sensitive Staphylococcus aureus (MRSA) for a drug concentration of 2.74 μg released after 12 h of immersion. The in-vitro cell culture studies showed enhanced cellular activity for THV samples. Thus, THV samples have a dual action at the surface, by resisting the bacterial adhesion and enhancing cellular interaction at the bio-interface, making it a promising candidate to treat osteomyelitis infection. Copyright © 2018. Published by Elsevier B.V.

Estimating the Geoelectric Field Using Precomputed EMTFs: Effect of Magnetometer Cadence

NASA Astrophysics Data System (ADS)

Grawe, M.; Butala, M.; Makela, J. J.; Kamalabadi, F.

2017-12-01

Studies that make use of electromagnetic transfer functions (EMTFs) to calculate the surface electric field from a specified surface magnetic field often use historical magnetometer information for validation and comparison purposes. Depending on the data source, the magnetometer cadence is typically between 1 and 60 seconds. It is often implied that a 60 (and sometimes 10) second cadence is acceptable for purposes of geoelectric field calculation using a geophysical model. Here, we quantitatively assess this claim under different geological settings and using models of varying complexity (using uniform/1D/3D EMTFs) across several different space weather events. Conclusions are made about sampling rate sufficiency as a function of local geology and the spectral content of the surface magnetic field.

Effect of Phosphate on U(VI) Sorption to Montmorillonite: Ternary Complexation and Precipitation Barriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Troyer, Lyndsay D.; Maillot, Fabien; Wang, Zheming

Phosphate addition is a potential treatment method to lower the solubility of U(VI) in soil and groundwater systems by causing U(VI) phosphate precipitation as well as enhancing adsorption. Previous work has shown that iron oxide surfaces may facilitate the nucleation of U(VI) phosphate minerals and, that under weakly acidic conditions, phosphate also enhances U(VI) adsorption to such phases. Like iron oxides, clays are important reactive phases in the subsurface but little is known about the interaction of U(VI) and phosphate with these minerals. The effect of aqueous phosphate on U(VI) binding to Wyoming montmorillonite (SWy-2) in air-equilibrated systems was investigated.more » Equilibrium U(VI) uptake to montmorillonite was determined at pH 4, 6 and 8 at discrete initial phosphate concentrations between 0 and 100 μM. The observed behavior of U(VI) indicates a transition from adsorption to precipitation with increasing total uranium and phosphate concentrations at all pH values. At the highest phosphate concentration examined at each pH value, a barrier to U(VI) phosphate nucleation is observed. At lower concentrations, phosphate has no effect on macroscopic U(VI) adsorption. To assess the mechanisms of U(VI)-phosphate interactions on smectite surfaces, U(VI) speciation was investigated under selected conditions using laser-induced fluorescence spectroscopy (LIFS) and extended X-ray absorption fine-structure (EXAFS) spectroscopy. Samples above the precipitation threshold display EXAFS and LIFS spectral signatures consistent with the autunite family of U(VI) phosphate minerals. However, at lower U(VI) concentrations, changes in LIFS spectra upon phosphate addition suggest that U(VI)-phosphate ternary surface complexes form on the montmorillonite surface at pH 4 and 6 despite the lack of a macroscopic effect on adsorption. The speciation of solid-associated U(VI) below the precipitation threshold at pH 8 is dominated by U(VI)-carbonate surface complexes. This work reveals that ternary complexation may occur without a macroscopic signature, which is attributed to phosphate not appreciably binding to smectite in the absence of U(VI), with U(VI) surface complexes serving as the sole reactive surface sites for phosphate. This study shows that phosphate does not enhance U(VI) adsorption to smectite clay minerals, unlike oxide phases, and that a barrier to homogeneous nucleation of U(VI) phosphates was not affected by the presence of the smectite surface« less

Molecular Modeling and Physicochemical Properties of Supramolecular Complexes of Limonene with α- and β-Cyclodextrins.

PubMed

Dos Passos Menezes, Paula; Dos Santos, Polliana Barbosa Pereira; Dória, Grace Anne Azevedo; de Sousa, Bruna Maria Hipólito; Serafini, Mairim Russo; Nunes, Paula Santos; Quintans-Júnior, Lucindo José; de Matos, Iara Lisboa; Alves, Péricles Barreto; Bezerra, Daniel Pereira; Mendonça Júnior, Francisco Jaime Bezerra; da Silva, Gabriel Francisco; de Aquino, Thiago Mendonça; de Souza Bento, Edson; Scotti, Marcus Tullius; Scotti, Luciana; de Souza Araujo, Adriano Antunes

2017-02-01

This study evaluated three different methods for the formation of an inclusion complex between alpha- and beta-cyclodextrin (α- and β-CD) and limonene (LIM) with the goal of improving the physicochemical properties of limonene. The study samples were prepared through physical mixing (PM), paste complexation (PC), and slurry complexation (SC) methods in the molar ratio of 1:1 (cyclodextrin:limonene). The complexes prepared were evaluated with thermogravimetry/derivate thermogravimetry, infrared spectroscopy, X-ray diffraction, complexation efficiency through gas chromatography/mass spectrometry analyses, molecular modeling, and nuclear magnetic resonance. The results showed that the physical mixing procedure did not produce complexation, but the paste and slurry methods produced inclusion complexes, which demonstrated interactions outside of the cavity of the CDs. However, the paste obtained with β-cyclodextrin did not demonstrate complexation in the gas chromatographic technique because, after extraction, most of the limonene was either surface-adsorbed by β-cyclodextrin or volatilized during the procedure. We conclude that paste complexation and slurry complexation are effective and economic methods to improve the physicochemical character of limonene and could have important applications in pharmacological activities in terms of an increase in solubility.

Bidirectional reflectance and VIS-NIR spectroscopy of cometary analogues under simulated space conditions

NASA Astrophysics Data System (ADS)

Jost, Bernhard; Pommerol, Antoine; Poch, Olivier; Yoldi, Zuriñe; Fornasier, Sonia; Hasselmann, Pedro Henrique; Feller, Clément; Carrasco, Nathalie; Szopa, Cyril; Thomas, Nicolas

2017-10-01

This work is intended to be the second publication in a series of papers reporting on the spectro-photometric properties of cometary analogues measured in the laboratory. Herein, we provide in-situ hyperspectral imaging data in the 0.40-2.35 μm range from three sublimation experiments under simulated space conditions in thermal vacuum from samples made of water ice, carbonaceous compounds and complex organic molecules. The dataset is complemented by measurements of the bidirectional reflectance in the visible (750 nm) spectral range before and after sublimation. A qualitative characterization of surface evolution processes is provided as well as a description of morphological changes during the simulation experiment. The aim of these experiments is to mimic the spectrum of comet 67P/Churyumov-Gerasimenko (67P) as acquired by the Rosetta mission by applying sublimation experiments on the mixtures of water ice with a complex organic material (tholins) and carbonaceous compounds (carbon black; activated charcoal) studied in our companion publication (Jost et al., submitted). Sublimation experiments are needed to develop the particular texture (high porosity), expected on the nucleus' surface, which might have a strong influence on spectro-photometric properties. The spectrally best matching mixtures of non volatile organic molecules from Jost et al. (submitted) are mixed with fine grained water ice particles and evolved in a thermal vacuum chamber, in order to monitor the influence of the sublimation process on their spectro-photometric properties. We demonstrate that the way the water ice and the non-volatile constituents are mixed, plays a major role in the formation and evolution of a surface residue mantle as well as having influence on the consolidation processes of the underlying ice. Additionally it results in different activity patterns under simulated insolation cycles. Further we show that the phase curves of samples having a porous surface mantle layer display higher coincidence with data of 67P than the phase curves of the samples having a more compact surface layer with smooth texture. The analysis of spectral absorption bands of water ice in the near-infrared (NIR) range, similar to those acquired by the VIRTIS instrument onboard Rosetta, allows to link compositional considerations with surface activity and texture.

Transmission Electron Microscopy of Itokawa Regolith Grains

NASA Technical Reports Server (NTRS)

Keller, Lindsay P.; Berger, E. L.

2013-01-01

Introduction: In a remarkable engineering achievement, the JAXA space agency successfully recovered the Hayabusa space-craft in June 2010, following a non-optimal encounter and sur-face sampling mission to asteroid 25143 Itokawa. These are the first direct samples ever obtained and returned from the surface of an asteroid. The Hayabusa samples thus present a special op-portunity to directly investigate the evolution of asteroidal sur-faces, from the development of the regolith to the study of the effects of space weathering. Here we report on our preliminary TEM measurements on two Itokawa samples. Methods: We were allocated particles RA-QD02-0125 and RA-QD02-0211. Both particles were embedded in low viscosity epoxy and thin sections were prepared using ultramicrotomy. High resolution images and electron diffraction data were ob-tained using a JEOL 2500SE 200 kV field-emission scanning-transmission electron microscope. Quantitative maps and anal-yses were obtained using a Thermo thin-window energy-dispersive x-ray (EDX) spectrometer. Results: Both particles are olivine-rich (Fo70) with µm-sized inclusions of FeS and have microstructurally complex rims. Par-ticle RA-QD02-0125 is rounded and has numerous sub-µm grains attached to its surface including FeS, albite, olivine, and rare melt droplets. Solar flare tracks have not been observed, but the particle is surrounded by a continuous 50 nm thick, stuctur-ally disordered rim that is compositionally similar to the core of the grain. One of the surface adhering grains is pyrrhotite show-ing a S-depleted rim (8-10 nm thick) with nanophase Fe metal grains (<5 nm) decorating the outermost surface. The pyrrhotite displays a complex superstructure in its core that is absent in the S-depleted rim. Particle RA-QD02-0211 contains solar flare particle tracks (2x109 cm-2) and shows a structurally disordered rim 100 nm thick. The track density corresponds to a surface exposure of 103-104 years based on the track production rate of [1]. The dis-ordered rim is nanocrystalline with minor amorphous material between crystalline domains. Quantitative element maps show the outermost 10 nm of the disordered rim is Si-rich. Discussion and Conclusions: Both particles record the ef-fects of space weathering processes on Itokawa. Noguchi et al. [2] proposed that the disordered rims they observed on Itokawa particles largely result from solar wind radiation damage and we arrive at a similar conclusion for the two particles we analyzed. The microstructure of the S-depleted layer on the pyrrhotite grain in RA-QD02-0125 is similar to that observed in troilite irradiated with 1018 4 kV He+ [3, 4]. Prolonged irradiation has also been shown to disorder pyrrhotite such that the superstructure reflec-tions are lost [5].

Complex conductivity of organic-rich shales

NASA Astrophysics Data System (ADS)

Woodruff, W. F.; Revil, A.; Torres-Verdin, C.

2013-12-01

We can accurately determine the intrinsic anisotropy and material properties in the laboratory, providing empirical evidence of transverse isotropy and the polarization of the organic and metallic fractions in saturated and unsaturated shales. We develop two distinct approaches to obtain the complex conductivity tensor from spectral induced polarization (SIP) measurements. Experimental results indicate clear anisotropy, and characterize the effects of thermal maturation, TOC, and pyrite, aiding in the calibration and interpretation of geophysical data. SIP is a non-intrusive measurement, sensitive to the surface conductance of mineral grains, frequency-dependent polarization of the electrical double layer, and bulk conductivity of the pore water. The in-phase and quadrature components depend upon parameters of principal importance in unconventional shale formation evaluation (e.g., the distribution of pore throat sizes, formation factor, permeability, salinity and cation exchange capacity (CEC), fluid saturation and wettability). In addition to the contribution of the electrical double layer of non-conducting minerals to surface conductivity, we have observed a clear relaxation associated with kerogen pyrolysis, pyrite distribution, and evidence that the CEC of the kerogen fraction may also contribute, depending on thermal maturation history. We utilize a recent model for anisotropic complex conductivity, and rigorous experimental protocols to quantify the role of kerogen and pyrolysis on surface and quadrature conductivity in mudrocks. The complex conductivity tensor σ* describes the directional dependence of electrical conduction in a porous medium, and accounts for both conduction and polarization. The complex-valued tensor components are given as σ*ij , where σ'ij represents in-phase and σ"ij denotes quadrature conductivities. The directional dependence of the complex conductivity tensor is relegated to the textural properties of the material. The components of the formation factor and connectivity (tortuosity) tensors Fij and Tij (affecting the bulk and surface conductivity, respectively) are correlated as Fij=TijΦ. Both conductivity and connectivity tensors share the same eigenvectors; the anisotropy ratio is equivalent in TI media. At high pore water salinity, surface and quadrature conductivity share the same bulk tortuosity; when surface conductivity dominates (low salinity), conductivity is controlled by the surface conductance, and the tortuosity of electrical current along mineral surfaces usually higher than that of the pore water. We developed two distinct SIP measurement protocols to obtain the tensor: (1) azimuthal sampling and inversion of phasor potentials through the full-field solution of the Laplace equation; (2) direct measurement of complex conductivity eigenvalues by polarized, single-component stimulus current. Experiments also include unsaturated and saturated measurements with three brines of known salinity and pH, at log-distributed frequencies ranging 1 mHz to 45 kHz. Both azimuthal spectra and eigenvalue spectra validate the theoretical model and illustrate the effectiveness of the protocols themselves. We obtain the textural tensors and invert key parameters including Archie exponents and CEC, and characterize the relaxation phenomena associated with kerogen content and maturity for multiphase fluid systems.

A Compendium of Scale Surface Microstructures: Ni(pt)al Coatings Oxidized at 1150 C for 2000 1-h Cycles

NASA Technical Reports Server (NTRS)

Smialek, James L.; Garg, Anita

2010-01-01

The surface structure of scales formed on Ni(Pt)Al coatings was characterized by SEM/EDS/BSE in plan view. Two nominally identical {100} samples of aluminide coated CMSX4 single crystal were oxidized at 1150 C for 2000 1-h cycles and were found to produce somewhat disparate behavior. One sample, with less propensity for coating grain boundary ridge deformation, presented primarily alpha-Al2O3 scale structures, with minimal weight loss and spallation. The original scale structure, still retained over most of the sample, consisted of the classic theta-alpha transformation-induced ridge network structure, with approx. 25 nm crystallographic steps and terraces indicative of surface rearrangement to low energy alumina planes. The scale grain boundary ridges were often decorated with a fine, uniform distribution of (Hf,Ti)O2 particles. Another sample, producing steady state weight losses, exhibited much interfacial spallation and a complex assortment of different structures. Broad areas of interfacial spalling, crystallographically-faceted (Ni,Co)(Al,Cr)2O4 spinel, with an alpha-Al2O3 base scale, were the dominant features. Other regions exhibited nodular spinel grains, with fine or (Ta,Ti)-rich (rutile) particles decorating or interspersed with the spinel. While these features were consistent with a coating that presented more deformation at extruded grain boundaries, the root cause of the different behavior between the duplicate samples could not be conclusively identified.

Sampling the oxidative weathering products and the potentially acidic permafrost on Mars

NASA Technical Reports Server (NTRS)

Burns, Roger G.

1988-01-01

Large areas of Mars' surface are covered by oxidative weathering products containing ferric and sulfate ions having analogies to terrestrial gossans derived from sulfide mineralization associated with iron-rich basalts. Chemical weathering of such massive and disseminated pyrrhotite-pentlandite assemblages and host basaltic rocks in the Martian environment could have produced metastable gossaniferous phases (limonite containing poorly crystalline hydrated ferric sulfates and oxyhydroxides, clay silicates and opal). Underlying groundwater, now permafrost on Mars, may still be acidic due to incomplete buffering reactions by wall-rock alteration of unfractured host rock. Such acidic solutions stabilize temperature-sensitive complex ions and sols which flocculate to colloidal precipitates at elevated temperatures. Sampling procedures of Martian regolith will need to be designed bearing in mind that the frozen permafrost may be corrosive and be stabilizing unique complex ions and sols of Fe, Al, Mg, Ni and other minor elements.

Cytotoxic, genotoxic and mutagenic evaluation of surface waters from a coal exploration region.

PubMed

Porta, Cynthia Silva; Dos Santos, Débora Lemes; Bernardes, Hélio Vieira; Bellagamba, Bruno Corrêa; Duarte, Anaí; Dias, Johnny Ferraz; da Silva, Fernanda Rabaioli; Lehmann, Mauricio; da Silva, Juliana; Dihl, Rafael Rodrigues

2017-04-01

Coal mining generates a considerable amount of waste, which is disposed of in piles or dams near mining sites. As a result, leachates may reach rivers and streams, promoting the wide dispersion of contaminants in solution and as particulate matter. The present study evaluated the cytotoxic, genotoxic, and mutagenic action of surface waters collected around a thermoelectric power plant and the largest mining area in Brazil (Candiota). Four sites in Candiota stream were selected, and samples were collected in winter and summer. Water samples were analyzed using the comet and CBMN assays in V79 and HepG2 cells. Furthermore, genotoxicity of water samples was evaluated in vivo using the SMART in Drosophila melanogaster. In addition, polycyclic aromatic hydrocarbons and inorganic elements were quantified. The results indicate that water samples exhibited no genotoxic and mutagenic activities, whether in vitro or in vivo. On the other hand, surface water samples collected in sites near the power plant in both summer and winter inhibited cell proliferation and induced increased frequencies of V79 cell death, apoptosis, and necrosis. The cytotoxicity observed may be associated with the presence of higher concentration of inorganic elements, especially aluminum, silicon, sulfur, titanium and zinc at sites 1 and 2 in the stream, as well as with the complex mixture present in the coal, in both seasons. Therefore, the results obtained point to the toxicity potential of water samples with the influence of coal mining and combustion processes and the possible adverse effects on the health of exposed organisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of strain rate and surface cracks on the mechanical behaviour of Balmoral Red granite.

PubMed

Mardoukhi, Ahmad; Mardoukhi, Yousof; Hokka, Mikko; Kuokkala, Veli-Tapani

2017-01-28

This work presents a systematic study on the effects of strain rate and surface cracks on the mechanical properties and behaviour of Balmoral Red granite. The tensile behaviour of the rock was studied at low and high strain rates using Brazilian disc samples. Heat shocks were used to produce samples with different amounts of surface cracks. The surface crack patterns were analysed using optical microscopy, and the complexity of the patterns was quantified by calculating the fractal dimensions of the patterns. The strength of the rock clearly drops as a function of increasing fractal dimensions in the studied strain rate range. However, the dynamic strength of the rock drops significantly faster than the quasi-static strength, and, because of this, also the strain rate sensitivity of the rock decreases with increasing fractal dimensions. This can be explained by the fracture behaviour and fragmentation during the dynamic loading, which is more strongly affected by the heat shock than the fragmentation at low strain rates.This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'. © 2016 The Author(s).

Effects of strain rate and surface cracks on the mechanical behaviour of Balmoral Red granite

PubMed Central

Kuokkala, Veli-Tapani

2017-01-01

This work presents a systematic study on the effects of strain rate and surface cracks on the mechanical properties and behaviour of Balmoral Red granite. The tensile behaviour of the rock was studied at low and high strain rates using Brazilian disc samples. Heat shocks were used to produce samples with different amounts of surface cracks. The surface crack patterns were analysed using optical microscopy, and the complexity of the patterns was quantified by calculating the fractal dimensions of the patterns. The strength of the rock clearly drops as a function of increasing fractal dimensions in the studied strain rate range. However, the dynamic strength of the rock drops significantly faster than the quasi-static strength, and, because of this, also the strain rate sensitivity of the rock decreases with increasing fractal dimensions. This can be explained by the fracture behaviour and fragmentation during the dynamic loading, which is more strongly affected by the heat shock than the fragmentation at low strain rates. This article is part of the themed issue ‘Experimental testing and modelling of brittle materials at high strain rates’. PMID:27956513

Attenuated total reflectance spectroscopy of plant leaves: A tool for ecological and botanical studies

USGS Publications Warehouse

Ribeiro da Luz, B.

2006-01-01

??? Attenuated total reflectance (ATR) spectra of plant leaves display complex absorption features related to organic constituents of leaf surfaces. The spectra can be recorded rapidly, both in the field and in the laboratory, without special sample preparation. ??? This paper explores sources of ATR spectral variation in leaves, including compositional, positional and temporal variations. Interspecific variations are also examined, including the use of ATR spectra as a tool for species identification. ??? Positional spectral variations generally reflected the abundance of cutin and the epicuticular wax thickness and composition. For example, leaves exposed to full sunlight commonly showed more prominent cutin- and wax-related absorption features compared with shaded leaves. Adaxial vs. abaxial leaf surfaces displayed spectral variations reflecting differences in trichome abundance and wax composition. Mature vs. young leaves showed changes in absorption band position and intensity related to cutin, polysaccharide, and possibly amorphous silica development on and near the leaf surfaces. ??? Provided that similar samples are compared (e.g. adaxial surfaces of mature, sun-exposed leaves) same-species individuals display practically identical ATR spectra. Using spectral matching procedures to analyze an ATR database containing 117 individuals, including 32 different tree species, 83% of the individuals were correctly identified. ?? The Authors (2006).

Groundwater flow and hydrogeochemical evolution in the Jianghan Plain, central China

NASA Astrophysics Data System (ADS)

Gan, Yiqun; Zhao, Ke; Deng, Yamin; Liang, Xing; Ma, Teng; Wang, Yanxin

2018-05-01

Hydrogeochemical analysis and multivariate statistics were applied to identify flow patterns and major processes controlling the hydrogeochemistry of groundwater in the Jianghan Plain, which is located in central Yangtze River Basin (central China) and characterized by intensive surface-water/groundwater interaction. Although HCO3-Ca-(Mg) type water predominated in the study area, the 457 (21 surface water and 436 groundwater) samples were effectively classified into five clusters by hierarchical cluster analysis. The hydrochemical variations among these clusters were governed by three factors from factor analysis. Major components (e.g., Ca, Mg and HCO3) in surface water and groundwater originated from carbonate and silicate weathering (factor 1). Redox conditions (factor 2) influenced the geogenic Fe and As contamination in shallow confined groundwater. Anthropogenic activities (factor 3) primarily caused high levels of Cl and SO4 in surface water and phreatic groundwater. Furthermore, the factor score 1 of samples in the shallow confined aquifer gradually increased along the flow paths. This study demonstrates that enhanced information on hydrochemistry in complex groundwater flow systems, by multivariate statistical methods, improves the understanding of groundwater flow and hydrogeochemical evolution due to natural and anthropogenic impacts.

Mars Orbiter Sample Return Power Design

NASA Technical Reports Server (NTRS)

Mardesich, N.; Dawson, S.

2005-01-01

Mars has greatly intrigued scientists and the general public for many years because, of all the planets, its environment is most like Earth's. Many scientists believe that Mars once had running water, although surface water is gone today. The planet is very cold with a very thin atmosphere consisting mainly of CO2. Mariner 4, 6, and 7 explored the planet in flybys in the 1960s and by the orbiting Mariner 9 in 1971. NASA then mounted the ambitious Viking mission, which launched two orbiters and two landers to the planet in 1975. The landers found ambiguous evidence of life. Mars Pathfinder landed on the planet on July 4, 1997, delivering a mobile robot rover that demonstrated exploration of the local surface environment. Mars Global Surveyor is creating a highest-resolution map of the planet's surface. These prior and current missions to Mars have paved the way for a complex Mars Sample Return mission planned for 2003 and 2005. Returning surface samples from Mars will necessitate retrieval of material from Mars orbit. Sample mass and orbit are restricted to the launch capability of the Mars Ascent Vehicle. A small sample canister having a mass less than 4 kg and diameter of less than 16 cm will spend from three to seven years in a 600 km orbit waiting for retrieval by a second spacecraft consisting of an orbiter equipped with a sample canister retrieval system, and a Earth Entry Vehicle. To allow rapid detection of the on-orbit canister, rendezvous, and collection of the samples, the canister will have a tracking beacon powered by a surface mounted solar array. The canister must communicate using RF transmission with the recovery vehicle that will be coming in 2006 or 2009 to retrieve the canister. This paper considers the aspect and conclusion that went into the design of the power system that achieves the maximum power with the minimum risk. The power output for the spherical orbiting canister was modeled and plotted in various views of the orbit by the Satellite Orbit Analysis Program (SOAP).

Large area sub-micron chemical imaging of magnesium in sea urchin teeth.

PubMed

Masic, Admir; Weaver, James C

2015-03-01

The heterogeneous and site-specific incorporation of inorganic ions can profoundly influence the local mechanical properties of damage tolerant biological composites. Using the sea urchin tooth as a research model, we describe a multi-technique approach to spatially map the distribution of magnesium in this complex multiphase system. Through the combined use of 16-bit backscattered scanning electron microscopy, multi-channel energy dispersive spectroscopy elemental mapping, and diffraction-limited confocal Raman spectroscopy, we demonstrate a new set of high throughput, multi-spectral, high resolution methods for the large scale characterization of mineralized biological materials. In addition, instrument hardware and data collection protocols can be modified such that several of these measurements can be performed on irregularly shaped samples with complex surface geometries and without the need for extensive sample preparation. Using these approaches, in conjunction with whole animal micro-computed tomography studies, we have been able to spatially resolve micron and sub-micron structural features across macroscopic length scales on entire urchin tooth cross-sections and correlate these complex morphological features with local variability in elemental composition. Copyright © 2015 Elsevier Inc. All rights reserved.

Complex mixture analysis by photoionization mass spectrometry with a VUV hydrogen laser source

NASA Astrophysics Data System (ADS)

Huth, T. C.; Denton, M. B.

1985-12-01

Trace organic analysis in complex matrix presents one of the most challenging problems in analytical mass spectrometry. When ionization is accomplished non-selectively using electron impact, extensive sample clean-up is often necessary in order to isolate the analyte from the matrix. Sample preparation can be greatly reduced when the VUV H2 laser is used to selectively photoionize only a small fraction of compounds introduced into the ion source. This device produces parent ions only for all compounds whose ionization potentials lie below a threshold value determined by the photon energy of 7.8 eV. The only observed interference arises from electron impact ionization, when scattered laser radiation interacts with metal surfaces, producing electrons which are then accelerated by potential fields inside the source. These can be suppressed to levels acceptable for practical analysis through proper instrumental design. Results are presented which indicate the ability of this ion source to discriminate against interfering matrix components, in simple extracts from a variety of complex real world matrices, such as brewed coffee, beer, and urine.

Air monitoring for volatile organic compounds at the Pilot Plant Complex, Aberdeen Proving Ground, Maryland

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schneider, J.F.; O`Neill, H.J.; Raphaelian, L.A.

1995-03-01

The US Army`s Aberdeen Proving Ground has been a test site for a variety of munitions, including chemical warfare agents (CWA). The Pilot Plant Complex (PPC) at Aberdeen was the site of development, manufacture, storage, and disposal of CWA. Deterioration of the buildings and violations of environmental laws led to closure of the complex in 1986. Since that time, all equipment, piping, and conduit in the buildings have been removed. The buildings have been declared free of surface CWA contamination as a result of air sampling using the military system. However, no air sampling has been done to determine ifmore » other hazardous volatile organic compounds are present in the PPC, although a wide range of toxic and/or hazardous materials other than CWA was used in the PPC. The assumption has been that the air in the PPC is not hazardous. The purpose of this air-monitoring study was to screen the indoor air in the PPC to confirm the assumption that the air does not contain volatile organic contaminants at levels that would endanger persons in the buildings. A secondary purpose was to identify any potential sources of volatile organic contaminants that need to be monitored in subsequent sampling efforts.« less

Application of the high throughput Attagene Factorial TM ...

EPA Pesticide Factsheets

Bioassays can be employed to evaluate the integrated effects of complex mixtures of both known and unidentified contaminants present in environmental samples. However, such methods have typically focused on one or a few pathways despite the fact that the chemicals in a mixture may exhibit a wide range of activities. High throughput toxicology approaches that can rapidly screen samples for a broad diversity of biological activities offer a means to provide a more comprehensive characterization of complex mixtures. To test this concept, twenty-four ambient water samples were collected, extracted, and screened for their ability to interact with or modulate over 80 different transcription factors using the Attagene FactorialTM platform utilized by the US EPA’s ToxCast Program. Samples evaluated included 10 water samples collected in varying proximity to a wastewater discharge into the St. Louis River, MN; water collected at five sites along a gradient centered on a wastewater discharge into the Maumee River, Ohio, USA; and eight samples collected in association with a nation-wide USGS surface streams study. For samples collected along the St. Louis River, the greatest number of biological activities were observed at locations closest to wastewater discharge with up to 13 endpoints responding. The Maumee River showed a gradient response in the number of observed activities, ranging from three positive responses observed far upstream of a wastewater discharge to 10

Complex Rayleigh Waves Produced by Shallow Sedimentary Basins and their Potential Effects on Mid-Rise Buildings

NASA Astrophysics Data System (ADS)

Kohler, M. D.; Castillo, J.; Massari, A.; Clayton, R. W.

2017-12-01

Earthquake-induced motions recorded by spatially dense seismic arrays in buildings located in the northern Los Angeles basin suggest the presence of complex, amplified surface wave effects on the seismic demand of mid-rise buildings. Several moderate earthquakes produced large-amplitude, seismic energy with slow shear-wave velocities that cannot be explained or accurately modeled by any published 3D seismic velocity models or by Vs30 values. Numerical experiments are conducted to determine if sedimentary basin features are responsible for these rarely modeled and poorly documented contributions to seismic demand computations. This is accomplished through a physics-based wave propagation examination of the effects of different sedimentary basin geometries on the nonlinear response of a mid-rise structural model based on an existing, instrumented building. Using two-dimensional finite-difference predictive modeling, we show that when an earthquake focal depth is near the vertical edge of an elongated and relatively shallow sedimentary basin, dramatically amplified and complex surface waves are generated as a result of the waveguide effect introduced by this velocity structure. In addition, for certain source-receiver distances and basin geometries, body waves convert to secondary Rayleigh waves that propagate both at the free-surface interface and along the depth interface of the basin that show up as multiple large-amplitude arrivals. This study is motivated by observations from the spatially dense, high-sample-rate acceleration data recorded by the Community Seismic Network, a community-hosted strong-motion network, currently consisting of hundreds of sensors located in the southern California area. The results provide quantitative insight into the causative relationship between a sedimentary basin shape and the generation of Rayleigh waves at depth, surface waves at the free surface, scattered seismic energy, and the sensitivity of building responses to each of these.

Using Atomic Force Microscopy to Characterize the Conformational Properties of Proteins and Protein-DNA Complexes That Carry Out DNA Repair.

PubMed

LeBlanc, Sharonda; Wilkins, Hunter; Li, Zimeng; Kaur, Parminder; Wang, Hong; Erie, Dorothy A

2017-01-01

Atomic force microscopy (AFM) is a scanning probe technique that allows visualization of single biomolecules and complexes deposited on a surface with nanometer resolution. AFM is a powerful tool for characterizing protein-protein and protein-DNA interactions. It can be used to capture snapshots of protein-DNA solution dynamics, which in turn, enables the characterization of the conformational properties of transient protein-protein and protein-DNA interactions. With AFM, it is possible to determine the stoichiometries and binding affinities of protein-protein and protein-DNA associations, the specificity of proteins binding to specific sites on DNA, and the conformations of the complexes. We describe methods to prepare and deposit samples, including surface treatments for optimal depositions, and how to quantitatively analyze images. We also discuss a new electrostatic force imaging technique called DREEM, which allows the visualization of the path of DNA within proteins in protein-DNA complexes. Collectively, these methods facilitate the development of comprehensive models of DNA repair and provide a broader understanding of all protein-protein and protein-nucleic acid interactions. The structural details gleaned from analysis of AFM images coupled with biochemistry provide vital information toward establishing the structure-function relationships that govern DNA repair processes. © 2017 Elsevier Inc. All rights reserved.

A new sample environment for cryogenic nuclear resonance scattering experiments on single crystals and microsamples at P01, PETRA III

NASA Astrophysics Data System (ADS)

Rackwitz, Sergej; Faus, Isabelle; Schmitz, Markus; Kelm, Harald; Krüger, Hans-Jörg; Andersson, K. Kristoffer; Hersleth, Hans-Petter; Achterhold, Klaus; Schlage, Kai; Wille, Hans-Christian; Schünemann, Volker; Wolny, Juliusz A.

2014-04-01

In order to carry out orientation dependent nuclear resonance scattering (NRS) experiments on small single crystals of e.g. iron proteins and/or chemical complexes but also on surfaces and other micrometer-sized samples a 2-circle goniometer including sample positioning optics has been installed at beamline P01, PETRA III, DESY, Hamburg. This sample environment is now available for all users of this beamline. Sample cooling is performed with a cryogenic gas stream which allows NRS measurements in the temperature range from 80 up to 400 K. In a first test this new sample environment has been used in order to investigate the orientation dependence of the nuclear inelastic scattering (NIS) signature of (i) a dinuclear iron(II) spin crossover (SCO) system and (ii) a hydrogen peroxide treated metmyoglobin single crystal.

New Evidence for the Presence of Indigenous Microfossils in Carbonaceous Chondrites

NASA Technical Reports Server (NTRS)

Hoover, Richard B.; Rozanov, Alexei Yu.

2004-01-01

We present additional evidence for the presence of indigenous microfossils in carbonaceous meteorites scanning electron micrograph studies of freshly fractured interior surfaces of pristine samples of the Murchison CM2 carbonaceous meteorite have revealed forms in-situ that are recognizable as biofilms as well as complex and highly structured forms similar to calcareous and siliceous microfossils. Some of the forms encountered are very well-preserved and exhibit complex associated microstructures similar to bacterial flagella. New images will be presented of forms recently encountered in carbonaceous meteorites and they will be compared with those of known microbial extremophiles. KEYWORDS: carbonaceous chondrites, Murchison, microfossils, extremophiles

Surface-Tension Replica-Exchange Molecular Dynamics Method for Enhanced Sampling of Biological Membrane Systems.

PubMed

Mori, Takaharu; Jung, Jaewoon; Sugita, Yuji

2013-12-10

Conformational sampling is fundamentally important for simulating complex biomolecular systems. The generalized-ensemble algorithm, especially the temperature replica-exchange molecular dynamics method (T-REMD), is one of the most powerful methods to explore structures of biomolecules such as proteins, nucleic acids, carbohydrates, and also of lipid membranes. T-REMD simulations have focused on soluble proteins rather than membrane proteins or lipid bilayers, because explicit membranes do not keep their structural integrity at high temperature. Here, we propose a new generalized-ensemble algorithm for membrane systems, which we call the surface-tension REMD method. Each replica is simulated in the NPγT ensemble, and surface tensions in a pair of replicas are exchanged at certain intervals to enhance conformational sampling of the target membrane system. We test the method on two biological membrane systems: a fully hydrated DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine) lipid bilayer and a WALP23-POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) membrane system. During these simulations, a random walk in surface tension space is realized. Large-scale lateral deformation (shrinking and stretching) of the membranes takes place in all of the replicas without collapse of the lipid bilayer structure. There is accelerated lateral diffusion of DPPC lipid molecules compared with conventional MD simulation, and a much wider range of tilt angle of the WALP23 peptide is sampled due to large deformation of the POPC lipid bilayer and through peptide-lipid interactions. Our method could be applicable to a wide variety of biological membrane systems.

Detection of retromer assembly in Plasmodium falciparum by immunosensing coupled to Surface Plasmon Resonance.

PubMed

Iqbal, Mohd Shameel; Siddiqui, Asim Azhar; Banerjee, Chinmoy; Nag, Shiladitya; Mazumder, Somnath; De, Rudranil; Saha, Shubhra Jyoti; Karri, Suresh Kumar; Bandyopadhyay, Uday

Retromer complex plays a crucial role in intracellular protein trafficking and is conserved throughout the eukaryotes including malaria parasite, Plasmodium falciparum, where it is partially conserved. The assembly of retromer complex in RBC stages of malarial parasite is extremely difficult to explore because of its complicated physiology, small size, and intra-erythrocytic location. Nonetheless, understanding of retromer assembly may pave new ways for the development of novel antimalarials targeting parasite-specific protein trafficking pathways. Here, we investigated the assembly of retromer complex in P. falciparum, by an immunosensing method through highly sensitive Surface Plasmon Resonance (SPR) technique. After taking leads from the bioinformatics search and literature, different interacting proteins were identified and specific antibodies were raised against them. The sensor chip was prepared by covalently linking antibody specific to one component and the whole cell lysate was passed through it in order to trap the interacting complex. Antibodies raised against other interacting components were used to detect them in the trapped complex on the SPR chip. We were able to detect three different components in the retromer complex trapped by the immobilized antibody specific against a different component on a sensor chip. The assay was reproduced and validated in a different two-component CD74-MIF system in mammalian cells. We, thus, illustrate the assembly of retromer complex in P. falciparum through a bio-sensing approach that combines SPR with immunosensing requiring a very small amount of sample from the native source. Copyright © 2018 Elsevier B.V. All rights reserved.

Miniaturized Temperature-Controlled Planar Chromatography (Micro-TLC) as a Versatile Technique for Fast Screening of Micropollutants and Biomarkers Derived from Surface Water Ecosystems and During Technological Processes of Wastewater Treatment.

PubMed

Ślączka-Wilk, Magdalena M; Włodarczyk, Elżbieta; Kaleniecka, Aleksandra; Zarzycki, Paweł K

2017-07-01

There is increasing interest in the development of simple analytical systems enabling the fast screening of target components in complex samples. A number of newly invented protocols are based on quasi separation techniques involving microfluidic paper-based analytical devices and/or micro total analysis systems. Under such conditions, the quantification of target components can be performed mainly due to selective detection. The main goal of this paper is to demonstrate that miniaturized planar chromatography has the capability to work as an efficient separation and quantification tool for the analysis of multiple targets within complex environmental samples isolated and concentrated using an optimized SPE method. In particular, we analyzed various samples collected from surface water ecosystems (lakes, rivers, and the Baltic Sea of Middle Pomerania in the northern part of Poland) in different seasons, as well as samples collected during key wastewater technological processes (originating from the "Jamno" wastewater treatment plant in Koszalin, Poland). We documented that the multiple detection of chromatographic spots on RP-18W microplates-under visible light, fluorescence, and fluorescence quenching conditions, and using the visualization reagent phosphomolybdic acid-enables fast and robust sample classification. The presented data reveal that the proposed micro-TLC system is useful, inexpensive, and can be considered as a complementary method for the fast control of treated sewage water discharged by a municipal wastewater treatment plant, particularly for the detection of low-molecular mass micropollutants with polarity ranging from estetrol to progesterone, as well as chlorophyll-related dyes. Due to the low consumption of mobile phases composed of water-alcohol binary mixtures (less than 1 mL/run for the simultaneous separation of up to nine samples), this method can be considered an environmentally friendly and green chemistry analytical tool. The described analytical protocol can be complementary to those involving classical column chromatography (HPLC) or various planar microfluidic devices.

Spectroscopic study on variations in illite surface properties after acid-base titration.

PubMed

Liu, Wen-xin; Coveney, R M; Tang, Hong-xiao

2003-07-01

FT-IR, Raman microscopy, XRD, 29Si and 27Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid-base potentiometric titration. The characteristic XRD lines indicated the presence of surface Al-Si complexes, preferable to Al(OH)3 precipitates. In the microscopic Raman spectra, the vibration peaks of Si-O and Al-O bonds diminished as a result of treatment with acid, then increased after hydroxide back titration. The varied ratio of signal intensity between (IV)Al and (VI)Al species in 27Al MAS NMR spectra, together with the stable BET surface area after acidimetric titration, suggested that edge faces and basal planes in the layer structure of illite participated in dissolution of structural components. The combined spectroscopic evidence demonstrated that the reactions between illite surfaces and acid-leaching silicic acid and aluminum ions should be considered in the model description of surface acid-base properties of the aqueous illite.

Surface laser marking optimization using an experimental design approach

NASA Astrophysics Data System (ADS)

Brihmat-Hamadi, F.; Amara, E. H.; Lavisse, L.; Jouvard, J. M.; Cicala, E.; Kellou, H.

2017-04-01

Laser surface marking is performed on a titanium substrate using a pulsed frequency doubled Nd:YAG laser ( λ= 532 nm, τ pulse=5 ns) to process the substrate surface under normal atmospheric conditions. The aim of the work is to investigate, following experimental and statistical approaches, the correlation between the process parameters and the response variables (output), using a Design of Experiment method (DOE): Taguchi methodology and a response surface methodology (RSM). A design is first created using MINTAB program, and then the laser marking process is performed according to the planned design. The response variables; surface roughness and surface reflectance were measured for each sample, and incorporated into the design matrix. The results are then analyzed and the RSM model is developed and verified for predicting the process output for the given set of process parameters values. The analysis shows that the laser beam scanning speed is the most influential operating factor followed by the laser pumping intensity during marking, while the other factors show complex influences on the objective functions.

Surface complexation and precipitate geometry for aqueous Zn(II) sorption on ferrihydrite: II. XANES analysis and simulation

USGS Publications Warehouse

Waychunas, G.A.; Fuller, C.C.; Davis, J.A.; Rehr, J.J.

2003-01-01

X-ray absorption near-edge spectroscopy (XANES) analysis of sorption complexes has the advantages of high sensitivity (10- to 20-fold greater than extended X-ray absorption fine structure [EXAFS] analysis) and relative ease and speed of data collection (because of the short k-space range). It is thus a potentially powerful tool for characterization of environmentally significant surface complexes and precipitates at very low surface coverages. However, quantitative analysis has been limited largely to "fingerprint" comparison with model spectra because of the difficulty of obtaining accurate multiple-scattering amplitudes for small clusters with high confidence. In the present work, calculations of the XANES for 50- to 200-atom clusters of structure from Zn model compounds using the full multiple-scattering code Feff 8.0 accurately replicate experimental spectra and display features characteristic of specific first-neighbor anion coordination geometry and second-neighbor cation geometry and number. Analogous calculations of the XANES for small molecular clusters indicative of precipitation and sorption geometries for aqueous Zn on ferrihydrite, and suggested by EXAFS analysis, are in good agreement with observed spectral trends with sample composition, with Zn-oxygen coordination and with changes in second-neighbor cation coordination as a function of sorption coverage. Empirical analysis of experimental XANES features further verifies the validity of the calculations. The findings agree well with a complete EXAFS analysis previously reported for the same sample set, namely, that octahedrally coordinated aqueous Zn2+ species sorb as a tetrahedral complex on ferrihydrite with varying local geometry depending on sorption density. At significantly higher densities but below those at which Zn hydroxide is expected to precipitate, a mainly octahedral coordinated Zn2+ precipitate is observed. An analysis of the multiple scattering paths contributing to the XANES demonstrates the importance of scattering paths involving the anion sublattice. We also describe the specific advantages of complementary quantitative XANES and EXAFS analysis and estimate limits on the extent of structural information obtainable from XANES analysis. ?? 2003 Elsevier Science Ltd.

Seismic signals from the slab surface within and downdip of the thrust zone: blind men and the elephant?

NASA Astrophysics Data System (ADS)

Abers, G. A.; Janiszewski, H. A.; Keranen, K. M.; Li, J.; Saffer, D. M.; Shillington, D. J.; Schindler, K.

2016-12-01

The subduction plate interface as been variably described as a narrow discontinuity, a decoupling layer, a viscous channel, or an intensely deformed mixing zone. The 1994 Subduction Conference depicted this ambiguity with the parable of the blind men and the elephant, as participants struggled to rationalize dissimilar observations with an integrated view of subduction. We illustrate here how different seismological tools reveal contradictory natures to the slab surface at 30-80 km depth, highlighting new examples from Alaska and Cascadia. At the km scale and 0.05-0.5 Hz, the teleseismic scattered wavefield that generates receiver functions shows strong consistent patterns. It indicates a uniformly layered plate interface structure with a low-velocity channel along the thrust zone where earthquakes and slow slip events occur. These channels appear homogeneous and 1-4 km thick over wide areas, with hints of strong anisotropy. By contrast, reflection seismology shows complex discontinuous reflectivity packages at the tens of m scale and 5-20 Hz that imply much greater heterogeneity, in both in normal-incidence and wide-angle reflections. To span the intervening frequency band we analyze P-S conversions from in-slab earthquakes recorded nearby, in southern Alaska. These 1-10 Hz signals arrive between P and S and have comparable amplitude, indicating sharp or complex boundaries near the slab surface at 30-50 km depth. However the signals are not uniformly observed and indicate significant heterogeneity in the causative structure. The conversion points lie within those sampled by receiver functions so the differences are not due to geographic variations, and can be analyzed jointly. Taken together, these observations suggest that the same boundary is continuous and relatively homogenous, or highly heterogeneous and laminated, depending on its sampling. They can be reconciled if the structure at km-scale is relatively simple, while it is complex and highly heterogeneous at shorter wavelengths. A complex but sharply bounded low-velocity shear zone best explains these observations, indicating that most deformation is highly localized rather than forming broadly-distributed ductile flow features even well into the aseismic region.

Influence of domestic pets on soil concentrations of dissolved organic carbon, nitrogen, and phosphorus under turfgrass in apartment complexes of Central Texas, USA

NASA Astrophysics Data System (ADS)

Steele, M.; Aitkenhead-Peterson, J. A.

2009-12-01

High nitrogen (N) and phosphorus (P) watershed loading rates increases the concentration and loads present in urban streams and rivers, resulting in eutrophication and degradation of surface water quality. Domestic pet animal feed may represent a significant proportion of nitrogen loading in urban watersheds, and because it is deposited directly on the watershed surface may have a large effect on N loads in urban surface waters (Baker et al. 2001). Animal manure has long been used to increase soil N and phosphorus concentrations for the purpose of growing agricultural crops; however, little is known about unintentional urban manuring resulting from a high density of domesticated pets. The purpose of this study is to determine if the presence of domesticated animals in high density urban developments results in increased concentrations of soil dissolved organic carbon (DOC), N, and P and the potential to contribute to loading of urban streams. Composite soil samples from the 0 to 5 cm and 5 to 10 cm soil depth were collected from apartment complexes in Bryan/College Station (BCS) and San Antonio, Texas during August, 2009. Apartment complexes were randomly located around the city and were chosen based on their rules regarding pet ownership. Four apartment complexes that allowed all domestic pets were compared to four that did not allow any domestic pets on the property. A 10:1 water extraction of field moist soil was conducted immediately after sampling. Soil water extracts were analyzed for DOC, total dissolved nitrogen (TDN), nitrate-N, ammonium-N, dissolved organic N, and orthophosphate-P. Results indicated significantly increased concentrations of DOC and N species at both depths in BCS apartments that allowed pets compared to those that did not; however, opposite trends were found in San Antonio. There is a trend for increased concentrations of orthophosphate-P at both locations. Baker, L.A., D. Hope, Y. Xu, et al. 2001. Nitrogen balance for the central Arizona-Phoenix (CAP) ecosystem. Ecosystems 4: 582-602.

Temperature Controlled Electrostatic Disorder and Polymorphism in Ultrathin Films of α-Sexithiophene

NASA Astrophysics Data System (ADS)

Hoffman, Benjamin; Jafari, Sara; McAfee, Terry; Apperson, Aubrey; O'Connor, Brendan; Dougherty, Daniel

Competing phases in well-ordered alpha-sexithiophene (α-6T) are shown to contribute to electrostatic disorder observed by differences in surface potential between mono- and bi-layer crystallites. Ultrathin films are of key importance to devices in which charge transport occurs in the first several monolayers nearest to a dielectric interface (e.g. thin film transistors) and complex structures in this regime impact the general electrostatic landscape. This study is comprised of 1.5 ML sample crystals grown via organic molecular beam deposition onto a temperature controlled hexamethyldisilazane (HMDS) passivated SiO2 substrate to produce well-ordered layer-by-layer type growth. Sample topography and surface potential were characterized simultaneously using Kelvin Probe Force Microscopy to then isolate contact potential differences by first and second layer α-6T regions. Films grown on 70° C, 120° C substrates are observed to have a bilayer with lower, higher potential than the monolayer, respectively. Resulting interlayer potential differences are a clear source of electrostatic disorder and are explained as subtle shifts in tilt-angles between layers relative to the substrate. These empirical results continue our understanding of how co-existing orientations contribute to the complex electrostatics influencing charge transport. NSF CAREER award DMR-1056861.

Genetic Structure of Bluefin Tuna in the Mediterranean Sea Correlates with Environmental Variables

PubMed Central

Riccioni, Giulia; Stagioni, Marco; Landi, Monica; Ferrara, Giorgia; Barbujani, Guido; Tinti, Fausto

2013-01-01

Background Atlantic Bluefin Tuna (ABFT) shows complex demography and ecological variation in the Mediterranean Sea. Genetic surveys have detected significant, although weak, signals of population structuring; catch series analyses and tagging programs identified complex ABFT spatial dynamics and migration patterns. Here, we tested the hypothesis that the genetic structure of the ABFT in the Mediterranean is correlated with mean surface temperature and salinity. Methodology We used six samples collected from Western and Central Mediterranean integrated with a new sample collected from the recently identified easternmost reproductive area of Levantine Sea. To assess population structure in the Mediterranean we used a multidisciplinary framework combining classical population genetics, spatial and Bayesian clustering methods and a multivariate approach based on factor analysis. Conclusions FST analysis and Bayesian clustering methods detected several subpopulations in the Mediterranean, a result also supported by multivariate analyses. In addition, we identified significant correlations of genetic diversity with mean salinity and surface temperature values revealing that ABFT is genetically structured along two environmental gradients. These results suggest that a preference for some spawning habitat conditions could contribute to shape ABFT genetic structuring in the Mediterranean. However, further studies should be performed to assess to what extent ABFT spawning behaviour in the Mediterranean Sea can be affected by environmental variation. PMID:24260341

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

DOE PAGES

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; ...

2017-10-06

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Do complex matrices modify the sorptive properties of polydimethylsiloxane (PDMS) for non-polar organic chemicals?

PubMed

Jahnke, Annika; Mayer, Philipp

2010-07-16

The partitioning of non-polar analytes into the silicone polydimethylsiloxane (PDMS) is the basis for many analytical approaches such as solid phase microextraction (SPME), stir bar sorptive extraction (SBSE) and environmental passive sampling. Recently, the methods have been applied to increasingly complex sample matrices. The present work investigated the possible effect of complex matrices on the sorptive properties of PDMS. First, SPME fibers with a 30 microm PDMS coating were immersed in 15 different matrices, including sediment, suspensions of soil and humic substances, mayonnaise, meat, fish, olive oil and fish oil. Second, the surface of the fibers was wiped clean, and together with matrix-free control fibers, they were exposed via headspace to 7 non-polar halogenated organic chemicals in spiked olive oil. The fibers were then solvent-extracted, analyzed, and the ratios of the mean concentrations in the matrix-immersed fibers to the control fibers were determined for all matrices. These ratios ranged from 92% to 112% for the four analytes with the highest analytical precision (i.e. polychlorinated biphenyls (PCBs) 3, 28, 52 and brominated diphenyl ether (BDE) 3), and they ranged from 74% to 133% for the other three compounds (i.e. PCBs 101, 105 and gamma-hexachlorocyclohexane (HCH)). We conclude that, for non-polar, hydrophobic chemicals, the sorptive properties of the PDMS were not modified by the diverse investigated media and consequently that PDMS is suited for sampling of these analytes even in highly complex matrices. 2010 Elsevier B.V. All rights reserved.

High Spatial Resolution 40Ar/39Ar Geochronology of Lunar Impact Melt Rocks

NASA Astrophysics Data System (ADS)

Mercer, Cameron Mark

Impact cratering has played a key role in the evolution of the solid surfaces of Solar System bodies. While much of Earth’s impact record has been erased, its Moon preserves an extensive history of bombardment. Quantifying the timing of lunar impact events is crucial to understanding how impacts have shaped the evolution of early Earth, and provides the basis for estimating the ages of other cratered surfaces in the Solar System. Many lunar impact melt rocks are complex mixtures of glassy and crystalline “melt” materials and inherited clasts of pre-impact minerals and rocks. If analyzed in bulk, these samples can yield complicated incremental release 40Ar/39Ar spectra, making it challenging to uniquely interpret impact ages. Here, I have used a combination of high-spatial resolution 40Ar/39Ar geochronology and thermal-kinetic modeling to gain new insights into the impact histories recorded by such lunar samples. To compare my data to those of previous studies, I developed a software tool to account for differences in the decay, isotopic, and monitor age parameters used for different published 40Ar/39Ar datasets. Using an ultraviolet laser ablation microprobe (UVLAMP) system I selectively dated melt and clast components of impact melt rocks collected during the Apollo 16 and 17 missions. UVLAMP 40Ar/39Ar data for samples 77135, 60315, 61015, and 63355 show evidence of open-system behavior, and provide new insights into how to interpret some complexities of published incremental heating 40Ar/39Ar spectra. Samples 77115, 63525, 63549, and 65015 have relatively simple thermal histories, and UVLAMP 40Ar/39Ar data for the melt components of these rocks indicate the timing of impact events—spanning hundreds of millions of years—that influenced the Apollo 16 and 17 sites. My modeling and UVLAMP 40Ar/39Ar data for sample 73217 indicate that some impact melt rocks can quantitatively retain evidence for multiple melt-producing impact events, and imply that such polygenetic rocks should be regarded as high-value sampling opportunities during future exploration missions to cratered planetary surfaces. Collectively, my results complement previous incremental heating 40Ar/39Ar studies, and support interpretations that the Moon experienced a prolonged period of heavy bombardment early in its history.

Measurements in Vacuum of the Complex Permittivity of Planetary Regolith Analog Materials in Support of the OSIRIS-REx Mission

NASA Astrophysics Data System (ADS)

Boivin, A.; Hickson, D. C.; Cunje, A.; Tsai, C. A.; Ghent, R. R.; Daly, M. G.

2017-12-01

In preparation for the OSIRIS-REx sample return mission, ground based radar data have been used to help characterize the carbonaceous asteroid (101955) Bennu as well as to produce a 3-D shape model. Radar data have also been used to derive the near-surface bulk density of the asteroid, a key engineering factor for sample acquisition and return. The relationship between radar albedo and bulk density of the nearsurface depends on the relative permittivity of the material, in this case regolith. The relative permittivity is complex such that ɛ r = ɛ r' + i ɛ r'', where ɛ r' is the dielectric constant and ɛ r'' is the loss factor. Laboratory permittivity measurements have been made in the past on a myriad of samples including Earth materials, lunar Apollo and analog samples, Mars soil analog samples, some meteorites, and cometary analog samples in support of the Rosetta mission. These measurements have been made in different frequency bands and in various conditions; however, no measurements to date have systematically explored the effect of changes in mineralogy on the complex permittivity, and particularly the loss tangent (tanδ , the ratio of ɛ r'' to ɛ r'). The loss tangent controls the absorption of the signal by the material. Continuing our investigation of the effects of mineralogy on these properties, we will present for the first time results of complex permittivity measurements of the UCF/DSI-CI-2 CI asteroid regolith simulant produced by Deep Space Industries Inc. The simulant is mineralogically similar to the CI meteorite Orgueil. CI meteorites are the most spectrally similar meteorites to (101955) Bennu. Since the simulant has been provided to us un-mixed, several sub-samples will be created containing different amounts of carbon, thus allowing us to systematically investigate the effects of carbon content on the permittivity. In order to remove moisture from our samples, powders are baked at 250°C for 48hrs prior to being loaded into a coaxial transmission line and measured under vacuum. Measurements are made using a sweep of frequencies from 300 KHz to 8.5 GHz.

Multifunctional ultra-high vacuum apparatus for studies of the interactions of chemical warfare agents on complex surfaces

NASA Astrophysics Data System (ADS)

Wilmsmeyer, Amanda R.; Gordon, Wesley O.; Davis, Erin Durke; Mantooth, Brent A.; Lalain, Teri A.; Morris, John R.

2014-01-01

A fundamental understanding of the surface chemistry of chemical warfare agents is needed to fully predict the interaction of these toxic molecules with militarily relevant materials, catalysts, and environmental surfaces. For example, rules for predicting the surface chemistry of agents can be applied to the creation of next generation decontaminants, reactive coatings, and protective materials for the warfighter. Here, we describe a multifunctional ultra-high vacuum instrument for conducting comprehensive studies of the adsorption, desorption, and surface chemistry of chemical warfare agents on model and militarily relevant surfaces. The system applies reflection-absorption infrared spectroscopy, x-ray photoelectron spectroscopy, and mass spectrometry to study adsorption and surface reactions of chemical warfare agents. Several novel components have been developed to address the unique safety and sample exposure challenges that accompany the research of these toxic, often very low vapor pressure, compounds. While results of vacuum-based surface science techniques may not necessarily translate directly to environmental processes, learning about the fundamental chemistry will begin to inform scientists about the critical aspects that impact real-world applications.

Multifunctional ultra-high vacuum apparatus for studies of the interactions of chemical warfare agents on complex surfaces.

PubMed

Wilmsmeyer, Amanda R; Gordon, Wesley O; Davis, Erin Durke; Mantooth, Brent A; Lalain, Teri A; Morris, John R

2014-01-01

A fundamental understanding of the surface chemistry of chemical warfare agents is needed to fully predict the interaction of these toxic molecules with militarily relevant materials, catalysts, and environmental surfaces. For example, rules for predicting the surface chemistry of agents can be applied to the creation of next generation decontaminants, reactive coatings, and protective materials for the warfighter. Here, we describe a multifunctional ultra-high vacuum instrument for conducting comprehensive studies of the adsorption, desorption, and surface chemistry of chemical warfare agents on model and militarily relevant surfaces. The system applies reflection-absorption infrared spectroscopy, x-ray photoelectron spectroscopy, and mass spectrometry to study adsorption and surface reactions of chemical warfare agents. Several novel components have been developed to address the unique safety and sample exposure challenges that accompany the research of these toxic, often very low vapor pressure, compounds. While results of vacuum-based surface science techniques may not necessarily translate directly to environmental processes, learning about the fundamental chemistry will begin to inform scientists about the critical aspects that impact real-world applications.

Multifunctional ultra-high vacuum apparatus for studies of the interactions of chemical warfare agents on complex surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilmsmeyer, Amanda R.; Morris, John R.; Gordon, Wesley O.

2014-01-15

A fundamental understanding of the surface chemistry of chemical warfare agents is needed to fully predict the interaction of these toxic molecules with militarily relevant materials, catalysts, and environmental surfaces. For example, rules for predicting the surface chemistry of agents can be applied to the creation of next generation decontaminants, reactive coatings, and protective materials for the warfighter. Here, we describe a multifunctional ultra-high vacuum instrument for conducting comprehensive studies of the adsorption, desorption, and surface chemistry of chemical warfare agents on model and militarily relevant surfaces. The system applies reflection-absorption infrared spectroscopy, x-ray photoelectron spectroscopy, and mass spectrometry tomore » study adsorption and surface reactions of chemical warfare agents. Several novel components have been developed to address the unique safety and sample exposure challenges that accompany the research of these toxic, often very low vapor pressure, compounds. While results of vacuum-based surface science techniques may not necessarily translate directly to environmental processes, learning about the fundamental chemistry will begin to inform scientists about the critical aspects that impact real-world applications.« less

Analysis of leaf surfaces using scanning ion conductance microscopy.

PubMed

Walker, Shaun C; Allen, Stephanie; Bell, Gordon; Roberts, Clive J

2015-05-01

Leaf surfaces are highly complex functional systems with well defined chemistry and structure dictating the barrier and transport properties of the leaf cuticle. It is a significant imaging challenge to analyse the very thin and often complex wax-like leaf cuticle morphology in their natural state. Scanning electron microscopy (SEM) and to a lesser extent Atomic force microscopy are techniques that have been used to study the leaf surface but their remains information that is difficult to obtain via these approaches. SEM is able to produce highly detailed and high-resolution images needed to study leaf structures at the submicron level. It typically operates in a vacuum or low pressure environment and as a consequence is generally unable to deal with the in situ analysis of dynamic surface events at submicron scales. Atomic force microscopy also possess the high-resolution imaging required and can follow dynamic events in ambient and liquid environments, but can over exaggerate small features and cannot image most leaf surfaces due to their inherent roughness at the micron scale. Scanning ion conductance microscopy (SICM), which operates in a liquid environment, provides a potential complementary analytical approach able to address these issues and which is yet to be explored for studying leaf surfaces. Here we illustrate the potential of SICM on various leaf surfaces and compare the data to SEM and atomic force microscopy images on the same samples. In achieving successful imaging we also show that SICM can be used to study the wetting of hydrophobic surfaces in situ. This has potentially wider implications than the study of leaves alone as surface wetting phenomena are important in a range of fundamental and applied studies. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

Bacterial communities in an ultrapure water containing storage tank of a power plant.

PubMed

Bohus, Veronika; Kéki, Zsuzsa; Márialigeti, Károly; Baranyi, Krisztián; Patek, Gábor; Schunk, János; Tóth, Erika M

2011-12-01

Ultrapure waters (UPWs) containing low levels of organic and inorganic compounds provide extreme environment. On contrary to that microbes occur in such waters and form biofilms on surfaces, thus may induce corrosion processes in many industrial applications. In our study, refined saltless water (UPW) produced for the boiler of a Hungarian power plant was examined before and after storage (sampling the inlet [TKE] and outlet [TKU] waters of a storage tank) with cultivation and culture independent methods. Our results showed increased CFU and direct cell counts after the storage. Cultivation results showed the dominance of aerobic, chemoorganotrophic α-Proteobacteria in both samples. In case of TKU sample, a more complex bacterial community structure could be detected. The applied molecular method (T-RFLP) indicated the presence of a complex microbial community structure with changes in the taxon composition: while in the inlet water sample (TKE) α-Proteobacteria (Sphingomonas sp., Novosphingobium hassiacum) dominated, in the outlet water sample (TKU) the bacterial community shifted towards the dominance of α-Proteobacteria (Rhodoferax sp., Polynucleobacter sp., Sterolibacter sp.), CFB (Bacteroidetes, formerly Cytophaga-Flavobacterium-Bacteroides group) and Firmicutes. This shift to the direction of fermentative communities suggests that storage could help the development of communities with an increased tendency toward corrosion.

Surface speciation of yttrium and neodymium sorbed on rutile: Interpretations using the change distribution model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ridley, Mora K.; Hiemstra, T; Machesky, Michael L.

2012-01-01

The adsorption of Y3+ and Nd3+ onto rutile has been evaluated over a wide range of pH (3 11) and surface loading conditions, as well as at two ionic strengths (0.03 and 0.3 m), and temperatures (25 and 50 C). The experimental results reveal the same adsorption behavior for the two trivalent ions onto the rutile surface, with Nd3+ first adsorbing at slightly lower pH values. The adsorption of both Y3+ and Nd3+ commences at pH values below the pHznpc of rutile. The experimental results were evaluated using a charge distribution (CD) and multisite complexation (MUSIC) model, and Basic Sternmore » layer description of the electric double layer (EDL). The coordination geometry of possible surface complexes were constrained by molecular-level information obtained from X-ray standing wave measurements and molecular dynamic (MD) simulation studies. X-ray standing wave measurements showed an inner-sphere tetradentate complex for Y3+ adsorption onto the (110) rutile surface (Zhang et al., 2004b). TheMDsimulation studies suggest additional bidentate complexes may form. The CD values for all surface species were calculated based on a bond valence interpretation of the surface complexes identified by X-ray and MD. The calculated CD values were corrected for the effect of dipole orientation of interfacial water. At low pH, the tetradentate complex provided excellent fits to the Y3+ and Nd3+ experimental data. The experimental and surface complexation modeling results show a strong pH dependence, and suggest that the tetradentate surface species hydrolyze with increasing pH. Furthermore, with increased surface loading of Y3+ on rutile the tetradentate binding mode was augmented by a hydrolyzed-bidentate Y3+ surface complex. Collectively, the experimental and surface complexation modeling results demonstrate that solution chemistry and surface loading impacts Y3+ surface speciation. The approach taken of incorporating molecular-scale information into surface complexation models (SCMs) should aid in elucidating a fundamental understating of ion-adsorption reactions.« less

Surface speciation of yttrium and neodymium sorbed on rutile: Interpretations using the charge distribution model

NASA Astrophysics Data System (ADS)

Ridley, Moira K.; Hiemstra, Tjisse; Machesky, Michael L.; Wesolowski, David J.; van Riemsdijk, Willem H.

2012-10-01

The adsorption of Y3+ and Nd3+ onto rutile has been evaluated over a wide range of pH (3-11) and surface loading conditions, as well as at two ionic strengths (0.03 and 0.3 m), and temperatures (25 and 50 °C). The experimental results reveal the same adsorption behavior for the two trivalent ions onto the rutile surface, with Nd3+ first adsorbing at slightly lower pH values. The adsorption of both Y3+ and Nd3+ commences at pH values below the pHznpc of rutile. The experimental results were evaluated using a charge distribution (CD) and multisite complexation (MUSIC) model, and Basic Stern layer description of the electric double layer (EDL). The coordination geometry of possible surface complexes were constrained by molecular-level information obtained from X-ray standing wave measurements and molecular dynamic (MD) simulation studies. X-ray standing wave measurements showed an inner-sphere tetradentate complex for Y3+ adsorption onto the (1 1 0) rutile surface (Zhang et al., 2004b). The MD simulation studies suggest additional bidentate complexes may form. The CD values for all surface species were calculated based on a bond valence interpretation of the surface complexes identified by X-ray and MD. The calculated CD values were corrected for the effect of dipole orientation of interfacial water. At low pH, the tetradentate complex provided excellent fits to the Y3+ and Nd3+ experimental data. The experimental and surface complexation modeling results show a strong pH dependence, and suggest that the tetradentate surface species hydrolyze with increasing pH. Furthermore, with increased surface loading of Y3+ on rutile the tetradentate binding mode was augmented by a hydrolyzed-bidentate Y3+ surface complex. Collectively, the experimental and surface complexation modeling results demonstrate that solution chemistry and surface loading impacts Y3+ surface speciation. The approach taken of incorporating molecular-scale information into surface complexation models (SCMs) should aid in elucidating a fundamental understating of ion-adsorption reactions.

First-principles study of stability of helium-vacancy complexes below tungsten surfaces

NASA Astrophysics Data System (ADS)

Yang, L.; Bergstrom, Z. J.; Wirth, B. D.

2018-05-01

Density function theory calculations have been performed to study the stability of small helium-vacancy (He-V) complexes near tungsten (W) surfaces of different orientations. The results show that the stability of vacancies and He-V complexes near W surfaces depends on surface orientation. However, as the depth below the surface increased beyond about 0.65-0.8 nm, the stability of He-V complexes is similar to the bulk. The formation energies of single vacancies and di-vacancies at depths less than 0.2 nm below the W(110) surface are higher than for W(100) or W(111) surfaces, but have lower energies at depths between 0.2 and 0.65 nm. The formation energies of He-V complexes below W surfaces are sensitive to the geometric orientation of the He and vacancy, especially below the W(111) surface. Within about 0.2 nm of the top layer of the three W surfaces, neither a vacancy nor a di-vacancy can trap He. Because of the lower formation energy of He-V complexes and higher He binding energy to vacancies below the W(110) surface, the He desorption from the W(110) surface is less likely to occur than from the W(100) and W(111) surfaces. Our results provide fundamental insight into the differences in surface morphology changes observed in single W crystals with different surface orientations under He plasma exposure.

Recovery of Drug Delivery Nanoparticles from Human Plasma using an Electrokinetic Platform Technology

PubMed Central

Ibsen, Stuart; Sonnenberg, Avery; Schutt, Carolyn; Mukthavaram, Rajesh; Yeh, Yasan; Ortac, Inanc; Manouchehri, Sareh; Kesari, Santosh; Esener, Sadik

2015-01-01

The effect of complex biological fluids on the surface and structure of nanoparticles is a rapidly expanding field of study. One of the challenges holding back this research is the difficulty of recovering therapeutic nanoparticles from biological samples due to their small size, low density, and stealth surface coatings. Here we present the first demonstration of the recovery and analysis of drug delivery nanoparticles from undiluted human plasma samples through the use of a new electrokinetic platform technology. The particles are recovered from plasma through a dielectrophoresis separation force that is created by innate differences in the dielectric properties between the unaltered nanoparticles and the surrounding plasma. We show this can be applied to a wide range of drug delivery nanoparticles of different morphologies and materials, including low density nano-liposomes. These recovered particles can then be analyzed using different methods including scanning electron microscopy to monitor surface and structural changes that result from plasma exposure. We believe that this new recovery technique is broadly applicable to the recovery of nanoparticles from high conductance fluids in a wide range of applications. PMID:26274918

Heating and flooding: A unified approach for rapid generation of free energy surfaces

NASA Astrophysics Data System (ADS)

Chen, Ming; Cuendet, Michel A.; Tuckerman, Mark E.

2012-07-01

We propose a general framework for the efficient sampling of conformational equilibria in complex systems and the generation of associated free energy hypersurfaces in terms of a set of collective variables. The method is a strategic synthesis of the adiabatic free energy dynamics approach, previously introduced by us and others, and existing schemes using Gaussian-based adaptive bias potentials to disfavor previously visited regions. In addition, we suggest sampling the thermodynamic force instead of the probability density to reconstruct the free energy hypersurface. All these elements are combined into a robust extended phase-space formalism that can be easily incorporated into existing molecular dynamics packages. The unified scheme is shown to outperform both metadynamics and adiabatic free energy dynamics in generating two-dimensional free energy surfaces for several example cases including the alanine dipeptide in the gas and aqueous phases and the met-enkephalin oligopeptide. In addition, the method can efficiently generate higher dimensional free energy landscapes, which we demonstrate by calculating a four-dimensional surface in the Ramachandran angles of the gas-phase alanine tripeptide.

Design criteria for developing low-resource magnetic bead assays using surface tension valves

PubMed Central

Adams, Nicholas M.; Creecy, Amy E.; Majors, Catherine E.; Wariso, Bathsheba A.; Short, Philip A.; Wright, David W.; Haselton, Frederick R.

2013-01-01

Many assays for biological sample processing and diagnostics are not suitable for use in settings that lack laboratory resources. We have recently described a simple, self-contained format based on magnetic beads for extracting infectious disease biomarkers from complex biological samples, which significantly reduces the time, expertise, and infrastructure required. This self-contained format has the potential to facilitate the application of other laboratory-based sample processing assays in low-resource settings. The technology is enabled by immiscible fluid barriers, or surface tension valves, which stably separate adjacent processing solutions within millimeter-diameter tubing and simultaneously permit the transit of magnetic beads across the interfaces. In this report, we identify the physical parameters of the materials that maximize fluid stability and bead transport and minimize solution carryover. We found that fluid stability is maximized with ≤0.8 mm i.d. tubing, valve fluids of similar density to the adjacent solutions, and tubing with ≤20 dyn/cm surface energy. Maximizing bead transport was achieved using ≥2.4 mm i.d. tubing, mineral oil valve fluid, and a mass of 1-3 mg beads. The amount of solution carryover across a surface tension valve was minimized using ≤0.2 mg of beads, tubing with ≤20 dyn/cm surface energy, and air separators. The most favorable parameter space for valve stability and bead transport was identified by combining our experimental results into a single plot using two dimensionless numbers. A strategy is presented for developing additional self-contained assays based on magnetic beads and surface tension valves for low-resource diagnostic applications. PMID:24403996

Radiative decay engineering 5: metal-enhanced fluorescence and plasmon emission

PubMed Central

Lakowicz, Joseph R.

2009-01-01

Metallic particles and surfaces display diverse and complex optical properties. Examples include the intense colors of noble metal colloids, surface plasmon resonance absorption by thin metal films, and quenching of excited fluorophores near the metal surfaces. Recently, the interactions of fluorophores with metallic particles and surfaces (metals) have been used to obtain increased fluorescence intensities, to develop assays based on fluorescence quenching by gold colloids, and to obtain directional radiation from fluorophores near thin metal films. For metal-enhanced fluorescence it is difficult to predict whether a particular metal structure, such as a colloid, fractal, or continuous surface, will quench or enhance fluorescence. In the present report we suggest how the effects of metals on fluorescence can be explained using a simple concept, based on radiating plasmons (RPs). The underlying physics may be complex but the concept is simple to understand. According to the RP model, the emission or quenching of a fluorophore near the metal can be predicted from the optical properties of the metal structures as calculated from electrodynamics, Mie theory, and/or Maxwell’s equations. For example, according to Mie theory and the size and shape of the particle, the extinction of metal colloids can be due to either absorption or scattering. Incident energy is dissipated by absorption. Far-field radiation is created by scattering. Based on our model small colloids are expected to quench fluorescence because absorption is dominant over scattering. Larger colloids are expected to enhance fluorescence because the scattering component is dominant over absorption. The ability of a metal’s surface to absorb or reflect light is due to wavenumber matching requirements at the metal–sample interface. Wavenumber matching considerations can also be used to predict whether fluorophores at a given distance from a continuous planar surface will be emitted or quenched. These considerations suggest that the so called “lossy surface waves” which quench fluorescence are due to induced electron oscillations which cannot radiate to the far-field because wavevector matching is not possible. We suggest that the energy from the fluorophores thought to be lost by lossy surface waves can be recovered as emission by adjustment of the sample to allow wavevector matching. The RP model provides a rational approach for designing fluorophore–metal configurations with the desired emissive properties and a basis for nanophotonic fluorophore technology. PMID:15691498

Nanomaterials-based enzyme electrochemical biosensors operating through inhibition for biosensing applications.

PubMed

Kurbanoglu, Sevinc; Ozkan, Sibel A; Merkoçi, Arben

2017-03-15

In recent years great progress has been made in applying nanomaterials to design novel biosensors. Use of nanomaterials offers to biosensing platforms exceptional optical, electronic and magnetic properties. Nanomaterials can increase the surface of the transducing area of the sensors that in turn bring an increase in catalytic behaviors. They have large surface-to-volume ratio, controlled morphology and structure that also favor miniaturization, an interesting advantage when the sample volume is a critical issue. Biosensors have great potential for achieving detect-to-protect devices: devices that can be used in detections of pollutants and other treating compounds/analytes (drugs) protecting citizens' life. After a long term focused scientific and financial efforts/supports biosensors are expected now to fulfill their promise such as being able to perform sampling and analysis of complex samples with interest for clinical or environment fields. Among all types of biosensors, enzymatic biosensors, the most explored biosensing devices, have an interesting property, the inherent inhibition phenomena given the enzyme-substrate complex formation. The exploration of such phenomena is making remarkably important their application as research and applied tools in diagnostics. Different inhibition biosensor systems based on nanomaterials modification has been proposed and applied. The role of nanomaterials in inhibition-based biosensors for the analyses of different groups of drugs as well as contaminants such as pesticides, phenolic compounds and others, are discussed in this review. This deep analysis of inhibition-based biosensors that employ nanomaterials will serve researchers as a guideline for further improvements and approaching of these devices to real sample applications so as to reach society needs and such biosensor market demands. Copyright © 2016 Elsevier B.V. All rights reserved.

Predicting Salmonella populations from biological, chemical, and physical indicators in Florida surface waters.

PubMed

McEgan, Rachel; Mootian, Gabriel; Goodridge, Lawrence D; Schaffner, Donald W; Danyluk, Michelle D

2013-07-01

Coliforms, Escherichia coli, and various physicochemical water characteristics have been suggested as indicators of microbial water quality or index organisms for pathogen populations. The relationship between the presence and/or concentration of Salmonella and biological, physical, or chemical indicators in Central Florida surface water samples over 12 consecutive months was explored. Samples were taken monthly for 12 months from 18 locations throughout Central Florida (n = 202). Air and water temperature, pH, oxidation-reduction potential (ORP), turbidity, and conductivity were measured. Weather data were obtained from nearby weather stations. Aerobic plate counts and most probable numbers (MPN) for Salmonella, E. coli, and coliforms were performed. Weak linear relationships existed between biological indicators (E. coli/coliforms) and Salmonella levels (R(2) < 0.1) and between physicochemical indicators and Salmonella levels (R(2) < 0.1). The average rainfall (previous day, week, and month) before sampling did not correlate well with bacterial levels. Logistic regression analysis showed that E. coli concentration can predict the probability of enumerating selected Salmonella levels. The lack of good correlations between biological indicators and Salmonella levels and between physicochemical indicators and Salmonella levels shows that the relationship between pathogens and indicators is complex. However, Escherichia coli provides a reasonable way to predict Salmonella levels in Central Florida surface water through logistic regression.

Predicting Salmonella Populations from Biological, Chemical, and Physical Indicators in Florida Surface Waters

PubMed Central

McEgan, Rachel; Mootian, Gabriel; Goodridge, Lawrence D.; Schaffner, Donald W.

2013-01-01

Coliforms, Escherichia coli, and various physicochemical water characteristics have been suggested as indicators of microbial water quality or index organisms for pathogen populations. The relationship between the presence and/or concentration of Salmonella and biological, physical, or chemical indicators in Central Florida surface water samples over 12 consecutive months was explored. Samples were taken monthly for 12 months from 18 locations throughout Central Florida (n = 202). Air and water temperature, pH, oxidation-reduction potential (ORP), turbidity, and conductivity were measured. Weather data were obtained from nearby weather stations. Aerobic plate counts and most probable numbers (MPN) for Salmonella, E. coli, and coliforms were performed. Weak linear relationships existed between biological indicators (E. coli/coliforms) and Salmonella levels (R2 < 0.1) and between physicochemical indicators and Salmonella levels (R2 < 0.1). The average rainfall (previous day, week, and month) before sampling did not correlate well with bacterial levels. Logistic regression analysis showed that E. coli concentration can predict the probability of enumerating selected Salmonella levels. The lack of good correlations between biological indicators and Salmonella levels and between physicochemical indicators and Salmonella levels shows that the relationship between pathogens and indicators is complex. However, Escherichia coli provides a reasonable way to predict Salmonella levels in Central Florida surface water through logistic regression. PMID:23624476

Theory and Application of Photoelectron Diffraction for Complex Oxide Systems

NASA Astrophysics Data System (ADS)

Chassé, Angelika; Chassé, Thomas

2018-06-01

X-ray photoelectron diffraction (XPD) has been used to investigate film structures and local sites of surface and dopant atoms in complex oxide materials. We have performed angular-resolved measurements of intensity distribution curves (ADCs) and patterns (ADPs) of elemental core level intensities from binary to quaternary mixed oxide samples and compared them to multiple-scattering cluster (MSC) calculations in order to derive information on structural models and related parameters. MSC calculations permitted to describe both bulk diffraction features of binary oxide MnO(001) and the thickness-dependence of the tetragonal distortion of epitaxial MnO films on Ag(001). XPD was further used to investigate the surface termination of perovskite SrTiO3 and BaTiO3 substrates in order to evaluate influence of different ex situ and in situ preparation procedures on the surface layers, which are crucial for quality of following film growth. Despite the similarity of local environments of Sr (Ba) and Ti atoms in the perovskite film structure an angular region in the ADCs was identified as a fingerprint with the help of MSC simulations which provided clear conclusions on the perovskite oxide surfaces. Dopant sites in quaternary perovskite manganites La1-xCaxMnO3, La1-xSrxMnO3, and La1-xCexMnO3 were studied with polar angle scans of the photoemission intensities of host and dopant atoms. Both direct comparison of experimental ADCs and to the simulations within MSC models confirm the occupation of A sites by the dopants and the structural quality of the complex oxide films.

Automatic system for 3D reconstruction of the chick eye based on digital photographs.

PubMed

Wong, Alexander; Genest, Reno; Chandrashekar, Naveen; Choh, Vivian; Irving, Elizabeth L

2012-01-01

The geometry of anatomical specimens is very complex and accurate 3D reconstruction is important for morphological studies, finite element analysis (FEA) and rapid prototyping. Although magnetic resonance imaging, computed tomography and laser scanners can be used for reconstructing biological structures, the cost of the equipment is fairly high and specialised technicians are required to operate the equipment, making such approaches limiting in terms of accessibility. In this paper, a novel automatic system for 3D surface reconstruction of the chick eye from digital photographs of a serially sectioned specimen is presented as a potential cost-effective and practical alternative. The system is designed to allow for automatic detection of the external surface of the chick eye. Automatic alignment of the photographs is performed using a combination of coloured markers and an algorithm based on complex phase order likelihood that is robust to noise and illumination variations. Automatic segmentation of the external boundaries of the eye from the aligned photographs is performed using a novel level-set segmentation approach based on a complex phase order energy functional. The extracted boundaries are sampled to construct a 3D point cloud, and a combination of Delaunay triangulation and subdivision surfaces is employed to construct the final triangular mesh. Experimental results using digital photographs of the chick eye show that the proposed system is capable of producing accurate 3D reconstructions of the external surface of the eye. The 3D model geometry is similar to a real chick eye and could be used for morphological studies and FEA.

Procedure for measuring simultaneously the solar and visible properties of glazing with complex internal or external structures.

PubMed

Gentle, A R; Smith, G B

2014-10-20

Accurate solar and visual transmittances of materials in which surfaces or internal structures are complex are often not easily amenable to standard procedures with laboratory-based spectrophotometers and integrating spheres. Localized "hot spots" of intensity are common in such materials, so data on small samples is unreliable. A novel device and simple protocols have been developed and undergone validation testing. Simultaneous solar and visible transmittance and reflectance data have been acquired for skylight components and multilayer polycarbonate roof panels. The pyranometer and lux sensor setups also directly yield "light coolness" in lumens/watt. Sample areas must be large, and, although mainly in sheet form, some testing has been done on curved panels. The instrument, its operation, and the simple calculations used are described. Results on a subset of diffuse and partially diffuse materials with no hot spots have been cross checked using 150 mm integrating spheres with a spectrophotometer and the Air Mass 1.5 spectrum. Indications are that results are as good or better than with such spheres for transmittance, but reflectance techniques need refinement for some sample types.

Movie denoising by average of warped lines.

PubMed

Bertalmío, Marcelo; Caselles, Vicent; Pardo, Alvaro

2007-09-01

Here, we present an efficient method for movie denoising that does not require any motion estimation. The method is based on the well-known fact that averaging several realizations of a random variable reduces the variance. For each pixel to be denoised, we look for close similar samples along the level surface passing through it. With these similar samples, we estimate the denoised pixel. The method to find close similar samples is done via warping lines in spatiotemporal neighborhoods. For that end, we present an algorithm based on a method for epipolar line matching in stereo pairs which has per-line complexity O (N), where N is the number of columns in the image. In this way, when applied to the image sequence, our algorithm is computationally efficient, having a complexity of the order of the total number of pixels. Furthermore, we show that the presented method is unsupervised and is adapted to denoise image sequences with an additive white noise while respecting the visual details on the movie frames. We have also experimented with other types of noise with satisfactory results.

X-ray fluorescence microscopy artefacts in elemental maps of topologically complex samples: Analytical observations, simulation and a map correction method

NASA Astrophysics Data System (ADS)

Billè, Fulvio; Kourousias, George; Luchinat, Enrico; Kiskinova, Maya; Gianoncelli, Alessandra

2016-08-01

XRF spectroscopy is among the most widely used non-destructive techniques for elemental analysis. Despite the known angular dependence of X-ray fluorescence (XRF), topological artefacts remain an unresolved issue when using X-ray micro- or nano-probes. In this work we investigate the origin of the artefacts in XRF imaging of topologically complex samples, which are unresolved problems in studies of organic matter due to the limited travel distances of low energy XRF emission from the light elements. In particular we mapped Human Embryonic Kidney (HEK293T) cells. The exemplary results with biological samples, obtained with a soft X-ray scanning microscope installed at a synchrotron facility were used for testing a mathematical model based on detector response simulations, and for proposing an artefact correction method based on directional derivatives. Despite the peculiar and specific application, the methodology can be easily extended to hard X-rays and to set-ups with multi-array detector systems when the dimensions of surface reliefs are in the order of the probing beam size.

Method and Apparatus for Detecting and Quantifying Bacterial Spores on a Surface

NASA Technical Reports Server (NTRS)

Ponce, Adrian (Inventor)

2017-01-01

A method and an apparatus for detecting and quantifying bacterial spores on a surface. In accordance with the method: a matrix including lanthanide ions is provided on the surface containing the bacterial spores; functionalized aromatic molecules are released from the bacterial spores on the surface; a complex of the lanthanide ion and the aromatic molecule is formed on the surface; the complex of the lanthanide ion and the aromatic molecule is excited to generate a characteristic luminescence of the complex on the surface; and the bacterial spores exhibiting the luminescence of the complex on the surface are detected and quantified.

Method and apparatus for detecting and quantifying bacterial spores on a surface

NASA Technical Reports Server (NTRS)

Ponce, Adrian (Inventor)

2009-01-01

A method and an apparatus for detecting and quantifying bacterial spores on a surface. In accordance with the method: a matrix including lanthanide ions is provided on the surface containing the bacterial spores; functionalized aromatic molecules are released from the bacterial spores on the surface; a complex of the lanthanide ion and the aromatic molecule is formed on the surface; the complex of the lanthanide ion and the aromatic molecule is excited to generate a characteristic luminescence of the complex on the surface; and the bacterial spores exhibiting the luminescence of the complex on the surface are detected and quantified.

The diversity and distribution of fungi on residential surfaces.

PubMed

Adams, Rachel I; Miletto, Marzia; Taylor, John W; Bruns, Thomas D

2013-01-01

The predominant hypothesis regarding the composition of microbial assemblages in indoor environments is that fungal assemblages are structured by outdoor air with a moderate contribution by surface growth, whereas indoor bacterial assemblages represent a mixture of bacteria entered from outdoor air, shed by building inhabitants, and grown on surfaces. To test the fungal aspect of this hypothesis, we sampled fungi from three surface types likely to support growth and therefore possible contributors of fungi to indoor air: drains in kitchens and bathrooms, sills beneath condensation-prone windows, and skin of human inhabitants. Sampling was done in replicated units of a university-housing complex without reported mold problems, and sequences were analyzed using both QIIME and the new UPARSE approach to OTU-binning, to the same result. Surfaces demonstrated a mycological profile similar to that of outdoor air from the same locality, and assemblages clustered by surface type. "Weedy" genera typical of indoor air, such as Cladosporium and Cryptococcus, were abundant on sills, as were a diverse set of fungi of likely outdoor origin. Drains supported more depauperate assemblages than the other surfaces and contained thermotolerant genera such as Exophiala, Candida, and Fusarium. Most surprising was the composition detected on residents' foreheads. In addition to harboring Malassezia, a known human commensal, skin also possessed a surprising richness of non-resident fungi, including plant pathogens such as ergot (Claviceps purperea). Overall, fungal richness across indoor surfaces was high, but based on known autecologies, most of these fungi were unlikely to be growing on surfaces. We conclude that while some endogenous fungal growth on typical household surfaces does occur, particularly on drains and skin, all residential surfaces appear - to varying degrees - to be passive collectors of airborne fungi of putative outdoor origin, a view of the origins of the indoor microbiome quite different from bacteria.

Roughness sensor based on a compact optoelectronic emitter-receiver modules

NASA Astrophysics Data System (ADS)

Will, Matthias; Brodersen, Olaf; Steinke, Arndt

2012-04-01

In construction and manufacturing the surface roughness and their control plays a major role. The mechanical test probes are used in many applications, because the advantage of the higher resolution of optical systems often plays no role. But in all cases the measurement systems were uses outside of fabrication processes due to the complex and expensive equipment. To overcome these we developed a roughness sensor suitable for an automated control of machined surfaces. The sensor is able to handle high throughput and parallel systems is due to the low cost available. Our solution is compact stand-alone sensors that can be simple integrated in existing systems like machine tools or transport systems. The sensor is based on a diode laser, focusing optics and a special silicon photo diode array in a stable housing. The single-mode VCSEL at 670 nm emission wavelength is focused on the surface of the sample at distance of 5mm. The light was reflected from the test surface and detected with an 8-channel photodiode array. The position of the main reflex allows an optimization of the sensor distance to the surface. During the movement of the sample with a known velocity roughness depended signals over time were recorded at 8 cannels. This allows a detection of the angular distribution of the scattered light in combination of position dependent refection. It was shown here that we be able to achieve resolution below the spot diameter (30μm FWHM). We verify the sensor capabilities for real world applications on drilled samples with typical roughness variations in micro meter range.

Sampling the stratum corneum for toxic chemicals.

PubMed

Coman, Garrett; Blickenstaff, Nicholas R; Blattner, Collin M; Andersen, Rosa; Maibach, Howard I

2014-01-01

Dermal exposure is an important pathway in environmental health. Exposure comes from contaminated water, soil, treated surfaces, textiles, aerosolized chemicals, and agricultural products. It can occur in homes, schools, play areas, and work settings in the form of industrial sources, consumer products, or hazardous wastes. Dermal exposure is most likely to occur through contact with liquids, water, soil, sediment, and contaminated surfaces. The ability to detect and measure exposure to toxic materials on the skin is an important environmental health issue. The stratum corneum is the skin's first and principal barrier layer of protection from the outside world. It has a complex structure that can effectively protect against a wide variety of physical, chemical, and biological contaminants. However, there are a variety of chemical agents that can damage the stratum corneum and the underlying epidermis, dermis and subcutis, and/or enter systemic circulation through the skin. There are numerous ways of sampling the stratum corneum for these toxic materials like abrasion techniques, biopsy, suction blistering, imaging, washing, wipe sampling, tape stripping, and spot testing. Selecting a method likely depends on the particular needs of the situation. Hence, there is a need to review practical considerations for their use in sampling the stratum corneum for toxins.

Revisiting the iron pools in cucumber roots: identification and localization.

PubMed

Kovács, Krisztina; Pechoušek, Jiří; Machala, Libor; Zbořil, Radek; Klencsár, Zoltán; Solti, Ádám; Tóth, Brigitta; Müller, Brigitta; Pham, Hong Diep; Kristóf, Zoltán; Fodor, Ferenc

2016-07-01

Fe deficiency responses in Strategy I causes a shift from the formation of partially removable hydrous ferric oxide on the root surface to the accumulation of Fe-citrate in the xylem. Iron may accumulate in various chemical forms during its uptake and assimilation in roots. The permanent and transient Fe microenvironments formed during these processes in cucumber which takes up Fe in a reduction based process (Strategy I) have been investigated. The identification of Fe microenvironments was carried out with (57)Fe Mössbauer spectroscopy and immunoblotting, whereas reductive washing and high-resolution microscopy was applied for the localization. In plants supplied with (57)Fe(III)-citrate, a transient presence of Fe-carboxylates in removable forms and the accumulation of partly removable, amorphous hydrous ferric oxide/hydroxyde have been identified in the apoplast and on the root surface, respectively. The latter may at least partly be the consequence of bacterial activity at the root surface. Ferritin accumulation did not occur at optimal Fe supply. Under Fe deficiency, highly soluble ferrous hexaaqua complex is transiently formed along with the accumulation of Fe-carboxylates, likely Fe-citrate. As (57)Fe-citrate is non-removable from the root samples of Fe deficient plants, the major site of accumulation is suggested to be the root xylem. Reductive washing results in another ferrous microenvironment remaining in the root apoplast, the Fe(II)-bipyridyl complex, which accounts for ~30 % of the total Fe content of the root samples treated for 10 min and rinsed with CaSO4 solution. When (57)Fe(III)-EDTA or (57)Fe(III)-EDDHA was applied as Fe-source higher soluble ferrous Fe accumulation was accompanied by a lower total Fe content, confirming that chelates are more efficient in maintaining soluble Fe in the medium while less stable natural complexes as Fe-citrate may perform better in Fe accumulation.

Two-Step Resonance-Enhanced Desorption Laser Mass Spectrometry for In Situ Analysis of Organic-Rich Environments

NASA Technical Reports Server (NTRS)

Getty, S. A.; Grubisic, A.; Uckert, K.; Li, X.; Cornish, T.; Cook, J. E.; Brinckerhoff, W. B.

2016-01-01

A wide diversity of planetary surfaces in the solar system represent high priority targets for in situ compositional and contextual analysis as part of future missions. The planned mission portfolio will inform our knowledge of the chemistry at play on Mars, icy moons, comets, and primitive asteroids, which can lead to advances in our understanding of the interplay between inorganic and organic building blocks that led to the evolution of habitable environments on Earth and beyond. In many of these environments, the presence of water or aqueously altered mineralogy is an important indicator of habitable environments that are present or may have been present in the past. As a result, the search for complex organic chemistry that may imply the presence of a feedstock, if not an inventory of biosignatures, is naturally aligned with targeted analyses of water-rich surface materials. Here we describe the two-step laser mass spectrometry (L2MS) analytical technique that has seen broad application in the study of organics in meteoritic samples, now demonstrated to be compatible with an in situ investigation with technique improvements to target high priority planetary environments as part of a future scientific payload. An ultraviolet (UV) pulsed laser is used in previous and current embodiments of laser desorption/ionization mass spectrometry (LDMS) to produce ionized species traceable to the mineral and organic composition of a planetary surface sample. L2MS, an advanced technique in laser mass spectrometry, is selective to the aromatic organic fraction of a complex sample, which can provide additional sensitivity and confidence in the detection of specific compound structures. Use of a compact two-step laser mass spectrometer prototype has been previously reported to provide specificity to key aromatic species, such as PAHs, nucleobases, and certain amino acids. Recent improvements in this technique have focused on the interaction between the mineral matrix and the organic analyte. The majority of planetary targets of astrobiological interest are characterized by the presence of water or hydrated mineral phases. Water signatures can indicate a history of available liquid water that may have played an important role in the chemical environment of these planetary surfaces and subsurfaces. The studies we report here investigate the influence of water content on the detectability of organics by L2MS in planetary analog samples.

The hydroxyl-functionalized magnetic particles for purification of glycan-binding proteins.

PubMed

Sun, Xiuxuan; Yang, Ganglong; Sun, Shisheng; Quan, Rui; Dai, Weiwei; Li, Bin; Chen, Chao; Li, Zheng

2009-12-01

Glycan-protein interactions play important biological roles in biological processes. Although there are some methods such as glycan arrays that may elucidate recognition events between carbohydrates and protein as well as screen the important glycan-binding proteins, there is a lack of simple effectively separate method to purify them from complex samples. In proteomics studies, fractionation of samples can help to reduce their complexity and to enrich specific classes of proteins for subsequent downstream analyses. Herein, a rapid simple method for purification of glycan-binding proteins from proteomic samples was developed using hydroxyl-coated magnetic particles coupled with underivatized carbohydrate. Firstly, the epoxy-coated magnetic particles were further hydroxyl functionalized with 4-hydroxybenzhydrazide, then the carbohydrates were efficiently immobilized on hydroxyl functionalized surface of magnetic particles by formation of glycosidic bond with the hemiacetal group at the reducing end of the suitable carbohydrates via condensation. All conditions of this method were optimized. The magnetic particle-carbohydrate conjugates were used to purify the glycan-binding proteins from human serum. The fractionated glycan-binding protein population was displayed by SDS-PAGE. The result showed that the amount of 1 mg magnetic particles coupled with mannose in acetate buffer (pH 5.4) was 10 micromol. The fractionated glycan-binding protein population in human serum could be eluted from the magnetic particle-mannose conjugates by 0.1% SDS. The methodology could work together with the glycan microarrays for screening and purification of the important GBPs from complex protein samples.

Ultrahigh vacuum and low-temperature cleaning of oxide surfaces using a low-concentration ozone beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratt, A.; Department of Physics, University of York, Heslington, York YO10 5DD; Graziosi, P.

We present a novel method of delivering a low-concentration (<15%) ozone beam to an ultra-high vacuum environment for the purpose of cleaning and dosing experimental samples through oxidation processing. The system described is safe, low-cost, and practical and overcomes the limitations of ozone transport in the molecular flow environment of high or ultrahigh vacuum whilst circumventing the use of pure ozone gas which is potentially highly explosive. The effectiveness of this method in removing surface contamination is demonstrated through comparison of high-temperature annealing of a simple oxide (MgO) in ozone and oxygen environments as monitored using quadrupole mass spectroscopy andmore » Auger electron spectroscopy. Additionally, we demonstrate the potential of ozone for obtaining clean complex oxide surfaces without the need for high-temperature annealing which may significantly alter surface structure.« less

Groundwater–surface water mixing shifts ecological assembly processes and stimulates organic carbon turnover

PubMed Central

Stegen, James C.; Fredrickson, James K.; Wilkins, Michael J.; Konopka, Allan E.; Nelson, William C.; Arntzen, Evan V.; Chrisler, William B.; Chu, Rosalie K.; Danczak, Robert E.; Fansler, Sarah J.; Kennedy, David W.; Resch, Charles T.; Tfaily, Malak

2016-01-01

Environmental transitions often result in resource mixtures that overcome limitations to microbial metabolism, resulting in biogeochemical hotspots and moments. Riverine systems, where groundwater mixes with surface water (the hyporheic zone), are spatially complex and temporally dynamic, making development of predictive models challenging. Spatial and temporal variations in hyporheic zone microbial communities are a key, but understudied, component of riverine biogeochemical function. Here, to investigate the coupling among groundwater–surface water mixing, microbial communities and biogeochemistry, we apply ecological theory, aqueous biogeochemistry, DNA sequencing and ultra-high-resolution organic carbon profiling to field samples collected across times and locations representing a broad range of mixing conditions. Our results indicate that groundwater–surface water mixing in the hyporheic zone stimulates heterotrophic respiration, alters organic carbon composition, causes ecological processes to shift from stochastic to deterministic and is associated with elevated abundances of microbial taxa that may degrade a broad suite of organic compounds. PMID:27052662

Groundwater-surface water mixing shifts ecological assembly processes and stimulates organic carbon turnover.

PubMed

Stegen, James C; Fredrickson, James K; Wilkins, Michael J; Konopka, Allan E; Nelson, William C; Arntzen, Evan V; Chrisler, William B; Chu, Rosalie K; Danczak, Robert E; Fansler, Sarah J; Kennedy, David W; Resch, Charles T; Tfaily, Malak

2016-04-07

Environmental transitions often result in resource mixtures that overcome limitations to microbial metabolism, resulting in biogeochemical hotspots and moments. Riverine systems, where groundwater mixes with surface water (the hyporheic zone), are spatially complex and temporally dynamic, making development of predictive models challenging. Spatial and temporal variations in hyporheic zone microbial communities are a key, but understudied, component of riverine biogeochemical function. Here, to investigate the coupling among groundwater-surface water mixing, microbial communities and biogeochemistry, we apply ecological theory, aqueous biogeochemistry, DNA sequencing and ultra-high-resolution organic carbon profiling to field samples collected across times and locations representing a broad range of mixing conditions. Our results indicate that groundwater-surface water mixing in the hyporheic zone stimulates heterotrophic respiration, alters organic carbon composition, causes ecological processes to shift from stochastic to deterministic and is associated with elevated abundances of microbial taxa that may degrade a broad suite of organic compounds.

The digital step edge

NASA Technical Reports Server (NTRS)

Haralick, R. M.

1982-01-01

The facet model was used to accomplish step edge detection. The essence of the facet model is that any analysis made on the basis of the pixel values in some neighborhood has its final authoritative interpretation relative to the underlying grey tone intensity surface of which the neighborhood pixel values are observed noisy samples. Pixels which are part of regions have simple grey tone intensity surfaces over their areas. Pixels which have an edge in them have complex grey tone intensity surfaces over their areas. Specially, an edge moves through a pixel only if there is some point in the pixel's area having a zero crossing of the second directional derivative taken in the direction of a non-zero gradient at the pixel's center. To determine whether or not a pixel should be marked as a step edge pixel, its underlying grey tone intensity surface was estimated on the basis of the pixels in its neighborhood.

A Combined XRD/XRF Instrument for Lunar Resource Assessment

NASA Technical Reports Server (NTRS)

Vaniman, D. T.; Bish, D. L.; Chipera, S. J.; Blacic, J. D.

1992-01-01

Robotic surface missions to the Moon should be capable of measuring mineral as well as chemical abundances in regolith samples. Although much is already known about the lunar regolith, our data are far from comprehensive. Most of the regolith samples returned to Earth for analysis had lost the upper surface, or it was intermixed with deeper regolith. This upper surface is the part of the regolith most recently exposed to the solar wind; as such it will be important to resource assessment. In addition, it may be far easier to mine and process the uppermost few centimeters of regolith over a broad area than to engage in deep excavation of a smaller area. The most direct means of analyzing the regolith surface will be by studies in situ. In addition, the analysis of the impact-origin regolith surfaces, the Fe-rich glasses of mare pyroclastic deposits, are of resource interest, but are inadequately known; none of the extensive surface-exposed pyroclastic deposits of the Moon have been systematically sampled, although we know something about such deposits from the Apollo 17 site. Because of the potential importance of pyroclastic deposits, methods to quantify glass as well as mineral abundances will be important to resource evaluation. Combined x ray diffraction (XRD) and x ray fluorescence (XRF) analysis will address many resource characterization problems on the Moon. XRF methods are valuable for obtaining full major-element abundances with high precision. Such data, collected in parallel with quantitative mineralogy, permit unambiguous determination of both mineral and chemical abundances where concentrations are high enough to be of resource grade. Collection of both XRD and XRF data from a single sample provides simultaneous chemical and mineralogic information. These data can be used to correlate quantitative chemistry and mineralogy as a set of simultaneous linear equations, the solution of which can lead to full characterization of the sample. The use of Rietveld methods for XRD data analysis can provide a powerful tool for quantitative mineralogy and for obtaining crystallographic data on complex minerals.

Preservation of organic molecules at Mars' near-surface

NASA Astrophysics Data System (ADS)

Freissinet, Caroline

2016-07-01

One of the biggest concerns for the in situ detection of organics on extraterrestrial environment is the preservation potential of the molecules at the surface and subsurface given the harsh radiation conditions and oxidants they are exposed to. The Mars Science Laboratory (MSL) search for hydrocarbons is designed to understand taphonomic windows of organic preservation in the Mars' near-surface. The Sample Analysis at Mars (SAM) instrument on the MSL Curiosity rover discovered chlorohydrocarbon indigenous to a mudstone drilled sample, Cumberland (CB). The discovery of chlorohydrocarbons in the martian surface means that reduced material with covalent bonds has survived despite the severe degrading conditions. However, the precursors of the chlorohydrocarbons detected by pyrolysis at CB remain unknown. Organic compounds in this ancient sedimentary rock on Mars could include polycyclic aromatic hydrocarbons and refractory organic material, either formed on Mars from igneous, hydrothermal, atmospheric, or biological processes or, alternatively, delivered directly to Mars via meteorites, comets, or interplanetary dust particles. It has been postulated that organic compounds in near-surface rocks may undergo successive oxidation reactions that eventually form metastable benzenecarboxylates, including phthalic and mellitic acids. These benzenecarboxylates are good candidates as the precursors of the chlorohydrocarbons detected in SAM pyrolysis at CB. Indeed, recently, SAM performed a derivatization experiments on a CB sample, using the residual vapor of N-methyl-N-tertbutylsilyltrifluoroacetamide (MTBSTFA) leaking into the system. The preliminary interpretations are compatible with the presence of benzocarboxylates, coincidently with long chain carboxylic acids and alcohols. The analysis of this interesting data set to identify these derivatization products, as well as future SAM measurements on Mt Sharp, should shed additional light on the chemical nature and the origin of the organic matter in near-surface materials in Gale Crater. The future Mars Organic Molecule Organizer (MOMA) instrument onboard ExoMars 2018 should improve the detection of organic molecules in Mars subsurface in two ways. Firstly, by drilling a sample down to 2 meters, it will access more preserved area against deleterious radiations. Secondly, MOMA derivatization using dimethylformamide dimethylacetal (DMF-DMA) as a reagent is designed to assess the potential enantiomeric excess of complex chiral molecules of interest, such as amino acids, sugars or carboxylic acids, to aid at the determination of their biotic or abiotic origin. Gale crater had recently been defined as an ancient habitable environment, due to the simultaneous presence of liquid water, energy source and a mild range of temperature, pH, pressure and salinity. The presence of organic molecules opens up habitability to another level, where the building blocks of life were available for more complex system to evolve. This view into ancient Mars begins to provide a context for habitable environments and is a first step toward understanding the presence and diversity of possible prebiotic or biotic molecular signatures. Moreover, it helps mapping out potential windows of preservation for chemically reduced organic compounds, which will help on sample and site selection on all bodies of the solar system.

Detection of Total Phenol in Green and Black Teas by Flow Injection System and Unmodified Screen Printed Electrode

PubMed Central

de Mattos, Ivanildo Luiz; Zagal, José Heraclito

2010-01-01

A flow injection system using an unmodified gold screen-printed electrode was employed for total phenol determination in black and green teas. In order to avoid passivation of the electrode surface due to the redox reaction, preoxidation of the sample was realized by hexacyanoferrate(III) followed by addition of an EDTA solution. The complex formed in the presence of EDTA minimizes or avoids polymerization of the oxidized phenols. The previously filtered tea sample and hexacyanoferrate(III) reagent were introduced simultaneously into two-carrier streams producing two reproducible zones. At confluence point, the pre-oxidation of the phenolic compounds occurs while this zone flows through the coiled reactor and receives the EDTA solution before phenol detection. The consumption of ferricyanide was monitorized at 360 mV versus Ag/AgCl and reflected the total amount of phenolic compounds present in the sample. Results were reported as gallic acid equivalents (GAEs). The proposed system is robust, versatile, environmentally-friendly (since the reactive is used only in the presence of the sample), and allows the analysis of about 35–40 samples per hour with detection limit = 1 mg/L without the necessity for surface cleaning after each measurement. Precise results are in agreement with those obtained by the Folin-Ciocalteu method. PMID:21461407

Reticulate Structures Reveal the Significance of Cell Motility in the Morphogenesis of Complex Microbial Structures in Pavilion Lake, British Columbia

NASA Astrophysics Data System (ADS)

Shepard, R.

2008-12-01

Microbial communities are architects of incredibly complex and diverse morphological structures. Each morphology is a snapshot that reflects the complex interactions within the microbial community and between the community and its environment. Characterizing morphology as an emergent property of microbial communities is thus relevant to understanding the evolution of multicellularity and complexity in developmental systems, to the identification of biosignatures, and to furthering our understanding of modern and ancient microbial ecology. Recently discovered cyanobacterial mats in Pavilion Lake, British Columbia construct unusual complex architecture on the scale of decimeters that incorporates significant void space. Fundamental mesoscale morphological elements include terraces, arches, bridges, depressions, domes, and pillars. The mats themselves also exhibit several microscale morphologies, with reticulate structures being the dominant example. The reticulate structures exhibit a diverse spectrum of morphologies with endmembers characterized by either angular or curvilinear ridges. In laboratory studies, aggregation into reticulate structures occurs as a result of the random gliding and colliding among motile cyanobacterial filaments. Likewise, when Pavilion reticulate mats were sampled and brought to the surface, cyanobacteria invariably migrated out of the mat onto surrounding surfaces. Filaments were observed to move rapidly in clumps, preferentially following paths of previous filaments. The migrating filaments organized into new angular and ropey reticulate biofilms within hours of sampling, demonstrating that cell motility is responsible for the reticulate patterns. Because the morphogenesis of reticulate structures can be linked to motility behaviors of filamentous cyanobacteria, the Willow Point mats provide a unique natural laboratory in which to elucidate the connections between a specific microbial behavior and the construction of complex microbial community morphology. To this end, we identified and characterized fundamental building blocks of the mesoscale morphologies, including bridges, anchors, and curved edges. These morphological building blocks were compared with the suite of motility behaviors and patterns observed in reticulate morphogenesis. Results of this comparison suggest that cyanobacterial motility plays a significant and often dominant role in the morphogenesis of the entire suite of morphologies observed in the microbial mats of Pavilion Lake.

Uptake of elements from seawater by ferromanganese crusts: Solid-phase associations and seawater speciation

USGS Publications Warehouse

Koschinsky, A.; Hein, J.R.

2003-01-01

Marine Fe-Mn oxyhydroxide crusts form by precipitation of dissolved components from seawater. Three hydrogenetic crust samples (one phosphatized) and two hydrothermal Mn-oxide samples were subjected to a sequential-leaching procedure in order to determine the host phases of 40 elements. Those host-phase associations are discussed with respect to element speciation in seawater. The partitioning of elements between the two major phases, Mn oxide and Fe oxyhydroxide, can in a first-order approximation be explained by a simple sorption model related to the inorganic speciation of the elements in seawater, as has been proposed in earlier models. Free and weakly complexed cations, such as alkali and alkaline earth metals, Mn, Co, Ni, Zn, T1(I), and partly Y, are sorbed preferentially on the negatively charged surface of the MnO2 in hydrogenetic crusts. The driving force is a strong coulombic interaction. All neutral or negatively charged chloro (Cd, Hg, T1), carbonate (Cu, Y, Pb, and U), and hydroxide (Be, Sc, Ti, Fe, Zr, Nb, In, Sn, Sb, Te, Hf, Ta, Bi, Th, and T1(III)) complexes and oxyanions (V, Cr, As, Se, Mo, and W) bind to the slightly positively charged surface of the amorphous FeOOH phase. While coulombic interaction can explain the sorption of the negatively charged species, the binding of neutral species is based on specific chemical interaction. Organic complexation of elements in deep-ocean water seems to be at most of minor importance. Surface oxidation can explain some strong metal associations, e.g. of Co and T1 with the MnO2 and Te with the FeOOH. Sorption reactions initially driven by coulombic forces are often followed by the formation of specific bonds between the adsorbate and the atoms of the oxide surface. Differences in the associations of some metals between the non-phosphatized and phosphatized hydrogenetic crusts and between the hydrogenetic and the hydrothermal samples reflect the different physico-chemical environments of formation and speciations in oxic seawater vs. less-oxic fluids, especially for the redox-sensitive metals such as Mo and V. These environmental-related differences indicate that the methodology of chemical speciation used here in combination with spectroscopic methods may allow for the detection of changes in paleoceanographic conditions recorded during the several tens of millions of years of crust growth. ?? 2003 Elsevier Science B.V. All rights reserved.

The sequential injection system with adsorptive stripping voltammetric detection.

PubMed

Kubiak, W W; Latonen, R M; Ivaska, A

2001-03-16

Two sequential injection systems have been developed for adsorptive stripping voltammetric measurement. One is for substances adsorbing at mercury, e.g. riboflavin. In this case, a simple arrangement with only sample aspiration is needed. Reproducibility was 3% and detection limit 0.07 muM. The measuring system was applied to determination of riboflavin in vitamin pills and to study the photodegradation process of riboflavin in aqueous solutions. In the second case, metal ions were determined. They have to be complexed before deposition on the mercury surface. Thus, both the sample and the ligand have to be aspirated in the system. In this case, the reproducibility was approximately 6% and the detection limit <0.1 ppm for cadmium, lead and copper when complexation with oxine was used. Dimethylglyoxime was used in determination of nickel and cobalt and nioxime complexes were used in determination of nickel and copper. With these complexing agents, the reproducibility was the same as with oxine, but the metals could be determined at concentrations lower than 0.01 ppm. Application of two ligands in a SIA system with AdSV detection was also studied. Simultaneous determination of copper, lead, cadmium and cobalt was possible by using oxine and dimethylglyoxime. Copper and nickel were simultaneously determined by using dimethylglyoxime and nioxime.

Colorimetric detection of catalytic reactivity of nanoparticles in complex matrices.

PubMed

Corredor, Charlie; Borysiak, Mark D; Wolfer, Jay; Westerhoff, Paul; Posner, Jonathan D

2015-03-17

There is a need for new methodologies to quickly assess the presence and reactivity of nanoparticles (NPs) in commercial, environmental, and biological samples since current detection techniques require expensive and complex analytical instrumentation. Here, we investigate a simple and portable colorimetric detection assay that assesses the surface reactivity of NPs, which can be used to detect the presence of NPs, in complex matrices (e.g., environmental waters, serum, urine, and in dissolved organic matter) at as low as part per billion (ppb) or ng/mL concentration levels. Surface redox reactivity is a key emerging property related to potential toxicity of NPs with living cells, and is used in our assays as a key surrogate for the presence of NPs and a first tier analytical strategy toward assessing NP exposures. We detect a wide range of metal (e.g., Ag and Au) and oxide (e.g., CeO2, SiO2, VO2) NPs with a diameter range of 5 to 400 nm and multiple capping agents (tannic acid (TA), polyvinylpyrrolidone (PVP), branched polyethylenimine (BPEI), polyethylene glycol (PEG)). This method is sufficiently sensitive (ppb levels) to measure concentrations typically used in toxicological studies, and uses inexpensive, commercially available reagents.

Uranium adsorption on weathered schist - Intercomparison of modeling approaches

USGS Publications Warehouse

Payne, T.E.; Davis, J.A.; Ochs, M.; Olin, M.; Tweed, C.J.

2004-01-01

Experimental data for uranium adsorption on a complex weathered rock were simulated by twelve modelling teams from eight countries using surface complexation (SC) models. This intercomparison was part of an international project to evaluate the present capabilities and limitations of SC models in representing sorption by geologic materials. The models were assessed in terms of their predictive ability, data requirements, number of optimised parameters, ability to simulate diverse chemical conditions and transferability to other substrates. A particular aim was to compare the generalised composite (GC) and component additivity (CA) approaches for modelling sorption by complex substrates. Both types of SC models showed a promising capability to simulate sorption data obtained across a range of chemical conditions. However, the models incorporated a wide variety of assumptions, particularly in terms of input parameters such as site densities and surface site types. Furthermore, the methods used to extrapolate the model simulations to different weathered rock samples collected at the same field site tended to be unsatisfactory. The outcome of this modelling exercise provides an overview of the present status of adsorption modelling in the context of radionuclide migration as practised in a number of countries worldwide.

Bacterial biogeographical patterns in a cooking center for hospital foodservice.

PubMed

Stellato, Giuseppina; La Storia, Antonietta; Cirillo, Teresa; Ercolini, Danilo

2015-01-16

Microbial contamination in foodservice environments plays a fundamental role in food quality and safety. In such environments the composition of the microbiota is influenced by the characteristics of the specific surfaces and by food handling and processing and a resident microbiota may be present in each site. In this study, the bacterial biogeographical patterns in a hospital cooking center was studied by 16S rRNA-based culture-independent high-throughput amplicon sequencing in order to provide a comprehensive mapping of the surfaces and tools that come in contact with foods during preparation. Across all area, surface swab-samples from work surfaces of different zones were taken: food pre-processing rooms (dedicated to fish, vegetables, and red and white meat), storage room and kitchen. The microbiota of environmental swabs was very complex, including more than 500 operational taxonomic units (OTUs) with extremely variable relative abundances (0.02-99%) depending on the species. A core microbiota was found that was common to more than 70% of the samples analyzed and that included microbial species that were common across all areas such as Acinetobacter, Chryseobacterium, Moraxellaceae, and Alicyclobacillus, although their abundances were below 10% of the microbiota. Some surfaces were contaminated by high levels of either Pseudomonas, Psychrobacter, Paracoccus, or Kocuria. However, beta diversity analysis showed that, based on the composition of the microbiota, the environmental samples grouped according to the sampling time but not according to the specific area of sampling except for the case of samples from the vegetable pre-processing room that showed a higher level of similarity. The cleaning procedures can have a very strong impact on the spatial distribution of the microbial communities, as the use of the same cleaning tools can be even a possible vector of bacterial diffusion. Most of the microbial taxa found are not those commonly found in food as spoilers or hazardous bacteria, which indicates that food and storage conditions can be very selective in the growth of possible contaminants. Copyright © 2014 Elsevier B.V. All rights reserved.

Effect of Space Radiation Processing on Lunar Soil Surface Chemistry: X-Ray Photoelectron Spectroscopy Studies

NASA Technical Reports Server (NTRS)

Dukes, C.; Loeffler, M.J.; Baragiola, R.; Christoffersen, R.; Keller, J.

2009-01-01

Current understanding of the chemistry and microstructure of the surfaces of lunar soil grains is dominated by a reference frame derived mainly from electron microscopy observations [e.g. 1,2]. These studies have shown that the outermost 10-100 nm of grain surfaces in mature lunar soil finest fractions have been modified by the combined effects of solar wind exposure, surface deposition of vapors and accretion of impact melt products [1,2]. These processes produce surface-correlated nanophase Feo, host grain amorphization, formation of surface patinas and other complex changes [1,2]. What is less well understood is how these changes are reflected directly at the surface, defined as the outermost 1-5 atomic monolayers, a region not easily chemically characterized by TEM. We are currently employing X-ray Photoelectron Spectroscopy (XPS) to study the surface chemistry of lunar soil samples that have been previously studied by TEM. This work includes modification of the grain surfaces by in situ irradiation with ions at solar wind energies to better understand how irradiated surfaces in lunar grains change their chemistry once exposed to ambient conditions on earth.

In situ observation of fluoride-ion-induced hydroxyapatite collagen detachment on bone fracture surfaces by atomic force microscopy

NASA Astrophysics Data System (ADS)

Kindt, J. H.; Thurner, P. J.; Lauer, M. E.; Bosma, B. L.; Schitter, G.; Fantner, G. E.; Izumi, M.; Weaver, J. C.; Morse, D. E.; Hansma, P. K.

2007-04-01

The topography of freshly fractured bovine and human bone surfaces was determined by the use of atomic force microscopy (AFM). Fracture surfaces from both kinds of samples exhibited complex landscapes formed by hydroxyapatite mineral platelets with lateral dimensions ranging from ~90 nm × 60 nm to ~20 nm × 20 nm. Novel AFM techniques were used to study these fracture surfaces during various chemical treatments. Significant topographical changes were observed following exposure to aqueous solutions of ethylenediaminetetraacetic acid (EDTA) or highly concentrated sodium fluoride (NaF). Both treatments resulted in the apparent loss of the hydroxyapatite mineral platelets on a timescale of a few seconds. Collagen fibrils situated beneath the overlying mineral platelets were clearly exposed and could be resolved with high spatial resolution in the acquired AFM images. Time-dependent mass loss experiments revealed that the applied agents (NaF or EDTA) had very different resulting effects. Despite the fact that the two treatments exhibited nearly identical results following examination by AFM, bulk bone samples treated with EDTA exhibited a ~70% mass loss after 72 h, whereas for the NaF-treated samples, the mass loss was only of the order of ~10%. These results support those obtained from previous mechanical testing experiments, suggesting that enhanced formation of superficial fluoroapatite dramatically weakens the protein-hydroxyapatite interfaces. Additionally, we discovered that treatment with aqueous solutions of NaF resulted in the effective extraction of noncollagenous proteins from bone powder.

Molecular recognition on a cavitand-functionalized silicon surface.

PubMed

Biavardi, Elisa; Favazza, Maria; Motta, Alessandro; Fragalà, Ignazio L; Massera, Chiara; Prodi, Luca; Montalti, Marco; Melegari, Monica; Condorelli, Guglielmo G; Dalcanale, Enrico

2009-06-03

A Si(100) surface featuring molecular recognition properties was obtained by covalent functionalization with a tetraphosphonate cavitand (Tiiii), able to complex positively charged species. Tiiii cavitand was grafted onto the Si by photochemical hydrosilylation together with 1-octene as a spatial spectator. The recognition properties of the Si-Tiiii surface were demonstrated through two independent analytical techniques, namely XPS and fluorescence spectroscopy, during the course of reversible complexation-guest exchange-decomplexation cycles with specifically designed ammonium and pyridinium salts. Control experiments employing a Si(100) surface functionalized with a structurally similar, but complexation inactive, tetrathiophosphonate cavitand (TSiiii) demonstrated no recognition events. This provides evidence for the complexation properties of the Si-Tiiii surface, ruling out the possibility of nonspecific interactions between the substrate and the guests. The residual Si-O(-) terminations on the surface replace the guests' original counterions, thus stabilizing the complex ion pairs. These results represent a further step toward the control of self-assembly of complex supramolecular architectures on surfaces.

One-dimensional surface-plasmon gratings for the excitation of intersubband polaritons in suspended membranes

NASA Astrophysics Data System (ADS)

Degl'Innocenti, R.; Zanotto, S.; Tredicucci, A.; Biasiol, G.; Sorba, L.

2011-12-01

We present the observation of the strong light-matter coupling regime between intersubband transitions of semiconductor quantum wells and the plasmonic-like resonances of a one dimensional metallic grating. Polariton spectra have been recorded in transmission employing a suspended membrane sample and are consistent with theoretical calculations. This arrangement, avoiding the complexity of dispersive substrate, is particularly attractive for the development of time-resolved pump-probe experiments.

Surface Relief of Mapping

NASA Astrophysics Data System (ADS)

Costa, Manuel F.; Almeida, Jose B.

1989-02-01

We will describe in this communication a noncont act method of measuring surface profile, it does not require any surface preparation, and it can be used with a very large range of surfaces from highly reflecting to non reflecting ones and as complex as textile surfaces. This method is reasonably immune to dispersion and diffraction, which usually make very difficult the application of non contact profilometry methods to a wide range of materials and situations, namely on quality control systems in industrial production lines. The method is based on the horizontal shift of the bright spot on a horizontal surface when this is illuminated with an oblique beam and moved vertically. in order to make the profilometry the sample is swept by an oblique light beam and the bright spot position is compared with a reference position. The bright spot must be as small as possible, particularly in very irregular surfaces; so the light beam diameter must be as small as possible and the incidence angle must not be too small. The sensivity of a system based on this method will be given, mostly, by the reception optical system.

Dragonfly: Exploring Titan's Surface with a New Frontiers Relocatable Lander

NASA Astrophysics Data System (ADS)

Barnes, Jason W.; Turtle, Elizabeth P.; Trainer, Melissa G.; Lorenz, Ralph

2017-10-01

We proposed to the NASA New Frontiers 4 mission call a lander to assess Titan's prebiotic chemistry, evaluate its habitability, and search for biosignatures on its surface. Titan as an Ocean World is ideal for the study of prebiotic chemical processes and the habitability of an extraterrestrial environment due to its abundant complex carbon-rich chemistry and because both liquid water and liquid hydrocarbons can occur on its surface. Transient liquid water surface environments can be created by both impacts and cryovolcanic processes. In both cases, the water could mix with surface organics to form a primordial soup. The mission would sample both organic sediments and water ice to measure surface composition, achieving surface mobility by using rotors to take off, fly, and land at new sites. The Dragonfly rotorcraft lander can thus convey a single capable instrument suite to multiple locations providing the capability to explore diverse locations 10s to 100s of kilometers apart to characterize the habitability of Titan's environment, investigate how far prebiotic chemistry has progressed, and search for chemical signatures indicative of water- and/or hydrocarbon-based life.

Compositions of maple sap microflora and collection system biofilms evaluated by scanning electron microscopy and denaturing gradient gel electrophoresis.

PubMed

Lagacé, L; Jacques, M; Mafu, A A; Roy, D

2006-05-25

The bacterial microflora of maple sap and biofilms in collection system tubing were studied through the use of bacterial counts, scanning electron microscopy (SEM) of surfaces and the analysis of 16S rRNA gene by denaturing gradient gel electrophoresis (DGGE). Samples were taken at five times during the 2002 and 2003 seasons in order to follow the changes in the microflora of this complex ecosystem. Bacterial counts showed the growth of bacterial populations as the season advanced. These populations were mainly composed of psychrotrophic bacteria and Pseudomonas spp. SEM results confirmed the suspected presence of biofilms on the inner surfaces of tubing samples. Bacterial colonization and biofilm formation progressively increased during the season for both lateral and main line surfaces, and biofilms were mainly composed of rod shape bacteria. The bacterial microflora profiles obtained for sap and corresponding biofilm by DGGE showed up to 12 major bands. The Shannon-Weaver index of diversity (H) calculated from DGGE bands were statistically higher for sap samples compared to biofilm. The diversity index was relatively stable or increasing for lateral line sap and biofilm samples during the season while the diversity index for sap and biofilm samples of the main line showed a decreasing profile as the season progressed. Sequence analysis of major DGGE bands revealed the predominance of bacteria from the genera Pseudomonas, Rahnella and another, unidentified genus. The results describe the composition of sap collection system microflora as well as the formation of biofilms and will be useful for further studies on factors affecting maple product quality.

Probing the surface of γ-Al2O3 by oxygen-17 dynamic nuclear polarization enhanced solid-state NMR spectroscopy.

PubMed

Li, Wenzheng; Wang, Qiang; Xu, Jun; Aussenac, Fabien; Qi, Guodong; Zhao, Xingling; Gao, Pan; Wang, Chao; Deng, Feng

2018-06-14

γ-Al2O3 is an important catalyst and catalyst support of industrial interest. Its acid/base characteristics are correlated to the surface structure, which has always been an issue of concern. In this work, the complex (sub-)surface oxygen species on surface-selectively labelled γ-Al2O3 were probed by 17O dynamic nuclear polarization surface-enhanced NMR spectroscopy (DNP-SENS). Direct 17O MAS and indirect 1H-17O cross-polarization (CP)/MAS DNP experiments enable observation of the (sub-)surface bare oxygen species and hydroxyl groups. In particular, a two-dimensional (2D) 17O 3QMAS DNP spectrum was for the first time achieved for γ-Al2O3, in which two O(Al)4 and one O(Al)3 bare oxygen species were identified. The 17O isotropic chemical shifts (δcs) vary from 56.7 to 81.0 ppm and the quadrupolar coupling constants (CQ) range from 0.6 to 2.5 MHz for the three oxygen species. The coordinatively unsaturated O(Al)3 species is characterized by a higher field chemical shift (56.7 ppm) and the largest CQ value (2.5 MHz) among these oxygen sites. 2D 1H → 17O HETCOR DNP experiments allow us to discriminate three bridging (Aln)-μ2-OH and two terminal (Aln)-μ1-OH hydroxyl groups. The structural features of the bare oxygen species and hydroxyl groups are similar for the γ-Al2O3 samples isotopically labelled by 17O2 gas or H217O. The results presented here show that the combination of surface-selective labelling and DNP-SENS is an effective approach for characterizing oxides with complex surface species.

Automated visual inspection for polished stone manufacture

NASA Astrophysics Data System (ADS)

Smith, Melvyn L.; Smith, Lyndon N.

2003-05-01

Increased globalisation of the ornamental stone market has lead to increased competition and more rigorous product quality requirements. As such, there are strong motivators to introduce new, more effective, inspection technologies that will help enable stone processors to reduce costs, improve quality and improve productivity. Natural stone surfaces may contain a mixture of complex two-dimensional (2D) patterns and three-dimensional (3D) features. The challenge in terms of automated inspection is to develop systems able to reliably identify 3D topographic defects, either naturally occurring or resulting from polishing, in the presence of concomitant complex 2D stochastic colour patterns. The resulting real-time analysis of the defects may be used in adaptive process control, in order to avoid the wasteful production of defective product. An innovative approach, using structured light and based upon an adaptation of the photometric stereo method, has been pioneered and developed at UWE to isolate and characterize mixed 2D and 3D surface features. The method is able to undertake tasks considered beyond the capabilities of existing surface inspection techniques. The approach has been successfully applied to real stone samples, and a selection of experimental results is presented.

A new method for 3D thinning of hybrid shaped porous media using artificial intelligence. Application to trabecular bone.

PubMed

Jennane, Rachid; Aufort, Gabriel; Benhamou, Claude Laurent; Ceylan, Murat; Ozbay, Yüksel; Ucan, Osman Nuri

2012-04-01

Curve and surface thinning are widely-used skeletonization techniques for modeling objects in three dimensions. In the case of disordered porous media analysis, however, neither is really efficient since the internal geometry of the object is usually composed of both rod and plate shapes. This paper presents an alternative to compute a hybrid shape-dependent skeleton and its application to porous media. The resulting skeleton combines 2D surfaces and 1D curves to represent respectively the plate-shaped and rod-shaped parts of the object. For this purpose, a new technique based on neural networks is proposed: cascade combinations of complex wavelet transform (CWT) and complex-valued artificial neural network (CVANN). The ability of the skeleton to characterize hybrid shaped porous media is demonstrated on a trabecular bone sample. Results show that the proposed method achieves high accuracy rates about 99.78%-99.97%. Especially, CWT (2nd level)-CVANN structure converges to optimum results as high accuracy rate-minimum time consumption.

Stable isotopes of water in estimation of groundwater dependence in peatlands

NASA Astrophysics Data System (ADS)

Isokangas, Elina; Rossi, Pekka; Ronkanen, Anna-Kaisa; Marttila, Hannu; Rozanski, Kazimierz; Kløve, Bjørn

2016-04-01

Peatland hydrology and ecology can be irreversibly affected by anthropogenic actions or climate change. Especially sensitive are groundwater dependent areas which are difficult to determine. Environmental tracers such as stable isotopes of water are efficient tools to identify these dependent areas and study water flow patterns in peatlands. In this study the groundwater dependence of a Finnish peatland complex situated next to an esker aquifer was studied. Groundwater seepage areas in the peatland were localized by thermal imaging and the subsoil structure was determined using ground penetrating radar. Water samples were collected for stable isotopes of water (δ18O and δ2H), temperature, pH and electrical conductivity at 133 locations of the studied peatland (depth of 10 cm) at approximately 100 m intervals during 4 August - 11 August 2014. In addition, 10 vertical profiles were sampled (10, 30, 60 and 90 cm depth) for the same parameters and for hydraulic conductivity. The cavity ring-down spectroscopy (CRDS) was applied to measure δ18O and δ2H values. The local meteoric water line was determined using precipitation samples from Nuoritta station located 17 km west of the study area and the local evaporation line was defined using water samples from lake Sarvilampi situated on the studied peatland complex. Both near-surface spatial survey and depth profiles of peatland water revealed very wide range in stable isotope composition, from approximately -13.0 to -6.0 ‰ for δ18O and from -94 to -49 ‰ for δ2H, pointing to spatially varying influence of groundwater input from near-by esker aquifer. In addition, position of the data points with respect to the local meteoric water line showed spatially varying degree of evaporation of peatland water. Stable isotope signatures of peatland water in combination with thermal images delineated the specific groundwater dependent areas. By combining the information gained from different types of observations, the conceptual hydrological model of the studied peatland complex, including groundwater - surface water interaction, was built in a new, innovative way.

Aqueous stability of gadolinium in surface waters receiving sewage treatment plant effluent Boulder Creek, Colorado

USGS Publications Warehouse

Verplanck, P.L.; Taylor, Howard E.; Nordstrom, D. Kirk; Barber, L.B.

2005-01-01

In many surface waters, sewage treatment plant (STP) effluent is a substantial source of both regulated and unregulated contaminants, including a suite of complex organic compounds derived from household chemicals, pharmaceutical, and industrial and medical byproducts. In addition, STP effluents in some urban areas have also been shown to have a positive gadolinium (Gd) anomaly in the rare earth element (REE) pattern, with the Gd derived from its use in medical facilities. REE concentrations are relatively easy to measure compared to many organic wastewater compounds and may provide a more widely utilized tracer of STP effluents. To evaluate whether sewage treatment plant-associated Gd is a useful tracer of treatment plant effluent, an investigation of the occurrence, fate, and transport of rare earth elements was undertaken. The rare earth element patterns of four of five STP effluents sampled display positive Gd anomalies. The one site that did not have a Gd anomaly serves a small community, population 1200, with no medical facilities. Biosolids from a large metropolitan STP are not enriched in Gd even though the effluent is, suggesting that a substantial fraction of Gd remains in the aqueous phase through routine treatment plant operation. To evaluate whether STP-derived Gd persists in the fluvial environment, a 14-km study reach downstream of an STP was sampled. Gadolinium anomalies were present at all five downstream sites, but the magnitude of the anomaly decreased. Effluent from STPs is a complex mixture of organic and inorganic constituents, and to better understand the chemical interactions and their effect on REEs, the aqueous speciation was modeled using comprehensive chemical analyses of water samples collected downstream of STP input. These calculations suggest that the REEs will likely remain dissolved because phosphate and carbonate complexes dominate over free REE ions. This study supports the application of Gd anomalies as a useful tracer of urban wastewater.

Aqueous stability of gadolinium in surface waters receiving sewage treatment plant effluent, Boulder Creek, Colorado.

PubMed

Verplanck, Philip L; Taylor, Howard E; Nordstrom, D Kirk; Barber, Larry B

2005-09-15

In many surface waters, sewage treatment plant (STP) effluent is a substantial source of both regulated and unregulated contaminants, including a suite of complex organic compounds derived from household chemicals, pharmaceuticals, and industrial and medical byproducts. In addition, STP effluents in some urban areas have also been shown to have a positive gadolinium (Gd) anomaly in the rare earth element (REE) pattern, with the Gd derived from its use in medical facilities. REE concentrations are relatively easy to measure compared to many organic wastewater compounds and may provide a more widely utilized tracer of STP effluents. To evaluate whether sewage treatment plant-associated Gd is a useful tracer of treatment plant effluent, an investigation of the occurrence, fate, and transport of rare earth elements was undertaken. The rare earth element patterns of four of five STP effluents sampled display positive Gd anomalies. The one site that did not have a Gd anomaly serves a small community, population 1200, with no medical facilities. Biosolids from a large metropolitan STP are not enriched in Gd even though the effluent is, suggesting that a substantial fraction of Gd remains in the aqueous phase through routine treatment plant operation. To evaluate whether STP-derived Gd persists in the fluvial environment, a 14-km study reach downstream of an STP was sampled. Gadolinium anomalies were present at all five downstream sites, but the magnitude of the anomaly decreased. Effluent from STPs is a complex mixture of organic and inorganic constituents, and to better understand the chemical interactions and their effect on REEs, the aqueous speciation was modeled using comprehensive chemical analyses of water samples collected downstream of STP input. These calculations suggest that the REEs will likely remain dissolved because phosphate and carbonate complexes dominate over free REE ions. This study supports the application of Gd anomalies as a useful tracer of urban wastewater.

FIDO - Video File

NASA Technical Reports Server (NTRS)

1999-01-01

Field Integrated Design and Operations (FIDO) rover is a prototype of the Mars Sample Return rovers that will carry the integrated Athena Science Payload to Mars in 2003 and 2005. The purpose of FIDO is to simulate, using Mars analog settings, the complex surface operations that will be necessary to find, characterize, obtain, cache, and return samples to the ascent vehicles on the landers. This videotape shows tests of the FIDO in the Mojave Desert. These tests include drilling through rock and movement of the rover. Also included in this tape are interviews with Dr Raymond Arvidson, the test director for FIDO, and Dr. Eric Baumgartner, Robotics Engineer at the Jet Propulsion Laboratory.

Computer generated hologram from point cloud using graphics processor.

PubMed

Chen, Rick H-Y; Wilkinson, Timothy D

2009-12-20

Computer generated holography is an extremely demanding and complex task when it comes to providing realistic reconstructions with full parallax, occlusion, and shadowing. We present an algorithm designed for data-parallel computing on modern graphics processing units to alleviate the computational burden. We apply Gaussian interpolation to create a continuous surface representation from discrete input object points. The algorithm maintains a potential occluder list for each individual hologram plane sample to keep the number of visibility tests to a minimum. We experimented with two approximations that simplify and accelerate occlusion computation. It is observed that letting several neighboring hologram plane samples share visibility information on object points leads to significantly faster computation without causing noticeable artifacts in the reconstructed images. Computing a reduced sample set via nonuniform sampling is also found to be an effective acceleration technique.

A XPS Study of the Passivity of Stainless Steels Influenced by Sulfate-Reducing Bacteria.

NASA Astrophysics Data System (ADS)

Chen, Guocun

The influence of sulfate-reducing bacteria (SRB) on the passivity of type 304 and 317L stainless steels (SS) was investigated by x-ray photoelectron spectroscopy (XPS), microbiological and electrochemical techniques. Samples were exposed to SRB, and then the resultant surfaces were analyzed by XPS, and the corrosion resistance by potentiodynamic polarization in deaerated 0.1 M HCl. To further understand their passivity, the SRB-exposed samples were analyzed by XPS after potentiostatic polarization at a passive potential in the hydrochloric solution. The characterization was performed under two surface conditions: unrinsed and rinsed by deaerated alcohol and deionized water. Comparisons were made with control samples immersed in uninoculated medium. SRB caused a severe loss of the passivity of 304 SS through sulfide formation and possible additional activation to form hexavalent chromium. The sulfides included FeS, FeS_2, Cr_2S _3, NiS and possibly Fe_ {rm 1-x}S. The interaction took place nonuniformly, resulting in undercutting of the passive film and preferential hydration of inner surface layers. The bacterial activation of the Cr^{6+ }^ecies was magnified by subsequent potentiostatic polarization. In contrast, 317L SS exhibited a limited passivity. The sulfides were formed mainly in the outer layers. Although Cr^{6+}^ecies were observed after the exposure, they were dissolved upon polarization. Since 317L SS has a higher Mo content, its higher passivity was ascribed to Mo existing as molybdate on the surface and Mo^{5+} species in the biofilm. Consequently, the interaction of SRB with Mo was studied. It was observed that molybdate could be retained on the surfaces of Mo coupons by corrosion products. In the presence of SRB, however, a considerable portion of the molybdate interacted with intermediate sulfur -containing proteins, forming Mo(V)-S complexes and reducing bacterial growth and sulfate reduction. The limited insolubility of the Mo(V)-S complexes in 0.1 M HCl provided a certain protection so that the pitting potential of the SRB-exposed Mo coupons was not considerably decreased. The interaction of the sulfur-containing proteins with Mo also provided mechanistic information about the adhesion of biofilm to Mo-bearing steels. Additionally, the interactions of SRB with other alloying elements, Cr and Ni, were investigated.

Surface Complexation Modeling of U(VI) Adsorption onto Savannah River Site Sediments

NASA Astrophysics Data System (ADS)

Dong, W.; Wan, J.; Tokunaga, T. K.; Denham, M.; Davis, J.; Hubbard, S. S.

2011-12-01

The Savannah River Site (SRS) was a U.S. Department of Energy facility for plutonium production during the Cold War. Waste plumes containing low-level radioactivity and acidic waste solutions were discharged to a series of unlined seepage basins in the F-Area of the SRS from 1955 to 1988. Although the site has undergone many years of active remediation, the groundwater remains acidic, and the concentrations of U and other radionuclides are still significantly higher than their Maximum Contaminant Levels (MCLs). The objective of this effort is to understand and predict U(VI) mobility in acidic waste plumes through developing surface complexation models (SCMs). Laboratory batch experiments were conducted to evaluate U adsorption behavior over the pH range of 3.0 to 9.5. Ten sorbent samples were selected including six contaminated sediment samples from three boreholes drilled within the plume and along the groundwater flow direction, two uncontaminated (pristine) sediment samples from a borehole outside of the plume, and two reference minerals, goethite and kaolinite (identified as the dominant minerals in the clay size fraction of the F-Area sediments). The results show that goethite and kaolinite largely control U partitioning behavior. In comparison with the pristine sediment, U(VI) adsorption onto contaminated sediments exhibits adsorption edges shifted toward lower pH by about 1.0 unit (e.g., from pH≈4.5 to pH≈3.5). We developed a SCMs based component additivity (CA) approach, which can successfully predict U(VI) adsorption onto uncontaminated SRS sediments. However, application of the same SCMs based CA approach to contaminated sediments resulted in underestimates of U(VI) adsorption at acidic pH conditions. The model sensitivity analyses indicate that both goethite and kaolinite surfaces co-contributed to U(VI) adsorption under acidic pH conditions. In particular, the exchange sites of clay minerals might play an important role in adsorption of U(VI) at pH < 5.0. These results suggested that the contaminated sediments might either contain other more reactive clay minerals such as smectite, or that the long-term acid-leaching process might have altered the surface reactivity of the original sediments. Further studies are needed to identify more reactive mineral facies and understand the effects of acid leaching on the surface reactivity of the sediments.

Fluorescence "turn on" detection of mercuric ion based on bis(dithiocarbamato)copper(II) complex functionalized carbon nanodots.

PubMed

Yuan, Chao; Liu, Bianhua; Liu, Fei; Han, Ming-Yong; Zhang, Zhongping

2014-01-21

A new "turn on" fluorescence nanosensor for selective Hg(2+) determination is reported based on bis(dithiocarbamato)copper(II) functionalized carbon nanodots (CuDTC2-CDs). The CuDTC2 complex was conjugated to the prepared amine-coated CDs by the condensation of carbon disulfide onto the nitrogen atoms in the surface amine groups, followed by the coordination of copper(II) to the resulting dithiocarbamate groups (DTC) and finally by the additional coordination of ammonium N-(dithicarbaxy) sarcosine (DTCS) to form the CuDTC2-complexing CDs. The CuDTC2 complex at surface strongly quenched the bright-blue fluorescence of the CDs by a combination of electron transfer and energy transfer mechanism. Hg(2+) could immediately switch on the fluorescence of the CuDTC2-CDs by promptly displacing the Cu(2+) in the CuDTC2 complex and thus shutting down the energy transfer pathway, in which the sensitive limit for Hg(2+) as low as 4 ppb was reached. Moreover, a paper-based sensor has been fabricated by printing the CuDTC2-CDs probe ink on a piece of cellulose acetate paper using a commercial inkjet printer. The fluorescence "turn on" on the paper provided the most conveniently visual detection of aqueous Hg(2+) ions by the observation with naked eye. The very simple and effective strategy reported here facilitates the development of portable and reliable fluorescence nanosensors for the determination of Hg(2+) in real samples.

Laboratory Studies of Cometary Materials - Continuity Between Asteroid and Comet

NASA Technical Reports Server (NTRS)

Messenger, Scott; Walker, Robert M.

2015-01-01

Laboratory analysis of cometary samples have been enabled by collection of cometary dust in the stratosphere by high altitude aircraft and by the direct sampling of the comet Wild-2 coma by the NASA Stardust spacecraft. Cometary materials are composed of a complex assemblage of highly primitive, unprocessed interstellar and primordial solar system materials as well as a variety of high temperature phases that must have condensed in the inner regions of the protoplanetary disk. These findings support and contradict conclusions of comet properties based solely on astronomical observations. These sample return missions have instead shown that there is a continuity of properties between comets and asteroids, where both types of materials show evidence for primitive and processed materials. Furthermore, these findings underscore the importance and value of direct sample return. There will be great value in comparing the findings of the Stardust cometary coma sample return mission with those of future asteroid surface sample returns OSIRIS-REx and Hayabusa II as well as future comet nucleus sample returns.

Application of a UV-Vis submersible probe for capturing changes in DOC concentrations across a mire complex during the snowmelt and summer periods

NASA Astrophysics Data System (ADS)

Avagyan, Armine; Runkle, Benjamin; Kutzbach, Lars

2013-04-01

An accurate quantification of dissolved organic carbon (DOC) is crucial for understanding changes in water resources under the influence of climate, land use and urbanization. However, the conventionally used methods do not allow high frequency in situ analyses in remote or hostile environments (e.g., industrial wastewater or during environmental high-flow events, such as snowmelt or floods). In particular, missing measurements during the snowmelt period in landscapes of the boreal region can lead to significant miscalculations in regional carbon budgets. Therefore, the aim of the study was to test the performance of a portable, submersible UV-Vis spectrophotometer (spectro::lyser, s::can Messtechnik GmbH, Austria) during the snowmelt period in a boreal mire-forest catchment, and to provide a conceptual understanding of the spatial and temporal dynamics of DOC concentrations during and after snowmelt. During 2011, water samples were collected from the near-pristine Ust-Pojeg mire complex in northwestern Russia (61° 56'N, 50° 13'E). Sampling started during the spring snowmelt period and continued until late fall. The mire presented a mosaic of different landscape units. The mire consisted of minerogeous (fen), ombrogenous (bog), and transitional forest-mire (lagg) zones. Water samples were taken from the surface across the mire (22 points at 50-m intervals). DOC concentrations were analyzed directly at the study site using a portable, submersible UV-Vis spectrophotometer, which uses high-resolution absorbance measurements over the wavelength range 200-742.5 nm at 2.5-nm intervals as a proxy for DOC content. Because the DOC composition of fluids varies by site, a local calibration replaced the default settings of the spectro::lyser (Global Calibration) to enhance the accuracy of the measurements. To evaluate the local calibration and correct for drift, the same samples (n = 157) were additionally analyzed using the wet persulfate oxidation method (O-I-Analytica, Aurora Model 1030, USA). Based on ordinary least squares regression, the local calibration showed good agreement between the results obtained from the high-resolution absorption measurements and the wet persulfate oxidation method (r2= 0.99, root-mean-square error = 1.7 mg L-1). The measurement campaign revealed spatial and temporal variability of DOC concentrations, and demonstrated that at the beginning of the snowmelt period, surface carbon was flushed away by meltwater, whereas deeper layers remained frozen. During this time, the surface DOC concentrations fluctuated within the range of 8-15 mg L-1 (April 07) across the entire mire complex. After April 18, the concentrations diverged between the sites; the DOC concentration reached 30 mg L-1in the surface water at the lagg zone but was 15 mg L-1 at the bog site (April 25). The DOC surface water concentration continued to increase during summer and fall, ranging from 19 to 74 mg L-1 across the mire, with an average of 45 ± 14 mg L-1. The study indicates that high-resolution spectroscopic measurements provide a simple, fast, robust and non-destructive method for measuring DOC contents, with a short duration (17-20 seconds) and portability of the sample analysis rendering this method particularly advantageous for in-situ measurements at remote field locations.

Comparison of deformation mechanics for two different carbonates: oolitic limestone and laminites

NASA Astrophysics Data System (ADS)

Zihms, Stephanie; Lewis, Helen; Couples, Gary; Hall, Stephen; Somerville, Jim

2016-04-01

Carbonate rocks form under a range of conditions which leads to a diverse rock group. Even though carbonates are overall mineralogically simple, the solid-space distribution ranges from simple compositions such as oolitic limestones to highly complex networks of pores and solids as seen in coquinas. Their fundamental mechanical behaviour has been identified to be like clastic rocks (Vajdova 2004, Brantut, Heap et al. 2014). However it is very likely that this observation is not true for more complex carbonates. Triaxial tests were performed on cylindrical samples of two different carbonates; a) oolitic limestone (Bicqueley quarry, France) and b) laminite (Ariripe basin, Brazil). The samples were deformed under confining pressures of 8, 12 and 20MPa, and 20, 30 and 40MPa, respectively. All tests were stopped as soon as peak load was observed to preserve as many deformation characteristics as possible. Photographs of the samples were taken before and after deformation to allow surface analysis of deformation features. Additionally, samples were analysed post-deformation with X-ray tomography (XRT) (using the Zeiss XRadia XRM 520 at the 4D Imaging Lab at Lund University). The 3D tomography images represent the post-deformation samples' density distribution, allowing detailed, non-destructive, 3D analysis of the deformation features that developed in the triaxial testing, including the complex geometries and interactions of fractures, deformation bands and sedimentary layering. They also provide an insight into the complexity of deformation features produced due to the carbonate response. Initial results show that the oolitic limestone forms single shear bands almost the length of the sample, exhibiting similar characteristics to sandstones deformed under similar conditions. These features are observed for all three applied loads. The laminate sample deformed at the lowest confining pressure exhibits compactive features. However, the laminite samples deformed at the two higher confining pressures both show highly complex fracture networks comprising open fractures and fracture propagation. This suggests that the laminate changes from compactive to dilational responses over the selected confining conditions. The XRT analysis indicates that a more complex fracture distribution could be linked to rock component properties e.g. grain size and composition. For the laminite these are variable with the layers. This is in agreement with field observations of laminite microfabrics (Calvo, Rodriguez-Pascua et al. 1998). Additionally, the typical grain size of the laminate (μm) is much smaller than the oolitic limestone (mm), which suggests that fracture network complexity can also be linked to bulk system complexity i.e. pore & grain network. These deformation experiments show that, as previously observed, oolitic limestones seem to behave similarly to sandstones. However this observation is not true for laminites and it is very likely that more complex carbonates will develop even more complicated deformation behaviour. It is therefore necessary to systematically test different carbonate rocks to understand the impact of geometry and composition, as well as the interplay with the pore network. Brantut, N., et al. (2014). Journal of Geophysical Research: Solid Earth 119(7): 5444-5463. Calvo, J. P., et al. (1998). Sedimentology 45: 279-292. Vajdova, V. (2004). Journal of Geophysical Research 109(B5).

Multiplexed detection of mycotoxins in foods with a regenerable array.

PubMed

Ngundi, Miriam M; Shriver-Lake, Lisa C; Moore, Martin H; Ligler, Frances S; Taitt, Chris R

2006-12-01

The occurrence of different mycotoxins in cereal products calls for the development of a rapid, sensitive, and reliable detection method that is capable of analyzing samples for multiple toxins simultaneously. In this study, we report the development and application of a multiplexed competitive assay for the simultaneous detection of ochratoxin A (OTA) and deoxynivalenol (DON) in spiked barley, cornmeal, and wheat, as well as in naturally contaminated maize samples. Fluoroimmunoassays were performed with the Naval Research Laboratory array biosensor, by both a manual and an automated version of the system. This system employs evanescent-wave fluorescence excitation to probe binding events as they occur on the surface of a waveguide. Methanolic extracts of the samples were diluted threefold with buffer containing a mixture of fluorescent antibodies and were then passed over the arrays of mycotoxins immobilized on a waveguide. Fluorescent signals of the surface-bound antibody-antigen complexes decreased with increasing concentrations of free mycotoxins in the extract. After sample analysis was completed, surfaces were regenerated with 6 M guanidine hydrochloride in 50 mM glycine, pH 2.0. The limits of detection determined by the manual biosensor system were as follows: 1, 180, and 65 ng/g for DON and 1, 60, and 85 ng/g for OTA in cornmeal, wheat, and barley, respectively. The limits of detection in cornmeal determined with the automated array biosensor were 15 and 150 ng/g for OTA and DON, respectively.

Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beiswenger, Toya N.; Myers, Tanya L.; Brauer, Carolyn S.

For geologic and extraterrestrial samples it is known that both particle size and morphology can have strong effects on the species’ infrared reflectance spectra. Due to such effects, the reflectance spectra cannot be predicted from the absorption coefficients alone. This is because reflectance is both a surface as well as a bulk phenomenon, incorporating both dispersion as well as absorption effects. The same spectral features can even be observed as either a maximum or minimum. The complex effects depend on particle size and preparation, as well as the relative amplitudes of the optical constants n and k, i.e. the realmore » and imaginary components of the complex refractive index. While somewhat oversimplified, upward-going amplitude in the reflectance spectrum usually result from surface scattering, i.e. rays that have been reflected from the surface without penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. While the effects are well known, we report seminal measurements of reflectance along with quantified particle size of the samples, the sizing obtained from optical microscopy measurements. The size measurements are correlated with the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to understand the effects on the spectral features as a function of the mean grain size of the sample. We report results for both sodium sulfate Na2SO4 as well as ammonium sulfate (NH4)2SO4; the optical constants have been measured for (NH4)2SO4. To go a step further from the field to the laboratory we explore our understanding of particle size effects on reflectance spectra in the field using standoff detection. This has helped identify weaknesses and strengths in detection using standoff distances of up 160 meters away from the Target. The studies have shown that particle size has an enormous influence on the measured reflectance spectra of such materials; successful identification requires sufficient, representative reflectance data to include the particle sizes of interest.« less

Surface complexation studied via combined grazing-incidence EXAFS and surface diffraction: Arsenate on hematite (0001) and (10-12)

USGS Publications Warehouse

Waychunas, G.; Trainor, T.; Eng, P.; Catalano, J.; Brown, G.; Davis, J.; Rogers, J.; Bargar, J.

2005-01-01

X-ray diffraction [crystal-truncation-rod (CTR)] studies of the surface structure of moisture-equilibrated hematite reveal sites for complexation not present on the bulk oxygen-terminated surface, and impose constraints on the types of inner-sphere sorption topologies. We have used this improved model of the hematite surface to analyze grazing-incidence EXAFS results for arsenate sorption on the c(0001) and r(10-12) surfaces measured in two electric vector polarizations. This work shows that the reconfiguration of the surface under moist conditions is responsible for an increased adsorption density of arsenate complexes on the (0001) surface relative to predicted ideal termination, and an abundance of "edge-sharing" bidentate complexes on both studied surfaces. We consider possible limitations on combining the methods due to differing surface sensitivities, and discuss further analysis possibilities using both methods. ?? Springer-Verlag 2005.

Calendar Year 2004 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

N /A

2005-09-01

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2004 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2004 monitoring data were obtained from groundwater and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are inmore » reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge south of Y-12. The CY 2004 monitoring data were obtained under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT) and several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Data contained in this report meet applicable requirements of DOE Order 450.1 (Environmental Protection Program) regarding evaluation of groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). However, detailed analysis, evaluation, and interpretation of the CY 2004 monitoring data is deferred to the Y-12 Groundwater Protection Program Groundwater Monitoring Data Compendium (BWXT 2005). For each monitoring well, spring, and surface water sampling station included in this report, the GWPP Compendium provides: (1) pertinent well installation and construction information; (2) a complete sampling history, including sampling methods and distinguishing sampling characteristics; (3) an evaluation of hydrologic characteristics, based on pre-sampling groundwater elevations, along with a compilation of available test results (e.g., hydraulic conductivity test data); (4) a discussion of geochemical characteristics based on evaluation of the analytical results for the primary anions and cations; and (5) a detailed analysis and interpretation of the available data for the principal groundwater contaminants at Y-12: nitrate, uranium, volatile organic compounds (VOCs), gross alpha activity, and gross beta activity. The following sections of this report provide details regarding the CY 2004 groundwater and surface water monitoring activities in the Bear Creek, East Fork, and Chestnut Ridge Regime. Section 2 briefly describes the hydrogeologic system and generalized extent of groundwater contamination in each regime. Section 3 describes the monitoring programs implemented and associated sampling activities performed in each regime during CY 2004. Section 4 presents an a summary of the CY 2004 monitoring data with regard to the provisions of DOE Order 450.1 (surveillance and exit pathway/perimeter monitoring), including highlights of notable findings and time-series plots of data for CY 2004 sampling locations that provide representative examples of long-term contaminant concentration trends. Brief conclusions and proposed recommendations are provided in Section 5. Section 6 lists the documents cited for more detailed operational, regulatory, and technical information. The narrative sections of the report reference several appendices. Figures (maps and diagrams) and tables (excluding data summary tables presented in the narrative sections) are in Appendix A and Appendix B, respectively. Monitoring well construction details are in Appendix C. Results of field measurements and laboratory analyses of the groundwater and surface water samples collected during CY 2004 are in Appendix D (Bear Creek Regime), Appendix E (East Fork Regime and surrounding areas), and Appendix F (Chestnut Ridge Regime). Appendix G contains data for quality assurance/quality control (QA/QC) samples associated with monitoring performed in each regime by the Y-12 GWPP.« less

Sorption of Sr, Co and Zn on illite: Batch experiments and modelling including Co in-diffusion measurements on compacted samples

NASA Astrophysics Data System (ADS)

Montoya, V.; Baeyens, B.; Glaus, M. A.; Kupcik, T.; Marques Fernandes, M.; Van Laer, L.; Bruggeman, C.; Maes, N.; Schäfer, T.

2018-02-01

Experimental investigations on the uptake of divalent cations (Sr, Co and Zn) onto illite (Illite du Puy, Le-Puy-en-Velay, France) were carried out by three different international research groups (Institute for Nuclear Waste Disposal, KIT (Germany), Group Waste & Disposal, SCK-CEN, (Belgium) and Laboratory for Waste Management, PSI (Switzerland)) in the framework of the European FP7 CatClay project. The dependence of solid-liquid distribution ratios (Rd values) on pH at trace metal conditions (sorption edges) and on the metal ion concentration (sorption isotherms) was determined in dilute suspensions of homo-ionic Na-illite (Na-IdP) under controlled N2 atmosphere. The experimental results were modelled using the 2 Site Protolysis Non Electrostatic Surface Complexation and Cation Exchange (2SPNE SC/CE) sorption model. The sorption of Sr depends strongly on ionic strength, while a rather weak pH dependence is observed in a pH range between 3 and 11. The data were modelled with cation exchange reactions, taking into account competition with H, K, Ca, Mg and Al, and surface complexation on weak amphotheric edge sites at higher pH values. The sorption of Co on Na-IdP, however, is strongly pH dependent. Cation exchange on the planar sites and surface complexation on strong and weak amphoteric edge sites were used to describe the Co sorption data. Rd values for Co derived from in-diffusion measurements on compacted Na-IdP samples (bulk-dry density of 1700 kg m-3) between pH 5.0 and 9.0 are in good agreement with the batch sorption data. The equivalence of both approaches to measure sorption was thus confirmed for the present test system. In addition, the results highlight the importance of both major and minor surface species for the diffusive transport behaviour of strongly sorbing metal cations. While surface complexes at the edge sites determine largely the Rd value, the diffusive flux may be governed by those species bound to the planar sites, even at low fractional occupancies. The pH dependent sorption determined for trace Zn concentrations showed large Rd values across the entire pH range with almost no dependence on the background electrolyte concentration. Additional sorption experiments carried out at substantial fractional Zn loadings demonstrated that the selectivity for the exchange of Na+ for Zn2+ at the planar sites could not explain the large Rd values measured at low pH and trace Zn concentrations. This suggests that another mechanism is ruling Zn uptake under these conditions.

Workshop on New Views of the Moon: Integrated Remotely Sensed, Geophysical, and Sample Datasets

NASA Technical Reports Server (NTRS)

Jolliff, Brad L. (Editor); Ryder, Graham (Editor)

1998-01-01

It has been more than 25 years since Apollo 17 returned the last of the Apollo lunar samples. Since then, a vast amount of data has been obtained from the study of rocks and soils from the Apollo and Luna sample collections and, more recently, on a set of about a dozen lunar meteorites collected on Earth. Based on direct studies of the samples, many constraints have been established for the age, early differentiation, crust and mantle structure, and subsequent impact modification of the Moon. In addition, geophysical experiments at the surface, as well as remote sensing from orbit and Earth-based telescopic studies, have provided additional datasets about the Moon that constrain the nature of its surface and internal structure. Some might be tempted to say that we know all there is to know about the Moon and that it is time to move on from this simple satellite to more complex objects. However, the ongoing Lunar Prospector mission and the highly successful Clementine mission have provided important clues to the real geological complexity of the Moon, and have shown us that we still do not yet adequately understand the geologic history of Earth's companion. These missions, like Galileo during its lunar flyby, are providing global information viewed through new kinds of windows, and providing a fresh context for models of lunar origin, evolution, and resources, and perhaps even some grist for new questions and new hypotheses. The probable detection and characterization of water ice at the poles, the extreme concentration of Th and other radioactive elements in the Procellarum-Imbrium-Frigon's resurfaced areas of the nearside of the Moon, and the high-resolution gravity modeling enabled by these missions are examples of the kinds of exciting new results that must be integrated with the extant body of knowledge based on sample studies, in situ experiments, and remote-sensing missions to bring about the best possible understanding of the Moon and its history.

INFRARED AND ULTRAVIOLET SPECTRA OF METHANE DILUTED IN SOLID NITROGEN AND IRRADIATED WITH ELECTRONS DURING DEPOSITION AT VARIOUS TEMPERATURES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, Chih-Hao; Chen, Sian-Cong; Liu, Meng-Chen

We recorded the infrared and ultraviolet absorption spectra of CH{sub 4}:N{sub 2} matrix samples that underwent electron bombardment during deposition in the temperature range of 10–44 K. In contrast to a previous experiment on the IR spectroscopy of electron-bombarded icy samples, methyl and azide radicals became the main products upon electron bombardment during deposition; furthermore, reduced production of nitrile species was observed for deposition at 10 and 20 K. On the other hand, for deposition above 33 K, the observed bands of the radical species (such as methyl and azide) decreased, and bands of large nitriles appeared. This observation maymore » suggest that radical species easily diffuse and recombine to form more complex molecules in solid nitrogen at higher temperatures. Further measurements of similar samples at 10–33 K in the UV region revealed the intense band of azide radicals at 272.5 nm and weak, broad, overlapping features of methyl and azide radicals in the 225–197 nm region. For deposition at 44 K, only a broad feature centered at 219.4 nm was observed, and the possible carriers of nitrile species were proposed based on the corresponding IR spectrum and theoretical predictions of excitation energy. This band is similar to the observed absorption feature of Pluto’s surface recorded by the Hubble telescope in terms of both band position and bandwidth. Our findings therefore further support the suggestion that complex nitrile species may exist on the surface of Pluto.« less

Touchdown to take-off: at the interface of flight and surface locomotion

PubMed Central

2017-01-01

Small aerial robots are limited to short mission times because aerodynamic and energy conversion efficiency diminish with scale. One way to extend mission times is to perch, as biological flyers do. Beyond perching, small robot flyers benefit from manoeuvring on surfaces for a diverse set of tasks, including exploration, inspection and collection of samples. These opportunities have prompted an interest in bimodal aerial and surface locomotion on both engineered and natural surfaces. To accomplish such novel robot behaviours, recent efforts have included advancing our understanding of the aerodynamics of surface approach and take-off, the contact dynamics of perching and attachment and making surface locomotion more efficient and robust. While current aerial robots show promise, flying animals, including insects, bats and birds, far surpass them in versatility, reliability and robustness. The maximal size of both perching animals and robots is limited by scaling laws for both adhesion and claw-based surface attachment. Biomechanists can use the current variety of specialized robots as inspiration for probing unknown aspects of bimodal animal locomotion. Similarly, the pitch-up landing manoeuvres and surface attachment techniques of animals can offer an evolutionary design guide for developing robots that perch on more diverse and complex surfaces. PMID:28163884

Drop-on-demand sample introduction system coupled with the flowing atmospheric-pressure afterglow for direct molecular analysis of complex liquid micro-volume samples

PubMed Central

Schaper, J. Niklas; Pfeuffer, Kevin P.; Shelley, Jacob T.; Bings, Nicolas H.

2012-01-01

One of the fastest developing fields in analytical spectrochemistry in recent years is ambient desorption/ionization mass spectrometry (ADI-MS). This burgeoning interest has been due to the demonstrated advantages of the method: simple mass spectra, little or no sample preparation, and applicability to samples in the solid, liquid, or gaseous state. One such ADI-MS source, the flowing atmospheric-pressure afterglow (FAPA), is capable of direct analysis of solids just by aiming the source at the solid surface and sampling the produced ions into a mass spectrometer. However, direct introduction of significant volumes of liquid samples into this source has not been possible, as solvent loads can quench the afterglow and, thus, the formation of reagent ions. As a result, the analysis of liquid samples is preferably carried out by analyzing dried residues or by desorbing small amounts of liquid samples directly from the liquid surface. In the former case, reproducibility of sample introduction is crucial if quantitative results are desired. In the present study, introduction of liquid samples as very small droplets helps overcome the issues of sample positioning and reduced levels of solvent intake. A recently developed “drop-on-demand” (DOD) aerosol generator is capable of reproducibly producing very small volumes of liquid (~17 pL). In this paper, the coupling of FAPA-MS and DOD is reported and applications are suggested. Analytes representing different classes of substances were tested and limits of detections were determined. Matrix tolerance was investigated for drugs of abuse and their metabolites by analyzing raw urine samples and quantification without the use of internal standards. Limits of detection below 2 µg/mL, without sample pretreatment, were obtained. PMID:23025277

Drop-on-demand sample introduction system coupled with the flowing atmospheric-pressure afterglow for direct molecular analysis of complex liquid microvolume samples.

PubMed

Schaper, J Niklas; Pfeuffer, Kevin P; Shelley, Jacob T; Bings, Nicolas H; Hieftje, Gary M

2012-11-06

One of the fastest developing fields in analytical spectrochemistry in recent years is ambient desorption/ionization mass spectrometry (ADI-MS). This burgeoning interest has been due to the demonstrated advantages of the method: simple mass spectra, little or no sample preparation, and applicability to samples in the solid, liquid, or gaseous state. One such ADI-MS source, the flowing atmospheric-pressure afterglow (FAPA), is capable of direct analysis of solids just by aiming the source at the solid surface and sampling the produced ions into a mass spectrometer. However, direct introduction of significant volumes of liquid samples into this source has not been possible, as solvent loads can quench the afterglow and, thus, the formation of reagent ions. As a result, the analysis of liquid samples is preferably carried out by analyzing dried residues or by desorbing small amounts of liquid samples directly from the liquid surface. In the former case, reproducibility of sample introduction is crucial if quantitative results are desired. In the present study, introduction of liquid samples as very small droplets helps overcome the issues of sample positioning and reduced levels of solvent intake. A recently developed "drop-on-demand" (DOD) aerosol generator is capable of reproducibly producing very small volumes of liquid (∼17 pL). In this paper, the coupling of FAPA-MS and DOD is reported and applications are suggested. Analytes representing different classes of substances were tested and limits of detections were determined. Matrix tolerance was investigated for drugs of abuse and their metabolites by analyzing raw urine samples and quantification without the use of internal standards. Limits of detection below 2 μg/mL, without sample pretreatment, were obtained.

Surface reaction of SnII on goethite (α-FeOOH): surface complexation, redox reaction, reductive dissolution, and phase transformation.

PubMed

Dulnee, Siriwan; Scheinost, Andreas C

2014-08-19

To elucidate the potential risk of (126)Sn migration from nuclear waste repositories, we investigated the surface reactions of Sn(II) on goethite as a function of pH and Sn(II) loading under anoxic condition with O2 level < 2 ppmv. Tin redox state and surface structure were investigated by Sn K edge X-ray absorption spectroscopy (XAS), goethite phase transformations were investigated by high-resolution transmission electron microscopy and selected area electron diffraction. The results demonstrate the rapid and complete oxidation of Sn(II) by goethite and formation of Sn(IV) (1)E and (2)C surface complexes. The contribution of (2)C complexes increases with Sn loading. The Sn(II) oxidation leads to a quantitative release of Fe(II) from goethite at low pH, and to the precipitation of magnetite at higher pH. To predict Sn sorption, we applied surface complexation modeling using the charge distribution multisite complexation approach and the XAS-derived surface complexes. Log K values of 15.5 ± 1.4 for the (1)E complex and 19.2 ± 0.6 for the (2)C complex consistently predict Sn sorption across pH 2-12 and for two different Sn loadings and confirm the strong retention of Sn(II) even under anoxic conditions.

Extraction of Organic Molecules from Terrestrial Material: Quantitative Yields from Heat and Water Extractions

NASA Technical Reports Server (NTRS)

Beegle, L. W.; Abbey, W. A.; Tsapin, A. T.; Dragoi, D.; Kanik, I.

2004-01-01

In the robotic search for life on Mars, different proposed missions will analyze the chemical and biological signatures of life using different platforms. The analysis of samples via analytical instrumentation on the surface of Mars has thus far only been attempted by the two Viking missions. Robotic arms scooped relogith material into a pyrolysis oven attached to a GC/MS. No trace of organic material was found on any of the two different samples at either of the two different landing sites. This null result puts an upper limit on the amount of organics that might be present in Martian soil/rocks, although the level of detection for each individual molecular species is still debated. Determining the absolute limit of detection for each analytical instrument is essential so that null results can be understood. This includes investigating the trade off of using pyrolysis versus liquid solvent extraction to release organic materials (in terms of extraction efficiencies and the complexity of the sample extraction process.) Extraction of organics from field samples can be accomplished by a variety of methods such utilizing various solvents including HCl, pure water, supercritical fluid and Soxhelt extraction. Utilizing 6N HCl is one of the most commonly used method and frequently utilized for extraction of organics from meteorites but it is probably infeasible for robotic exploration due to difficulty of storage and transport. Extraction utilizing H2O is promising, but it could be less efficient than 6N HCl. Both supercritical fluid and Soxhelt extraction methods require bulky hardware and require complex steps, inappropriate for inclusion on rover spacecraft. This investigation reports the efficiencies of pyrolysis and solvent extraction methods for amino acids for different terrestrial samples. The samples studied here, initially created in aqueous environments, are sedimentary in nature. These particular samples were chosen because they possibly represent one of the best terrestrial analogs of Mars and they represent one of the absolute best case scenarios for finding organic molecules on the Martian surface.

Laser-induced breakdown spectroscopy (LIBS) technique for the determination of the chemical composition of complex inorganic materials

NASA Astrophysics Data System (ADS)

Łazarek, Łukasz; Antończak, Arkadiusz J.; Wójcik, Michał R.; Kozioł, Paweł E.; Stepak, Bogusz; Abramski, Krzysztof M.

2014-08-01

Laser-induced breakdown spectroscopy (LIBS) is a fast, fully optical method, that needs little or no sample preparation. In this technique qualitative and quantitative analysis is based on comparison. The determination of composition is generally based on the construction of a calibration curve namely the LIBS signal versus the concentration of the analyte. Typically, to calibrate the system, certified reference materials with known elemental composition are used. Nevertheless, such samples due to differences in the overall composition with respect to the used complex inorganic materials can influence significantly on the accuracy. There are also some intermediate factors which can cause imprecision in measurements, such as optical absorption, surface structure, thermal conductivity etc. This paper presents the calibration procedure performed with especially prepared pellets from the tested materials, which composition was previously defined. We also proposed methods of post-processing which allowed for mitigation of the matrix effects and for a reliable and accurate analysis. This technique was implemented for determination of trace elements in industrial copper concentrates standardized by conventional atomic absorption spectroscopy with a flame atomizer. A series of copper flotation concentrate samples was analyzed for contents of three elements, that is silver, cobalt and vanadium. It has been shown that the described technique can be used to qualitative and quantitative analyses of complex inorganic materials, such as copper flotation concentrates.

Accurate in situ measurement of complex refractive index and particle size in intralipid emulsions

NASA Astrophysics Data System (ADS)

Dong, Miao L.; Goyal, Kashika G.; Worth, Bradley W.; Makkar, Sorab S.; Calhoun, William R.; Bali, Lalit M.; Bali, Samir

2013-08-01

A first accurate measurement of the complex refractive index in an intralipid emulsion is demonstrated, and thereby the average scatterer particle size using standard Mie scattering calculations is extracted. Our method is based on measurement and modeling of the reflectance of a divergent laser beam from the sample surface. In the absence of any definitive reference data for the complex refractive index or particle size in highly turbid intralipid emulsions, we base our claim of accuracy on the fact that our work offers several critically important advantages over previously reported attempts. First, our measurements are in situ in the sense that they do not require any sample dilution, thus eliminating dilution errors. Second, our theoretical model does not employ any fitting parameters other than the two quantities we seek to determine, i.e., the real and imaginary parts of the refractive index, thus eliminating ambiguities arising from multiple extraneous fitting parameters. Third, we fit the entire reflectance-versus-incident-angle data curve instead of focusing on only the critical angle region, which is just a small subset of the data. Finally, despite our use of highly scattering opaque samples, our experiment uniquely satisfies a key assumption behind the Mie scattering formalism, namely, no multiple scattering occurs. Further proof of our method's validity is given by the fact that our measured particle size finds good agreement with the value obtained by dynamic light scattering.

Accurate in situ measurement of complex refractive index and particle size in intralipid emulsions.

PubMed

Dong, Miao L; Goyal, Kashika G; Worth, Bradley W; Makkar, Sorab S; Calhoun, William R; Bali, Lalit M; Bali, Samir

2013-08-01

A first accurate measurement of the complex refractive index in an intralipid emulsion is demonstrated, and thereby the average scatterer particle size using standard Mie scattering calculations is extracted. Our method is based on measurement and modeling of the reflectance of a divergent laser beam from the sample surface. In the absence of any definitive reference data for the complex refractive index or particle size in highly turbid intralipid emulsions, we base our claim of accuracy on the fact that our work offers several critically important advantages over previously reported attempts. First, our measurements are in situ in the sense that they do not require any sample dilution, thus eliminating dilution errors. Second, our theoretical model does not employ any fitting parameters other than the two quantities we seek to determine, i.e., the real and imaginary parts of the refractive index, thus eliminating ambiguities arising from multiple extraneous fitting parameters. Third, we fit the entire reflectance-versus-incident-angle data curve instead of focusing on only the critical angle region, which is just a small subset of the data. Finally, despite our use of highly scattering opaque samples, our experiment uniquely satisfies a key assumption behind the Mie scattering formalism, namely, no multiple scattering occurs. Further proof of our method's validity is given by the fact that our measured particle size finds good agreement with the value obtained by dynamic light scattering.

Surface modified capillary electrophoresis combined with in solution isoelectric focusing and MALDI-TOF/TOF MS: a gel-free multidimensional electrophoresis approach for proteomic profiling--exemplified on human follicular fluid.

PubMed

Hanrieder, Jörg; Zuberovic, Aida; Bergquist, Jonas

2009-04-24

Development of miniaturized analytical tools continues to be of great interest to face the challenges in proteomic analysis of complex biological samples such as human body fluids. In the light of these challenges, special emphasis is put on the speed and simplicity of newly designed technological approaches as well as the need for cost efficiency and low sample consumption. In this study, we present an alternative multidimensional bottom-up approach for proteomic profiling for fast, efficient and sensitive protein analysis in complex biological matrices. The presented setup was based on sample pre-fractionation using microscale in solution isoelectric focusing (IEF) followed by tryptic digestion and subsequent capillary electrophoresis (CE) coupled off-line to matrix assisted laser desorption/ionization time of flight tandem mass spectrometry (MALDI TOF MS/MS). For high performance CE-separation, PolyE-323 modified capillaries were applied to minimize analyte-wall interactions. The potential of the analytical setup was demonstrated on human follicular fluid (hFF) representing a typical complex human body fluid with clinical implication. The obtained results show significant identification of 73 unique proteins (identified at 95% significance level), including mostly acute phase proteins but also protein identities that are well known to be extensively involved in follicular development.

Multiscale properties of unconventional reservoir rocks

NASA Astrophysics Data System (ADS)

Woodruff, W. F.

A multidisciplinary study of unconventional reservoir rocks is presented, providing the theory, forward modeling and Bayesian inverse modeling approaches, and laboratory protocols to characterize clay-rich, low porosity and permeability shales and mudstones within an anisotropic framework. Several physical models characterizing oil and gas shales are developed across multiple length scales, ranging from microscale phenomena, e.g. the effect of the cation exchange capacity of reactive clay mineral surfaces on water adsorption isotherms, and the effects of infinitesimal porosity compaction on elastic and electrical properties, to meso-scale phenomena, e.g. the role of mineral foliations, tortuosity of conduction pathways and the effects of organic matter (kerogen and hydrocarbon fractions) on complex conductivity and their connections to intrinsic electrical anisotropy, as well as the macro-scale electrical and elastic properties including formulations for the complex conductivity tensor and undrained stiffness tensor within the context of effective stress and poroelasticity. Detailed laboratory protocols are described for sample preparation and measurement of these properties using spectral induced polarization (SIP) and ultrasonics for the anisotropic characterization of shales for both unjacketed samples under benchtop conditions and jacketed samples under differential loading. An ongoing study of the effects of kerogen maturation through hydrous pyrolysis on the complex conductivity is also provided in review. Experimental results are catalogued and presented for various unconventional formations in North America including the Haynesville, Bakken, and Woodford shales.

Tactile mapping system: a novel imaging technology for surface topography and elasticity of tissues or organs.

PubMed

Oie, Tomonori; Suzuki, Hisato; Fukuda, Toru; Murayama, Yoshinobu; Omata, Sadao; Kanda, Keiichi; Nakayama, Yasuhide

2009-11-01

: We demonstrated that the tactile mapping system (TMS) has a high degree of spatial precision in the distribution mapping of surface elasticity of tissues or organs. : Samples used were a circumferential section of a small-caliber porcine artery (diameter: ∼3 mm) and an elasticity test pattern with a line and space configuration for the distribution mapping of elasticity, prepared by regional micropatterning of a 14-μm thick gelatin hydrogel coating on a polyurethane sheet. Surface topography and elasticity in normal saline were simultaneously investigated by TMS using a probe with a diameter of 5 or 12 μm, a spatial interval of 1 to 5 μm, and an indentation depth of 4 μm. : In the test pattern, a spatial resolution in TMS of <5 μm was acquired under water with a minimal probe diameter and spatial interval of the probe movement. TMS was used for the distribution mapping of surface elasticity in a flat, circumferential section (thickness: ∼0.5 mm) of a porcine artery, and the concentric layers of the vascular wall, including the collagen-rich and elastin-rich layers, could be clearly differentiated in terms of surface elasticity at the spatial resolution of <2 μm. : TMS is a simple and inexpensive technique for the distribution mapping of the surface elasticity in vascular tissues at the spatial resolution <2 μm. TMS has the ability to analyze a complex structure of the tissue samples under normal saline.

Beam-hardening correction by a surface fitting and phase classification by a least square support vector machine approach for tomography images of geological samples

NASA Astrophysics Data System (ADS)

Khan, F.; Enzmann, F.; Kersten, M.

2015-12-01

In X-ray computed microtomography (μXCT) image processing is the most important operation prior to image analysis. Such processing mainly involves artefact reduction and image segmentation. We propose a new two-stage post-reconstruction procedure of an image of a geological rock core obtained by polychromatic cone-beam μXCT technology. In the first stage, the beam-hardening (BH) is removed applying a best-fit quadratic surface algorithm to a given image data set (reconstructed slice), which minimizes the BH offsets of the attenuation data points from that surface. The final BH-corrected image is extracted from the residual data, or the difference between the surface elevation values and the original grey-scale values. For the second stage, we propose using a least square support vector machine (a non-linear classifier algorithm) to segment the BH-corrected data as a pixel-based multi-classification task. A combination of the two approaches was used to classify a complex multi-mineral rock sample. The Matlab code for this approach is provided in the Appendix. A minor drawback is that the proposed segmentation algorithm may become computationally demanding in the case of a high dimensional training data set.

On-chip purification and detection of hepatitis C virus RNA from human plasma.

PubMed

Vaghi, V; Potrich, C; Pasquardini, L; Lunelli, L; Vanzetti, L; Ebranati, E; Lai, A; Zehender, G; Mombello, D; Cocuzza, M; Pirri, C F; Pederzolli, C

2016-01-01

Hepatitis C virus (HCV) is one of the main causes of chronic liver disease worldwide. The diagnosis and monitoring of HCV infection is a crucial need in the clinical management. The conventional diagnostic technologies are challenged when trying to address molecular diagnostics, especially because they require a complex and time-consuming sample preparation phase. Here, a new concept based on surface functionalization was applied to viral RNA purification: first of all polydimethylsiloxane (PDMS) flat surfaces were modified to hold RNA adsorption. After a careful chemical and morphological analysis of the modified surfaces, the functionalization protocols giving the best RNA adsorbing surfaces were applied to PDMS microdevices. The functionalized microdevices were then used for RNA purification from HCV infected human plasma samples. RNA purification and RT were successfully performed in the same microdevice chamber, saving time of analysis, reagents, and labor. The PCR protocol for HCV cDNA amplification was also implemented in the microdevice, demonstrating that the entire process of HCV analysis, from plasma to molecular readout, could be performed on-chip. Not only HCV but also other microdevice-based viral RNA detection could therefore result in a successful Point-of-Care (POC) diagnostics for resource-limited settings. Copyright © 2015 Elsevier B.V. All rights reserved.

Spectroellipsometric, AFM and XPS probing of stainless steel surfaces subjected to biological influences

NASA Astrophysics Data System (ADS)

Vinnichenko, M.; Chevolleau, Th; Pham, M. T.; Poperenko, L.; Maitz, M. F.

2002-11-01

Surface modification of austenitic stainless steel (SS) 316L after incubation in growing cell cultures and cell-free media as control has been studied. The following treatments were applied: mouse fibrosarcoma cells L929 for 3 and 7 days, polymorphonuclear neutrophils for 3 and 7 days and human osteosarcoma cells SAOS-2 for 7 and 14 days. Cells were enzymatically removed in all cases. The modified surfaces were probed in comparison with untreated ones by means of spectroscopic ellipsometry (SE), X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). XPS shows the appearance of the peak of bonded nitrogen at 400.5 eV characteristic for adsorbed proteins on the surface for each type of cells and for the cell-free medium. Migration of Ni in the adsorbed layer is observed in all cases for samples after the cell cultures. The protein layer thickness is ellipsometrically determined to be within 2.5-6.0 nm for all treated samples with parameterization of its optical constants in Cauchy approach. The study showed that for such biological treatments of the SS the protein layer adsorption is the dominating process in the first 2 weeks, which could play a role in the process of corrosion by complex forming properties with metal ions.

U-isotopes and (226)Ra as tracers of hydrogeochemical processes in carbonated karst aquifers from arid areas.

PubMed

Guerrero, José Luis; Vallejos, Ángela; Cerón, Juan Carlos; Sánchez-Martos, Francisco; Pulido-Bosch, Antonio; Bolívar, Juan Pedro

2016-07-01

Sierra de Gádor is a karst macrosystem with a highly complex geometry, located in southeastern Spain. In this arid environment, the main economic activities, agriculture and tourism, are supported by water resources from the Sierra de Gádor aquifer system. The aim of this work was to study the levels and behaviour of some of the most significant natural radionuclides in order to improve the knowledge of the hydrogeochemical processes involved in this groundwater system. For this study, 28 groundwater and 7 surface water samples were collected, and the activity concentrations of the natural U-isotopes ((238)U, (235)U and (234)U) and (226)Ra by alpha spectrometry were determined. The activity concentration of (238)U presented a large variation from around 1.1 to 65 mBq L(-1). Elevated groundwater U concentrations were the result of oxidising conditions that likely promoted U dissolution. The PHREEQC modelling code showed that dissolved U mainly existed as uranyl carbonate complexes. The (234)U/(238)U activity ratios were higher than unity for all samples (1.1-3.8). Additionally, these ratios were in greater disequilibrium in groundwater than surface water samples, the likely result of greater water-rock contact time. (226)Ra presented a wide range of activity concentrations, (0.8 up to about 4 × 10(2) mBq L(-1)); greatest concentrations were detected in the thermal area of Alhama. Most of the samples showed (226)Ra/(234)U activity ratios lower than unity (median = 0.3), likely the result of the greater mobility of U than Ra in the aquifer system. The natural U-isotopes concentrations were strongly correlated with dissolution of sulphate evaporites (mainly gypsum). (226)Ra had a more complex behaviour, showing a strong correlation with water salinity, which was particularly evident in locations where thermal anomalies were detected. The most saline samples showed the lowest (234)U/(238)U activity ratios, probably due to fast uniform bulk mineral dissolution, which would minimize the impact of solubility-controlled fractionation processes. Furthermore, the high bulk dissolution rates promoted greater groundwater (226)Ra/(234)U ratios because the Ra has a comparatively much greater mobility than U in saline conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Characterization of Uranium Contamination, Transport, and Remediation at Rocky Flats - Across Remediation into Post-Closure

NASA Astrophysics Data System (ADS)

Janecky, D. R.; Boylan, J.; Murrell, M. T.

2009-12-01

The Rocky Flats Site is a former nuclear weapons production facility approximately 16 miles northwest of Denver, Colorado. Built in 1952 and operated by the Atomic Energy Commission and then Department of Energy, the Site was remediated and closed in 2005, and is currently undergoing long-term surveillance and monitoring by the DOE Office of Legacy Management. Areas of contamination resulted from roughly fifty years of operation. Of greatest interest, surface soils were contaminated with plutonium, americium, and uranium; groundwater was contaminated with chlorinated solvents, uranium, and nitrates; and surface waters, as recipients of runoff and shallow groundwater discharge, have been contaminated by transport from both regimes. A region of economic mineralization that has been referred to as the Colorado Mineral Belt is nearby, and the Schwartzwalder uranium mine is approximately five miles upgradient of the Site. Background uranium concentrations are therefore elevated in many areas. Weapons-related activities included work with enriched and depleted uranium, contributing anthropogenic content to the environment. Using high-resolution isotopic analyses, Site-related contamination can be distinguished from natural uranium in water samples. This has been instrumental in defining remedy components, and long-term monitoring and surveillance strategies. Rocky Flats hydrology interlinks surface waters and shallow groundwater (which is very limited in volume and vertical and horizontal extent). Surface water transport pathways include several streams, constructed ponds, and facility surfaces. Shallow groundwater has no demonstrated connection to deep aquifers, and includes natural preferential pathways resulting primarily from porosity in the Rocky Flats alluvium, weathered bedrock, and discontinuous sandstones. In addition, building footings, drains, trenches, and remedial systems provide pathways for transport at the site. Removal of impermeable surfaces (buildings, roads, and so on) during the Site closure efforts resulted in major changes to surface and shallow groundwater flow. Consistent with previous documentation of uranium operations and contamination, only very small amounts of highly enriched uranium are found in a small number of water samples, generally from the former Solar Ponds complex and central Industrial Area. Depleted uranium is more widely distributed at the site, and water samples exhibit the full range of depleted plus natural uranium mixtures. However, one third of the samples are found to contain only natural uranium, and three quarters of the samples are found to contain more than 90% natural uranium - substantial fractions given that the focus of these analyses was on evaluating potentially contaminated waters. Following site closure, uranium concentrations have increased at some locations, particularly for surface water samples. Overall, isotopic ratios at individual locations have been relatively consistent, indicating that the increases in concentrations are due to decreases in dilution flow following removal of impermeable surfaces and buildings.

Character of High Temperature Mylonitic Shear Zones Associated with Oceanic Detachment Faults at the Ultra-Slow Mid-Cayman Rise

NASA Astrophysics Data System (ADS)

Marr, C.; John, B. E.; Cheadle, M. J.; German, C. R.

2014-12-01

Two well-preserved core complexes at the Mid-Cayman Rise (MCR), Mt Dent and Mt Hudson, provide an opportunity to examine the deformation history and rheology of detachment faults at an ultra-slow spreading ridge. Samples from the CAYTROUGH (1976-77) project and the Nautilus NA034 cruise (2013) were selected for detailed petrographic and microstructural study. Surface samples from Mt. Dent (near the center of the MCR) provide insight into lateral variation in footwall rock type and deformation history across a core complex in both the across and down dip directions. In contrast, sampling of Mt. Hudson (SE corner of the MCR) focuses on a high-angle, crosscutting normal fault scarp, which provides a cross section of the detachment fault system. Sampling across Mt Dent reveals that the footwall is composed of heterogeneously-distributed gabbro (47%) and peridotite (20%) with basaltic cover (33%) dominating the top of the core complex. Sampling of Mt Hudson is restricted to the normal fault scarp cutting the core complex and suggests the interior is dominated by gabbro (85% gabbro, 11% peridotite, 4% basalt). At Mt. Dent, peridotite is exposed within ~4km of the breakaway indicating that the Mt. Dent detachment does not cut Penrose-style oceanic crust. The sample set provides evidence of a full down-temperature sequence of detachment related-fault rocks, from possible granulite and clear amphibolite mylonitizatization to prehnite-pumpellyite brittle deformation. Both detachments show low-temperature brittle deformation overprinting higher temperature plastic fabrics. Fe-Ti oxide gabbro mylonites dominate the sample set, and plastic deformation of plagioclase is recorded in samples collected as near as ~4km from the inferred breakaway along the southern flank of Mt. Dent, suggesting the brittle-plastic transition was initially at ~3km depth. Recovered samples suggest strain associated with both detachment systems is localized into discrete mylonitic shear zones (~1-10cm thick), implying that the plastic portion of the fault consists of a broad zone of thin, anastomosing shear zones. Concentrations of Ti-rich magmatic hornblende and interstitial Fe-Ti oxides in the high strain horizons are consistent with the lowermost part of the fault(s) localizing in the margins of the mush zone of a shallow magma chamber.

Pinus Monophylla (Single Needled Pinyon Pine) show morphological changes in needle cell size and stomata over the past 100 years of rising CO2 in Western Arid Ecosystems.

NASA Astrophysics Data System (ADS)

Van De Water, P. K.

2016-12-01

The size, frequency, and morphology of leaf surface stomata is used to reconstruct past levels of atmospheric carbon dioxide over geologic time. This technique relies on measuring cell and cell-clusters to correlate with changes of known carbon dioxide levels in the atmosphere. Unfortunately, not all plants are suitable because the occurrence and placement of stomatal cell-complexes differ significantly between plant families. Monocot and dicot angiosperms exhibit different types of stomata and stomatal complexes that lack order and thus are unsuitable. But, in gymnosperms, the number and distribution of stomata and pavement cells is formalized and can be used to reconstruct past atmospheric carbon dioxide levels. However, characteristic of each plant species must still be considered. For example, conifers are useful but are divided into two-needle to five-needle pines, or have irregular surface morphology (Pseudotsuga sp. and Tsuga sp. needles). This study uses Pinus monophylla an undivided needle morphology, that being a cylinder has no interior surface cells. Pinus monophylla (single needle pinyon) needles were collected along Geiger Grade (Nevada State Highway 341, Reno) in 2005 and 2013 from 1500m to 2195m. Herbarium samples were also collected from 13 historic collections made between 1911 and 1994. The study determined changes with elevation and/or over time using in these populations. Using Pinus monophylla, insured needles represented a single surface with stomata, stomatal complex cells, and co-occurring pavement cell types. Results show decreased stomatal densities (stomata/area), stomatal index (stomata/stomata + epidermal cells) and stable stomata per row (stomata/row) . Epidermal cell density (Epidermal Cells /Area), and Pavement cell density (Pavement cell/area) track stomatal density similarly. Data comparison, using elevation in the 2005 and 2013 collections showed no-significant trends. Individual stomatal complexes show no differences in the size and shape over time or with elevation. Stomata morphology and the stomatal pores appear conservative. However some complex cells show a morphology suggesting they are not fully formed and functional. These characteristics appear often in the modern material suggesting some stomata never fully develop.

The Lusi eruption site: insights from surface and subsurface investigations

NASA Astrophysics Data System (ADS)

Mazzini, A.

2017-12-01

The Indonesian Lusi eruption has been spewing boiling water, gas, and sediments since the 29th of May 2006. Initially, numerous aligned eruptions sites appeared along the Watukosek fault system (WFS) that was reactivated after the Yogyakarta earthquake occurring the 27th of May in the Java Island. Within weeks several villages were submerged by boiling mud. The most prominent eruption site was named Lusi. To date Lusi is still active and an area of 7 km2is covered by mud. Since its birth Lusi erupted with a pulsating behaviour. In the framework of the ERC grant "Lusi Lab" we conducted several years of monitoring and regional investigations coupling surface sampling and subsurface imaging in the region around Lusi. Ambient noise tomography studies, obtained with a local network of 31 stations, revealed for the first time subsurface images of the Lusi region and the adjacent Arjuno-Welirang (AW) volcanic complex. Results show that below the AW volcanic complex are present 5km deep magma chambers that are connected, through a defined corridor, with the roots of the Lusi eruption site. The Lusi subsurface shows the presence of a defined vertical hydrothermal plume that extends to at least 5km. Chemical analyses of the seeping fluids sampled from 1) the Lusi plume (using a specifically designed drone), 2) the region around Lusi, and 3) the fumaroles and the hydro thermal springs of AW, revealed striking similarities. More specifically a mantellic signature of the Lusi fluids confirms the scenario that Lusi represents a magmatic-driven hydrothermal system hosted in sedimentary basin. Seismic profiles interpretation, surface mapping, and fluid sampling show that the WFS, connecting AW and extending towards the NE of Java, acted as a preferential pathway for the igneous intrusion and fluids migration towards the subsurface. Petrography and dating of the clasts erupted at Lusi record high temperatures and indicate that the roots of the active conduit extend to at least 5km at depth, matching the observations and images obtained with geophysical investigations. Converging results support a scenario where igneous intrusions and hydrothermal fluid migrating from the AW complex moved towards the NE of Java. The triggered metamorphic reaction resulted in high overpressures that initiated the Lusi eruption site.

Detection of warning surfaces in pedestrian environments: the importance for blind people of kerbs, depth, and structure of tactile surfaces.

PubMed

Ståhl, Agneta; Newman, Emma; Dahlin-Ivanoff, Synneve; Almén, Mai; Iwarsson, Sussane

2010-01-01

The overall purpose was to study whether and how persons with blindness detect warning surfaces with a long white cane in a real pedestrian environment after following a natural guidance surface to the warning surfaces. Of particular interest was the importance of kerb, depth, and structure of the warning surfaces. A concurrently mixed methods approach, with a combination of observation using a structured form together with 'think aloud' and a structured interview, was used. It was done with well-defined samples and study sites in an inter-disciplinary research context. The results show that the most important design characteristic for detection of the warning surfaces with a white cane is the structure of the surface, while the depth of the surface and availability of a kerb do not have any impact on the detection. A precondition was that there is a distinct natural guidance surface leading up to the warning surface. The probability among pedestrians with blindness to detect a tactile surface is not higher if the design solution has a kerb. This study also confirms the complexity of being a blind pedestrian in the traffic environment. The results can be used for evidence-based physical planning. The study also has implications for development of more efficient vision rehabilitation.

Carbohydrate-protein interactions investigated on plastic chips statically coated with hydrophobically modified hydroxyethylcellulose.

PubMed

Dang, Fuquan; Maeda, Eiki; Osafune, Tomo; Nakajima, Kazuki; Kakehi, Kazuaki; Ishikawa, Mitsuru; Baba, Yoshinobu

2009-12-15

We developed a novel method for rapid screening of carbohydrate-protein interactions using poly(methyl methacrylate) (PMMA) channels statically coated with hydrophobically modified hydroxyethylcellulose (HM-HEC). We found that a self-assembled monolayer (SAM) of HM-HEC on a PMMA surface intact by water allows rapid and reproducible separations of glycan samples using a 20 mM phosphate without HM-HEC. The underlying mechanism for dynamic and static coatings on the PMMA surface is discussed. Simultaneous analysis of the molecular interaction between a complex mixture of carbohydrates from alpha1-acid glycoprotein and proteins has been successfully achieved in PMMA channels statically coated with a SAM of HM-HEC.

Effects of Contaminated Fluids on Complex Moduli in Porous Rocks; Lab and Field.

NASA Astrophysics Data System (ADS)

Spetzler, H.; Snieder, R.; Zhang, J.

2006-12-01

The interaction between fluids and porous rocks has been measured in the laboratory and in a controlled field experiment. In the laboratory we measured the static and dynamic effect of various contaminated fluids on the wettability, capillary pressure and other flow properties on geometrically simple surfaces. The characteristics of the menisci were quantified by measuring the forces required to deform and move them. Rate dependent surface tension and contact angles describe the hysteresis of the contact line motion. Finally we used geometrically complex surfaces, i.e. real rocks, and observed similar behavior. Then we did a field experiment where we could controllably irrigate a test volume and observe changes in deformation. At low deformation rates, where viscous deformation of the fluid is negligible, the dynamic hystereses of menisci deformation become the dominant mechanism for changes in complex moduli of partially fluid saturated rocks. In the laboratory for contaminated samples we observe attenuation increasing from below 1 Hz to 1 mHz, the limit of our patience in making these measurements. In the field we used microseisms and solid Earth tides as low frequency deformation sources. In the case of the tides we compare changes in observed tilt with theoretical site specific tidal tilts. Preliminary theoretical modeling suggests that indeed small changes in the moduli should be observable in changes in tilt response. In this paper we present our laboratory results and the field data and analysis to date.

Protein Stains to Detect Antigen on Membranes.

PubMed

Dsouza, Anil; Scofield, R Hal

2015-01-01

Western blotting (protein blotting/electroblotting) is the gold standard in the analysis of complex protein mixtures. Electroblotting drives protein molecules from a polyacrylamide (or less commonly, of an agarose) gel to the surface of a binding membrane, thereby facilitating an increased availability of the sites with affinity for both general and specific protein reagents. The analysis of these complex protein mixtures is achieved by the detection of specific protein bands on a membrane, which in turn is made possible by the visualization of protein bands either by chemical staining or by reaction with an antibody of a conjugated ligand. Chemical methods employ staining with organic dyes, metal chelates, autoradiography, fluorescent dyes, complexing with silver, or prelabeling with fluorophores. All of these methods have differing sensitivities and quantitative determinations vary significantly. This review will describe the various protein staining methods applied to membranes after western blotting. "Detection" precedes and is a prerequisite to obtaining qualitative and quantitative data on the proteins in a sample, as much as to comparing the protein composition of different samples. "Detection" is often synonymous to staining, i.e., the reversible or irreversible binding by the proteins of a colored organic or inorganic chemical.

PEGylated Polyaniline Nanofibers: Antifouling and Conducting Biomaterial for Electrochemical DNA Sensing.

PubMed

Hui, Ni; Sun, Xiaotian; Niu, Shuyan; Luo, Xiliang

2017-01-25

Biofouling arising from nonspecific adsorption is a substantial outstanding challenge in diagnostics and disease monitoring, and antifouling sensing interfaces capable of reducing the nonspecific adsorption of proteins from biological complex samples are highly desirable. We present herein the preparation of novel composite nanofibers through the grafting of polyethylene glycol (PEG) polymer onto polyaniline (PANI) nanofibers and their application in the development of antifouling electrochemical biosensors. The PEGylated PANI (PANI/PEG) nanofibers possessed large surface area and remained conductive and at the same time demonstrated excellent antifouling performances in single protein solutions as well as complex human serum samples. Sensitive and low fouling electrochemical biosensors for the breast cancer susceptibility gene (BRCA1) can be easily fabricated through the attachment of DNA probes to the PANI/PEG nanofibers. The biosensor showed a very high sensitivity to target BRCA1 with a linear range from 0.01 pM to 1 nM and was also efficient enough to detect DNA mismatches with satisfactory selectivity. Moreover, the DNA biosensor based on the PEGylated PANI nanofibers supported the quantification of BRCA1 in complex human serum, indicating great potential of this novel biomaterial for application in biosensors and bioelectronics.

Dinuclear copper(II) octaazamacrocyclic complex in a PVC coated GCE and graphite as a voltammetric sensor for determination of gallic acid and antioxidant capacity of wine samples.

PubMed

Petković, B B; Stanković, D; Milčić, M; Sovilj, S P; Manojlović, D

2015-01-01

A novel efficient differential pulse voltammetric (DPV) method for determination gallic acid (GA) was developed by using an electrochemical sensor based on [Cu2tpmc](ClO4)4 immobilized in PVC matrix and coated on graphite (CGE) or classy carbon rod (CGCE). The proposed method is based on the gallic acid oxidation process at formed [Cu2tpmcGA](3+) complex at the electrode surface. The complexation was explored by molecular modeling and DFT calculations. Voltammograms for both sensors, recorded in a HNO3 as a supporting electrolyte at pH 2 and measured in 2.5×10(-7) to 1.0×10(-4) M of GA, resulted with two linear calibration curves (for higher and lower GA concentration range). The detection limit at CGE was 1.48×10(-7) M, while at CGCE was 4.6×10(-6) M. CGE was successfully applied for the determination of the antioxidant capacity based on GA equivalents for white, rosé and red wine samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Protein stains to detect antigen on membranes.

PubMed

D'souza, Anil; Scofield, R Hal

2009-01-01

Western blotting (protein blotting/electroblotting) is the gold standard in the analysis of complex protein mixtures. Electroblotting drives protein molecules from a polyacrylamide (or less commonly, of an agarose) gel to the surface of a binding membrane, thereby facilitating an increased availability of the sites with affinity for both general and specific protein reagents. The analysis of these complex protein mixtures is achieved by the detection of specific protein bands on a membrane, which in turn is made possible by the visualization of protein bands either by chemical staining or by reaction with an antibody of a conjugated ligand. Chemical methods employ staining with organic dyes, metal chelates, autoradiography, fluorescent dyes, complexing with silver, or prelabeling with fluorophores. All of these methods have differing sensitivities and quantitative determinations vary significantly. This review will describe the various protein staining methods applied to membranes after electrophoresis. "Detection" precedes and is a prerequisite to obtaining qualitative and quantitative data on the proteins in a sample, as much as to comparing the protein composition of different samples. Detection is often synonymous to staining, i.e., the reversible or irreversible binding by the proteins of a colored organic or inorganic chemical.

Desorption corona beam ionization source for mass spectrometry.

PubMed

Wang, Hua; Sun, Wenjian; Zhang, Junsheng; Yang, Xiaohui; Lin, Tao; Ding, Li

2010-04-01

A novel Desorption Corona Beam Ionization (DCBI) source for direct analysis of samples from surface in mass spectrometry is reported. The DCBI source can work under ambient conditions without time-consuming sample pretreatments. The source shares some common features with another ionization source - Direct Analysis in Real Time (DART), developed earlier. For example, helium was used as the discharge gas (although only corona discharge is involved in the present source), and heating of the discharge gas is required for sample desorption. However, the difference between the two sources is substantial. In the present source, a visible thin corona beam extending out around 1 cm can be formed by using a hollow needle/ring electrode structure. This feature would greatly facilitate localizing sampling areas and performing imaging/profiling experiments. The DCBI source is also capable of performing progressive temperature scans between room temperature and 450 degrees C in order to sequentially desorb samples from the surface and, therefore, to achieve a rough separation of the individual components in a complex mixture, resulting in less congestion in the mass spectrum acquired. Mass spectra for a broad range of compounds (pesticides, veterinary additives, OTC drugs, explosive materials) have been acquired using the DCBI source. For most of the compounds tested, the heater temperature required for efficient desorption is at least 150 degrees C. The molecular weight of the sample that can be desorbed/ionized is normally below 600 dalton even at the highest heater temperature, which is mainly limited by the volatility of the sample.

Science Enabling Exploration: Using LRO to Prepare for Future Missions

NASA Astrophysics Data System (ADS)

Lawrence, S.; Jolliff, B. L.; Stopar, J.; Speyerer, E. J.; Petro, N. E.

2016-12-01

Discoveries from LRO have transformed our understanding of the Moon (e. g., [1],[2],[3]), but LRO's instruments were originally designed to collect the measurements required to enable future lunar surface exploration [3]. A high lunar exploration priority is the collection of new samples and their return to Earth for comprehensive analysis [4]. The importance of sample return from South Pole-Aitken is well-established [Jolliff et al., this conference], but there are numerous other locations where sample return will yield important advances in planetary science. Using new LRO data, we have defined an achievability envelope based on the physical characteristics of successful lunar landing sites [5]. Those results were then used to define 1km x 1km regions of interest where sample return could be executed, including: the basalt flows in Oceanus Procellarum (22.1N, 53.9W), the Gruithuisen Domes (36.1N, 39.7W), the Dewar cryptomare (2.2S, 166.8E), the Aristarchus pyroclastic deposit (24.8N, 48.5W), the Sulpicius Gallus formation (19.9N, 10.3E), the Sinus Aestuum pyroclastic deposit (5.2N, 9.2W), the Compton-Belkovich volcanic complex (61.5N, 99.9E), the Ina Irregular Mare Patch (18.7N, 5.3E), and the Marius Hills volcanic complex (13.4N, 55.9W). All of these locations represent safe landing sites where sample returns are needed to advance our understanding of the evolution of the lunar interior and the timescales of lunar volcanism ([6], [7]). If LRO is still active when any future mission reaches the surface, LRO's capability to rapidly place surface activities into broader geologic context will provide operational advantages. LRO remains a unique strategic asset that continues to address the needs of future missions. References: [1] M. S. Robinson et al., Icarus, 252, 229-235, 2015. [2] S. E. Braden et al. Nat. Geosci., 7, 11, 787-791, 2014. [3] J. W. Keller et al. Icarus, 273, 2-24, 2016. [4] LEAG, Lunar Exploration Roadmap, 2011. [5] S. J. Lawrence et al., LPI Contrib. 1863, p. 2074, 2015 [6] C. K. Shearer et al., LPI Contrib. 1820, p. 3041, 2014. [7] S. J. Lawrence et al., LPI Contrib 1820, p. 3062, 2014

Spatial gradient of human health risk from exposure to trace elements and radioactive pollutants in soils at the Puchuncaví-Ventanas industrial complex, Chile.

PubMed

Salmani-Ghabeshi, S; Palomo-Marín, M R; Bernalte, E; Rueda-Holgado, F; Miró-Rodríguez, C; Cereceda-Balic, F; Fadic, X; Vidal, V; Funes, M; Pinilla-Gil, E

2016-11-01

The Punchuncaví Valley in central Chile, heavily affected by a range of anthropogenic emissions from a localized industrial complex, has been studied as a model environment for evaluating the spatial gradient of human health risk, which are mainly caused by trace elemental pollutants in soil. Soil elemental profiles in 121 samples from five selected locations representing different degrees of impact from the industrial source were used for human risk estimation. Distance to source dependent cumulative non-carcinogenic hazard indexes above 1 for children (max 4.4 - min 1.5) were found in the study area, ingestion being the most relevant risk pathway. The significance of health risk differences within the study area was confirmed by statistical analysis (ANOVA and HCA) of individual hazard index values at the five sampling locations. As was the dominant factor causing unacceptable carcinogenic risk levels for children (<10 -4 ) at the two sampling locations which are closer to the industrial complex, whereas the risk was just in the tolerable range (10 -6 - 10 -4 ) for children and adults in the rest of the sampling locations at the study area. Furthermore, we assessed gamma ray radiation external hazard indexes and annual effective dose rate from the natural radioactivity elements ( 226 Ra, 232 Th and 40 K) levels in the surface soils of the study area. The highest average values for the specific activity of 232 Th (31 Bq kg -1 ), 40 K (615 Bq kg - 1 ), and 226 Ra (25 Bq kg -1 ) are lower than limit recommended by OECD, so no significant radioactive risk was detected within the study area. In addition, no significant variability of radioactive risk was observed among sampling locations. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Monte Carlo approach applied to ultrasonic non-destructive testing

NASA Astrophysics Data System (ADS)

Mosca, I.; Bilgili, F.; Meier, T.; Sigloch, K.

2012-04-01

Non-destructive testing based on ultrasound allows us to detect, characterize and size discrete flaws in geotechnical and architectural structures and materials. This information is needed to determine whether such flaws can be tolerated in future service. In typical ultrasonic experiments, only the first-arriving P-wave is interpreted, and the remainder of the recorded waveform is neglected. Our work aims at understanding surface waves, which are strong signals in the later wave train, with the ultimate goal of full waveform tomography. At present, even the structural estimation of layered media is still challenging because material properties of the samples can vary widely, and good initial models for inversion do not often exist. The aim of the present study is to combine non-destructive testing with a theoretical data analysis and hence to contribute to conservation strategies of archaeological and architectural structures. We analyze ultrasonic waveforms measured at the surface of a variety of samples, and define the behaviour of surface waves in structures of increasing complexity. The tremendous potential of ultrasonic surface waves becomes an advantage only if numerical forward modelling tools are available to describe the waveforms accurately. We compute synthetic full seismograms as well as group and phase velocities for the data. We invert them for the elastic properties of the sample via a global search of the parameter space, using the Neighbourhood Algorithm. Such a Monte Carlo approach allows us to perform a complete uncertainty and resolution analysis, but the computational cost is high and increases quickly with the number of model parameters. Therefore it is practical only for defining the seismic properties of media with a limited number of degrees of freedom, such as layered structures. We have applied this approach to both synthetic layered structures and real samples. The former contributed to benchmark the propagation of ultrasonic surface waves in typical materials tested with a non-destructive technique (e.g., marble, unweathered and weathered concrete and natural stone).

A Monte Carlo approach applied to ultrasonic non-destructive testing

NASA Astrophysics Data System (ADS)

Mosca, I.; Bilgili, F.; Meier, T. M.; Sigloch, K.

2011-12-01

Non-destructive testing based on ultrasound allows us to detect, characterize and size discrete flaws in geotechnical and engineering structures and materials. This information is needed to determine whether such flaws can be tolerated in future service. In typical ultrasonic experiments, only the first-arriving P-wave is interpreted, and the remainder of the recorded waveform is neglected. Our work aims at understanding surface waves, which are strong signals in the later wave train, with the ultimate goal of full waveform tomography. At present, even the structural estimation of layered media is still challenging because material properties of the samples can vary widely, and good initial models for inversion do not often exist. The aim of the present study is to analyze ultrasonic waveforms measured at the surface of Plexiglas and rock samples, and to define the behaviour of surface waves in structures of increasing complexity. The tremendous potential of ultrasonic surface waves becomes an advantage only if numerical forward modelling tools are available to describe the waveforms accurately. We compute synthetic full seismograms as well as group and phase velocities for the data. We invert them for the elastic properties of the sample via a global search of the parameter space, using the Neighbourhood Algorithm. Such a Monte Carlo approach allows us to perform a complete uncertainty and resolution analysis, but the computational cost is high and increases quickly with the number of model parameters. Therefore it is practical only for defining the seismic properties of media with a limited number of degrees of freedom, such as layered structures. We have applied this approach to both synthetic layered structures and real samples. The former contributed to benchmark the propagation of ultrasonic surface waves in typical materials tested with a non-destructive technique (e.g., marble, unweathered and weathered concrete and natural stone).

Y-12 Groundwater Protection Program Groundwater Monitoring Data Compendium, Revision 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

This document is a compendium of water quality and hydrologic characterization data obtained through December 2005 from the network of groundwater monitoring wells and surface water sampling stations (including springs and building sumps) at the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee that have been sampled since January 2003. The primary objectives of this document, hereafter referenced as the Y-12 Groundwater Protection Program (GWPP) Compendium, are to: (1) Serve as a single-source reference for monitoring data that meet the requirements of the Y-12 GWPP, as defined in the Y-12 GWPP Management Plan (BWXTmore » Y-12 L.L.C. [BWXT] 2004); (2) Maintain a detailed analysis and evaluation of the monitoring data for each applicable well, spring, and surface water sampling station, with a focus on results for the primary inorganic, organic, and radiological contaminants in groundwater and surface water at Y-12; and (3) Ensure retention of ''institutional knowledge'' obtained over the long-term (>20-year) history of groundwater and surface water monitoring at Y-12 and the related sources of groundwater and surface water contamination. To achieve these goals, the Y-12 GWPP Compendium brings together salient hydrologic, geologic, geochemical, water-quality, and environmental compliance information that is otherwise disseminated throughout numerous technical documents and reports prepared in support of completed and ongoing environmental contamination assessment, remediation, and monitoring activities performed at Y-12. The following subsections provide background information regarding the overall scope and format of the Y-12 GWPP Compendium and the planned approach for distribution and revision (i.e., administration) of this ''living'' document.« less

Immunopathology of autoantibody-associated encephalitides: clues for pathogenesis.

PubMed

Bien, Christian G; Vincent, Angela; Barnett, Michael H; Becker, Albert J; Blümcke, Ingmar; Graus, Francesc; Jellinger, Kurt A; Reuss, David E; Ribalta, Teresa; Schlegel, Jürgen; Sutton, Ian; Lassmann, Hans; Bauer, Jan

2012-05-01

Classical paraneoplastic encephalitis syndromes with 'onconeural' antibodies directed to intracellular antigens, and the recently described paraneoplastic or non-paraneoplastic encephalitides and antibodies against both neural surface antigens (voltage-gated potassium channel-complexes, N-methyl-d-aspartate receptors) and intracellular antigens (glutamic acid decarboxylase-65), constitute an increasingly recognized group of immune-mediated brain diseases. Evidence for specific immune mechanisms, however, is scarce. Here, we report qualitative and quantitative immunopathology in brain tissue (biopsy or autopsy material) of 17 cases with encephalitis and antibodies to either intracellular (Hu, Ma2, glutamic acid decarboxylase) or surface antigenic targets (voltage-gated potassium channel-complex or N-methyl-d-aspartate receptors). We hypothesized that the encephalitides with antibodies against intracellular antigens (intracellular antigen-onconeural and intracellular antigen-glutamic acid decarboxylase groups) would show neurodegeneration mediated by T cell cytotoxicity and the encephalitides with antibodies against surface antigens would be antibody-mediated and would show less T cell involvement. We found a higher CD8/CD3 ratio and more frequent appositions of granzyme-B(+) cytotoxic T cells to neurons, with associated neuronal loss, in the intracellular antigen-onconeural group (anti-Hu and anti-Ma2 cases) compared to the patients with surface antigens (anti-N-methyl-d-aspartate receptors and anti-voltage-gated potassium channel complex cases). One of the glutamic acid decarboxylase antibody encephalitis cases (intracellular antigen-glutamic acid decarboxylase group) showed multiple appositions of GrB-positive T cells to neurons. Generally, however, the glutamic acid decarboxylase antibody cases showed less intense inflammation and also had relatively low CD8/CD3 ratios compared with the intracellular antigen-onconeural cases. Conversely, we found complement C9neo deposition on neurons associated with acute neuronal cell death in the surface antigen group only, specifically in the voltage-gated potassium channel-complex antibody patients. N-methyl-d-aspartate receptors-antibody cases showed no evidence of antibody and complement-mediated tissue injury and were distinguished from all other encephalitides by the absence of clear neuronal pathology and a low density of inflammatory cells. Although tissue samples varied in location and in the stage of disease, our findings strongly support a central role for T cell-mediated neuronal cytotoxicity in encephalitides with antibodies against intracellular antigens. In voltage-gated potassium channel-complex encephalitis, a subset of the surface antigen antibody encephalitides, an antibody- and complement-mediated immune response appears to be responsible for neuronal loss and cerebral atrophy; the apparent absence of these mechanisms in N-methyl-d-aspartate receptors antibody encephalitis is intriguing and requires further study.

Fluorescence-based proxies for lignin in freshwater dissolved organic matter

USGS Publications Warehouse

Hernes, Peter J.; Bergamaschi, Brian A.; Eckard, Robert S.; Spencer, Robert G.M.

2009-01-01

Lignin phenols have proven to be powerful biomarkers in environmental studies; however, the complexity of lignin analysis limits the number of samples and thus spatial and temporal resolution in any given study. In contrast, spectrophotometric characterization of dissolved organic matter (DOM) is rapid, noninvasive, relatively inexpensive, requires small sample volumes, and can even be measured in situ to capture fine-scale temporal and spatial detail of DOM cycling. Here we present a series of cross-validated Partial Least Squares models that use fluorescence properties of DOM to explain up to 91% of lignin compositional and concentration variability in samples collected seasonally over 2 years in the Sacramento River/San Joaquin River Delta in California, United States. These models were subsequently used to predict lignin composition and concentration from fluorescence measurements collected during a diurnal study in the San Joaquin River. While modeled lignin composition remained largely unchanged over the diurnal cycle, changes in modeled lignin concentrations were much greater than expected and indicate that the sensitivity of fluorescence-based proxies for lignin may prove invaluable as a tool for selecting the most informative samples for detailed lignin characterization. With adequate calibration, similar models could be used to significantly expand our ability to study sources and processing of DOM in complex surface water systems.

Host specificity and coevolution of Flavobacteriaceae endosymbionts within the siphonous green seaweed Bryopsis.

PubMed

Hollants, Joke; Leliaert, Frederik; Verbruggen, Heroen; De Clerck, Olivier; Willems, Anne

2013-06-01

The siphonous green seaweed Bryopsis harbors complex intracellular bacterial communities. Previous studies demonstrated that certain species form close, obligate associations with Flavobacteriaceae. A predominant imprint of host evolutionary history on the presence of these bacteria suggests a highly specialized association. In this study we elaborate on previous results by expanding the taxon sampling and testing for host-symbiont coevolution Therefore, we optimized a PCR protocol to directly and specifically amplify Flavobacteriaceae endosymbiont 16S rRNA gene sequences, which allowed us to screen a large number of algal samples without the need for cultivation or surface sterilization. We analyzed 146 Bryopsis samples, and 92 additional samples belonging to the Bryopsidales and other orders within the class Ulvophyceae. Results indicate that the Flavobacteriaceae endosymbionts are restricted to Bryopsis, and only occur within specific, warm-temperate and tropical clades of the genus. Statistical analyses (AMOVA) demonstrate a significant non-random host-symbiont association. Comparison of bacterial 16S rRNA and Bryopsis rbcL phylogenies, however, reveal complex host-symbiont evolutionary associations, whereby closely related hosts predominantly harbor genetically similar endosymbionts. Bacterial genotypes are rarely confined to a single Bryopsis species and most Bryopsis species harbored several Flavobacteriaceae, obscuring a clear pattern of coevolution. Copyright © 2013 Elsevier Inc. All rights reserved.

Tandem array of nanoelectronic readers embedded coplanar to a fluidic nanochannel for correlated single biopolymer analysis

PubMed Central

Lesser-Rojas, Leonardo; Sriram, K. K.; Liao, Kuo-Tang; Lai, Shui-Chin; Kuo, Pai-Chia; Chu, Ming-Lee; Chou, Chia-Fu

2014-01-01

We have developed a two-step electron-beam lithography process to fabricate a tandem array of three pairs of tip-like gold nanoelectronic detectors with electrode gap size as small as 9 nm, embedded in a coplanar fashion to 60 nm deep, 100 nm wide, and up to 150 μm long nanochannels coupled to a world-micro-nanofluidic interface for easy sample introduction. Experimental tests with a sealed device using DNA-protein complexes demonstrate the coplanarity of the nanoelectrodes to the nanochannel surface. Further, this device could improve transverse current detection by correlated time-of-flight measurements of translocating samples, and serve as an autocalibrated velocimeter and nanoscale tandem Coulter counters for single molecule analysis of heterogeneous samples. PMID:24753731

Removing Contamination-Induced Reconstruction Artifacts from Cryo-electron Tomograms

PubMed Central

Fernandez, Jose-Jesus; Laugks, Ulrike; Schaffer, Miroslava; Bäuerlein, Felix J.B.; Khoshouei, Maryam; Baumeister, Wolfgang; Lucic, Vladan

2016-01-01

Imaging of fully hydrated, vitrified biological samples by electron tomography yields structural information about cellular protein complexes in situ. Here we present a computational procedure that removes artifacts of three-dimensional reconstruction caused by contamination present in samples during imaging by electron microscopy. Applying the procedure to phantom data and electron tomograms of cellular samples significantly improved the resolution and the interpretability of tomograms. Artifacts caused by surface contamination associated with thinning by focused ion beam, as well as those arising from gold fiducial markers and from common, lower contrast contamination, could be removed. Our procedure is widely applicable and is especially suited for applications that strive to reach a higher resolution and involve the use of recently developed, state-of-the-art instrumentation. PMID:26743046

Free Flow Zonal Electrophoresis for Fractionation of Plant Membrane Compartments Prior to Proteomic Analysis.

PubMed

Barkla, Bronwyn J

2018-01-01

Free flow zonal electrophoresis (FFZE) is a versatile, reproducible, and potentially high-throughput technique for the separation of plant organelles and membranes by differences in membrane surface charge. It offers considerable benefits over traditional fractionation techniques, such as density gradient centrifugation and two-phase partitioning, as it is relatively fast, sample recovery is high, and the method provides unparalleled sample purity. It has been used to successfully purify chloroplasts and mitochondria from plants but also, to obtain highly pure fractions of plasma membrane, tonoplast, ER, Golgi, and thylakoid membranes. Application of the technique can significantly improve protein coverage in large-scale proteomics studies by decreasing sample complexity. Here, we describe the method for the fractionation of plant cellular membranes from leaves by FFZE.

In vitro and in vivo toxicities of sediment and surface water in an area near a major steel industry of Korea: endocrine disruption, reproduction, or survival effects combined with instrumental analysis.

PubMed

Kim, Sunmi; Lee, Sangwoo; Kim, Cheolmin; Liu, Xiaoshan; Seo, Jihyun; Jung, Hyorin; Ji, Kyunghee; Hong, Seongjin; Park, Jinsoon; Khim, Jong Seong; Yoon, Seokmin; Lee, Woojin; Park, Jeongim; Choi, Kyungho

2014-02-01

The influence of industrial and/or municipal contaminant inputs on the aquatic environment of Pohang, Korea was investigated, with a focus on bioassay combined with instrumental analysis. Pohang is the most heavily populated city in Gyeongsangbuk-do province of Korea, with more than half a million residents, and also hosts the nation's biggest steel manufacturer and related industries. Sediment (n=15) and surface water samples (n=17) were collected from Hyeongsan River which runs across the Pohang city, in two separate events, i.e., June 2010 and February 2011. Sediment samples were first Soxhlet-extracted (raw extract) and were measured for estrogenicity using H295R cell line, and also analyzed for alkylphenols (APs), bisphenol A (BPA), PAHs, and PCBs. For sediment samples which exhibited greatest effects in the cell line, further fractionation was performed into non-polar, mid-polar, and polar portions. In surface water samples, heavy metals were also analyzed. Among 15 sediment samples, station S2 near the steel industry complex and station M3 near the municipal area showed the greatest sex hormone changes, and these changes were generally explained by the fractions which contained APs and BPA. Principal component analysis (PCA) however suggests that chemicals that were not analyzed in the present study would better explain endocrine disruption capacity of sediments. In water samples, adverse effects on hatchability and growth of Japanese medaka fish, and on Daphnia reproduction were noted following exposure to six water samples collected from stations near industrial and municipal areas. Several heavy metals and nonylphenol (NP) concentrations exceeded surface water quality guidelines, suggesting adverse effects of contamination inputs from both industrial and municipal activities. Observed estrogenicities in stations such as S2 and M3 warrant further investigations on longer term ecosystem impacts near industrial and municipal areas. The levels of major organic chemicals in sediments are quite comparable to those reported in ~10 years ago, emphasizing a need for source control. © 2013 Elsevier B.V. All rights reserved.

A separable surface-enhanced Raman scattering substrate modified with MIL-101 for detection of overlapping and invisible compounds after thin-layer chromatography development.

PubMed

Zhang, Bin Bin; Shi, Yi; Chen, Hui; Zhu, Qing Xia; Lu, Feng; Li, Ying Wei

2018-01-02

By coupling surface-enhanced Raman spectroscopy (SERS) with thin-layer chromatography (TLC), a powerful method for detecting complex samples was successfully developed. However, in the TLC-SERS method, metal nanoparticles serving as the SERS-active substrate are likely to disturb the detection of target compounds, particularly in overlapping compounds after TLC development. In addition, the SERS detection of compounds that are invisible under both visible light and UV 254/365 after TLC development is still a significant challenge. In this study, we demonstrated a facile strategy to fabricate a TLC plate with metal-organic framework-modified gold nanoparticles as a separable SERS substrate, on which all separated components, including overlapping and invisible compounds, could be detected by a point-by-point SERS scan along the developing direction. Rhodamine 6G (R6G) was used as a probe to evaluate the performance of the substrate. The results indicated that the substrate provided good sensitivity and reproducibility, and optimal SERS signals could be collected in 5 s. Furthermore, this new substrate exhibited a long shelf life. Thus, our method has great potential for the sensitive and rapid detection of overlapping and invisible compounds in complex samples after TLC development. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Influence of the interaction between the inter- and intragranular magnetic responses in the analysis of the ac susceptibility of a granular FeSe0.5Te0.5 superconductor

NASA Astrophysics Data System (ADS)

Mancusi, D.; Polichetti, M.; Cimberle, M. R.; Pace, S.

2015-09-01

The temperature-dependent fundamental ac susceptibility of a granular superconductor in the absence of dc fields has been analyzed by developing a phenomenological model for effective magnetic fields, taking into account the influence of the magnetic interaction between the intergranular and the intragranular magnetizations due to demagnetizing effects. For this purpose a policrystal Fe-based superconductor FeSe0.5Te0.5 sample has been studied. By the frequency dependence of the peaks of the temperature-dependent imaginary part of the fundamental complex susceptibility, the dependence on temperature of the characteristic times both for intergranular and intragranular relaxations of magnetic flux are derived, and the corresponding relaxation processes due to combinations of the flux creep, the flux flow and the thermally activated flux flow regimes are identified on the basis of the effective magnetic fields both at the sample surface and at the grains’ surfaces. Such characteristic times, through the Havriliak-Negami function, determine the temperature and the frequency dependences of the complex susceptibility. The comparison of the numerically obtained curves with the experimental ones confirms the relevance, for identifying the intergranular and intragranular contributions to the ac magnetic response and the corresponding flux dynamical regimes, of the interaction between the intergranular and intragranular magnetizations due to demagnetizing effects.

Used tire recycling to produce granulates: evaluation of occupational exposure to chemical agents.

PubMed

Savary, Barbara; Vincent, Raymond

2011-10-01

Exposure was assessed in four facilities where used tires are turned into rubber granulates. Particulate exposure levels were measured using filter samples and gravimetric analysis. In parallel, volatile organic compounds (VOCs) screening was carried out using samples taken on activated carbon supports, followed by an analysis using a gas chromatograph coupled to a spectrometric detector. The exposure level medians are between 0.58 and 3.95 mg m(-3). Clogging of the textile fiber separation systems can lead to worker exposure; in this case, the measured concentrations can reach 41 mg m(-3). However, in contrast to the data in the literature, VOC levels >1 p.p.m. were not detected. The particulate mixtures deposited on the installation surfaces are complex; some of the chemical agents are toxic to humans. The results of this study indicate significant exposure to complex mixtures of rubber dust. Optimizing exhaust ventilation systems inside the shredders, with a cyclone for example, is essential for reducing the exposure of workers in this rapidly developing sector.

An Integrated Study on the Evolution of Inclusions in EH36 Shipbuilding Steel with Mg Addition: From Casting to Welding

NASA Astrophysics Data System (ADS)

Zou, Xiaodong; Zhao, Dapeng; Sun, Jincheng; Wang, Cong; Matsuura, Hiroyuki

2018-04-01

Inclusion evolution behaviors, in terms of composition, size, and number density, and associated influence on the microstructures of the as-cast slabs, rolled plates, and simulated welded samples of plain EH36 and EH36-Mg shipbuilding steels have been systematically investigated. The results indicate that the inclusions in the as-cast plain EH36 are almost Al-Ca-S-O-(Mn) complex oxides with sizes ranging from 1.0 to 2.0 μm. After Mg addition, a large amount of individually fine MnS precipitates and Mg-containing Ti-Al-Mg-O-(Mn-S) complex inclusions are generated, which significantly refine the microstructure and are conducive to the nucleation of acicular ferrite in the rolled and welded sample. Moreover, after rolling and welding thermal simulation, the number of individual MnS decreases gradually due to its precipitation on the surface of Ti-Al-Mg-O oxides.

Inferring HIV Escape Rates from Multi-Locus Genotype Data

DOE PAGES

Kessinger, Taylor A.; Perelson, Alan S.; Neher, Richard A.

2013-09-03

Cytotoxic T-lymphocytes (CTLs) recognize viral protein fragments displayed by major histocompatibility complex molecules on the surface of virally infected cells and generate an anti-viral response that can kill the infected cells. Virus variants whose protein fragments are not efficiently presented on infected cells or whose fragments are presented but not recognized by CTLs therefore have a competitive advantage and spread rapidly through the population. We present a method that allows a more robust estimation of these escape rates from serially sampled sequence data. The proposed method accounts for competition between multiple escapes by explicitly modeling the accumulation of escape mutationsmore » and the stochastic effects of rare multiple mutants. Applying our method to serially sampled HIV sequence data, we estimate rates of HIV escape that are substantially larger than those previously reported. The method can be extended to complex escapes that require compensatory mutations. We expect our method to be applicable in other contexts such as cancer evolution where time series data is also available.« less

Challenges associated with the sampling and analysis of organosulfur compounds in air using real-time PTR-ToF-MS and off-line GC-FID

NASA Astrophysics Data System (ADS)

Perraud, V.; Meinardi, S.; Blake, D. R.; Finlayson-Pitts, B. J.

2015-12-01

Organosulfur compounds (OSC) are naturally emitted via various processes involving phytoplankton and algae in marine regions, from animal metabolism and from biomass decomposition inland. These compounds are malodorant and reactive. Their oxidation to methanesulfonic and sulfuric acids leads to the formation and growth of atmospheric particles, which are known to have negative effects on visibility, climate and human health. In order to predict particle formation events, accurate measurements of the OSC precursors are essential. Here, two different approaches, proton-transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS) and canister sampling coupled with GC-FID are compared for both laboratory standards [dimethyl sulfide (DMS), dimethyl disulfide (DMDS), dimethyl trisulfide (DMTS) and methanethiol (MTO)] and for a complex sample. Results show that both techniques produce accurate quantification of DMS. While PTR-ToF-MS provides real-time measurements of all four OSCs individually, significant fragmentation of DMDS and DMTS occurs, which can complicate their identification in complex mixtures. Canister sampling coupled with GC-FID provides excellent sensitivity for DMS, DMDS and DMTS. However, MTO was observed to react on metal surfaces to produce DMDS and, in the presence of hydrogen sulfide, even DMTS. Avoiding metal in sampling systems seems to be necessary for measuring all but dimethyl sulfide in air.

Slaughterhouses Fungal Burden Assessment: A Contribution for the Pursuit of a Better Assessment Strategy

PubMed Central

Viegas, Carla; Faria, Tiago; dos Santos, Mateus; Carolino, Elisabete; Sabino, Raquel; Quintal Gomes, Anita; Viegas, Susana

2016-01-01

In slaughterhouses, the biological risk is present not only from the direct or indirect contact with animal matter, but also from the exposure to bioaerosols. Fungal contamination was already reported from the floors and walls of slaughterhouses. This study intends to assess fungal contamination by cultural and molecular methods in poultry, swine/bovine and large animal slaughterhouses. Air samples were collected through an impaction method, while surface samples were collected by the swabbing method and subjected to further macro- and micro-scopic observations. In addition, we collected air samples using the impinger method in order to perform real-time quantitative PCR (qPCR) amplification of genes from specific fungal species, namely A. flavus, A. fumigatus and A. ochraceus complexes. Poultry and swine/bovine slaughterhouses presented each two sampling sites that surpass the guideline of 150 CFU/m3. Scopulariopsis candida was the most frequently isolated (59.5%) in poultry slaughterhouse air; Cladosporium sp. (45.7%) in the swine/bovine slaughterhouse; and Penicillium sp. (80.8%) in the large animal slaughterhouse. Molecular tools successfully amplified DNA from the A. fumigatus complex in six sampling sites where the presence of this fungal species was not identified by conventional methods. This study besides suggesting the indicators that are representative of harmful fungal contamination, also indicates a strategy as a protocol to ensure a proper characterization of fungal occupational exposure. PMID:27005642

Geochemistry of the Birch Creek Drainage Basin, Idaho

USGS Publications Warehouse

Swanson, Shawn A.; Rosentreter, Jeffrey J.; Bartholomay, Roy C.; Knobel, LeRoy L.

2003-01-01

The U.S. Survey and Idaho State University, in cooperation with the U.S. Department of Energy, are conducting studies to describe the chemical character of ground water that moves as underflow from drainage basins into the eastern Snake River Plain aquifer (ESRPA) system at and near the Idaho National Engineering and Environmental Laboratory (INEEL) and the effects of these recharge waters on the geochemistry of the ESRPA system. Each of these recharge waters has a hydrochemical character related to geochemical processes, especially water-rock interactions, that occur during migration to the ESRPA. Results of these studies will benefit ongoing and planned geochemical modeling of the ESRPA at the INEEL by providing model input on the hydrochemical character of water from each drainage basin. During 2000, water samples were collected from five wells and one surface-water site in the Birch Creek drainage basin and analyzed for selected inorganic constituents, nutrients, dissolved organic carbon, tritium, measurements of gross alpha and beta radioactivity, and stable isotopes. Four duplicate samples also were collected for quality assurance. Results, which include analyses of samples previously collected from four other sites, in the basin, show that most water from the Birch Creek drainage basin has a calcium-magnesium bicarbonate character. The Birch Creek Valley can be divided roughly into three hydrologic areas. In the northern part, ground water is forced to the surface by a basalt barrier and the sampling sites were either surface water or shallow wells. Water chemistry in this area was characterized by simple evaporation models, simple calcite-carbon dioxide models, or complex models involving carbonate and silicate minerals. The central part of the valley is filled by sedimentary material and the sampling sites were wells that are deeper than those in the northern part. Water chemistry in this area was characterized by simple calcite-dolomite-carbon dioxide models. In the southern part, ground water enters the ESRPA. In this area, the sampling sites were wells with depths and water levels much deeper than those in the northern and central parts of the valley. The calcium and carbon water chemistry in this area was characterized by a simple calcite-carbon dioxide model, but complex calcite-silicate models more accurately accounted for mass transfer in these areas. Throughout the geochemical system, calcite precipitated if it was an active phase in the models. Carbon dioxide either precipitated (outgassed) or dissolved depending on the partial pressure of carbon dioxide in water from the modeled sites. Dolomite was an active phase only in models from the central part of the system. Generally the entire geochemical system could be modeled with either evaporative models, carbonate models, or carbonate-silicate models. In both of the latter types of models, a significant amount of calcite precipitated relative to the mass transfer to and from the other active phases. The amount of calcite precipitated in the more complex models was consistent with the amount of calcite precipitated in the simpler models. This consistency suggests that, although the simpler models can predict calcium and carbon concentrations in Birch Creek Valley ground and surface water, silicate-mineral-based models are required to account for the other constituents. The amount of mass transfer to and from the silicate mineral phases was generally small compared with that in the carbonate phases. It appears that the water chemistry of well USGS 126B represents the chemistry of water recharging the ESRPA by means of underflow from the Birch Creek Valley.

Assessment of materials commonly utilized in health care: implications for bacterial survival and transmission.

PubMed

Lankford, Mary G; Collins, Susan; Youngberg, Larry; Rooney, Denise M; Warren, John R; Noskin, Gary A

2006-06-01

Contaminated environmental surfaces, equipment, and health care workers' hands have been linked to outbreaks of infection or colonization because of vancomycin-resistant enterococci (VRE) and Pseudomonas aeruginosa (PSAE). Upholstery, walls, and flooring may enhance bacterial survival, providing infectious reservoirs. Investigate recovery of VRE and PSAE, determine efficacy of disinfection, and evaluate VRE transmission from surfaces. Upholstery, flooring, and wall coverings were inoculated with VRE and PSAE and assessed for recovery at 24 hours, 72 hours, and 7 days. Inoculated surfaces were cleaned utilizing manufacturers' recommendations of natural, commercial, or hospital-approved products and methods, and samples were obtained. To assess potential for transmission, volunteers touched VRE-inoculated surfaces and imprinted palms onto contact-impression plates. Twenty-four hours following inoculation, all surfaces had recovery of VRE; 13 (92.9%) of 14 surfaces had persistent PSAE. After cleaning, VRE was recovered from 7 (50%) surfaces, PSAE from 5 (35.7%) surfaces. After inoculation followed by palmar contact, VRE was recovered from all surfaces touched. Bacteria commonly encountered in hospitals are capable of prolonged survival and may promote cross transmission. Selection of surfaces for health care environments should include product application and complexity of manufacturers' recommendations for disinfection. Recovery of organisms on surfaces and hands emphasizes importance of hand hygiene compliance prior to patient contact.

3D Coda Attenuation Tomography of Acoustic Emission Data from Laboratory Samples as a tool for imaging pre-failure deformation mechanisms

NASA Astrophysics Data System (ADS)

Vinciguerra, S.; King, T. I.; Benson, P. M.; De Siena, L.

2017-12-01

In recent years, 3D and 4D seismic tomography have unraveled medium changes during the seismic cycle or before eruptive events. As our resolving power increases, however, complex structures increasingly affect images. Being able to interpret and understand these features requires a multi-discipline approach combining different methods, each sensitive to particular properties of the sub-surface. Rock deformation laboratory experiments can relate seismic properties to the evolving medium quantitatively. Here, an array of 1 MHz Piezo-Electric Transducers has recorded high-quality low-noise acoustic emission (AE) data during triaxial compressional experiments. Samples of Carrara Marble, Darley Dale Sandstone and Westerly Granite were deformed in saturated conditions representative of a depth of about 1 km until brittle failure. Using a time window around sample failure, AE data were filtered between 5 and 75 KHz and processed using a 3D P-coda attenuation-tomography method. Ratios of P-direct to P-coda energies calculated for each source-receiver path were inverted using the coda normalisation method for values of Q (P-wave quality factor). The results show Q-variation with respect to an average Q. Q is a combination of the effects of scattering attenuation (Qs) and intrinsic attenuation Q (Qi), which can be correlated to the sample structure. Qs primary controls energy dissipation in the presence at acoustic impedance (AI) surfaces and at fracture tips, independently of rock type, while pore fluid effects dissipate energy (Qi). Damaged zones appear as high-Q and low-Q anomalies in unsaturated and saturated samples, respectively. We have attributed frequency-dependent high-Q to resonance in the presence of AI surfaces. Low Q areas appear behind AI surfaces and are interpreted as energy shadows. These shadows can affect attenuation tomography imaging at field scale.

Influence of Oxychlorine Phases During the Pyrolysis of Organic Molecules: Implications for the Quest of Organics on Mars with the SAM Experiment Onboard the Curiosity Rover

NASA Technical Reports Server (NTRS)

Millan, M.; Szopa, C.; Buch, A.; Belmahdi, I.; Glavin, D. P.; Freissinet, C.; Eigenbrode, J. L.; Archer, P. D., Jr,; Sutter, B.; Mahaffy, P.

2017-01-01

One among the main objectives of the Sample Analysis at Mars (SAM) experiment is the in situ molecular analysis of gases evolving from solid samples heated up to approximately 850 degrees Centigrade, and collected by Curiosity on Mars surface/sub-surface in Gale crater. With this aim, SAM uses a gas-chromatograph coupled to a quadrupole mass spectrometer (GC-QMS) devoted to separate, detect and identify both volatile inorganic and organic compounds. SAM detected chlorinated organic molecules produced in evolved gas analysis (EGA) experiments. Several of these were also detected by the Viking experiments in 1976. SAM also detected oxychlorine compounds that were present at the Phoenix landing site. The oxychlorines may be prevelant over much of the martian surface. The C1 to C3 aliphatic chlorohydrocarbons (chloromethane and di- and trichloromethane) detected by SAM were attributed to reaction products occurring between the oxychlorines phases and the organic compounds coming from SAM instrument background. But SAM also showed the presence of a large excess of chlorobenzene and C2 to C4 dichloroalkanes among the volatile species released by the Cumberland sample of the Sheepbed mudstone. For the first time in the history of the Mars exploration, this proved the presence of Mars indigenous organic material at the Mars' surface. However, the identification of the precursor organic compounds of these chlorohydrocarbons is difficult due to the complexity of the reactions occurring during the sample pyrolysis. Laboratory pyrolysis experiments have demonstrated that oxychlorines phases such as perchlorates and chlorates, decomposed into dioxygen and volatile chlorine bearing molecules (HCl and/or Cl2) during the pyrolysis. These chemical species can then react with the organic molecules present in the martian solid samples through oxidation, chlorination and oxychlorination processes.

Nonylphenol and estrogenic activity in aquatic environmental samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanghe, T.; Devriese, G.; Verstraete, W.

1999-03-01

The authors surveyed a series of surface waters and sewage treatment plants in Flanders (north of Belgium) for the presence of estrogenic activity and a xeno-estrogenic compound para-nonylphenol (NP), respectively. The surface waters of rural origin, used for drinking water production were free of significant levels of estrogenic activity and NP. Domestic sewage, after proper treatment, appeared to be no major source of this chemical. Yet, in some industrial effluents and surface waters of highly industrialized regions, NP and/or estrogenic activity was prominent, that is, <1 to 122 {micro}g NP/L and 11 to 42 {micro}g NP/L, respectively. This is becausemore » of the ongoing use of NP polyethoxylates in industry. The response of the recombinant yeast estrogen assay to the environmental samples tested was not consistent with the detected concentrations of NP. Standard addition of a natural estrogen, 17{beta}-estradiol, generated no or a reduced response compared to the standard curve concentration. Application of humic acids to standard series of NP and 17{beta}-estradiol resulted in a dose-dependent decrease of the estrogenic response. It appears that this bioassay is subject to considerable interferences due to the complexity of environmental samples. Parallel implementation of extensive chemical screening for xenobiotics and use of the bioassay are needed for adequate assessment of the potential estrogenic hazard to avoid false negative evaluations.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

N /A

This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2006 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2006 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions aremore » in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2006 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT), and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., preparing SAPs, coordinating sample collection, and sharing data) ensures that the CY 2006 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and surface water sampling and analysis activities implemented under the Y-12 GWPP including sampling locations and frequency; quality assurance (QA)/quality control (QC) sampling; sample collection and handling; field measurements and laboratory analytes; data management and data quality objective (DQO) evaluation; and groundwater elevation monitoring. However, this report does not include equivalent information regarding the groundwater and surface water sampling and analysis activities associated with the monitoring programs implemented by BJC. Such details are deferred to the respective programmatic plans and reports issued by BJC (see Section 3.0). Collectively, the groundwater and surface water monitoring data obtained during CY 2006 by the Y-12 GWPP and BJC address DOE Order 450.1 (Environmental Protection Program) requirements for monitoring groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). Section 4 of this report presents a summary evaluation of the monitoring data with regard to the respective objectives of surveillance monitoring and exit pathway/perimeter monitoring, based on the analytical results for the principal groundwater and surface water contaminants at Y-12: nitrate, uranium, volatile organic compounds (VOCs), gross alpha activity, and gross beta activity. Section 5 of this report summarizes the most pertinent findings regarding the principal contaminants, along with recommendations proposed for ongoing groundwater and surface water quality monitoring performed under the Y-12 GWPP. Narrative sections of this report reference several appendices. Figures (maps and diagrams) and tables (excluding data summary tables presented in the narrative sections) are in Appendix A and Appendix B, respectively. Appendix C contains construction details for the wells in each regime that were sampled during CY 2006 by either the Y-12 GWPP or BJC. Field measurements recorded during collection of the groundwater and surface water samples and results of laboratory analyses of the samples are in Appendix D (Bear Creek Regime), Appendix E (East Fork Regime and surrounding areas), and Appendix F (Chestnut Ridge Regime). Appendix G contains data for the QA/QC samples associated with monitoring performed in each regime by the Y-12 GWPP.« less

Frictional behaviour of sandstone: A sample-size dependent triaxial investigation

NASA Astrophysics Data System (ADS)

Roshan, Hamid; Masoumi, Hossein; Regenauer-Lieb, Klaus

2017-01-01

Frictional behaviour of rocks from the initial stage of loading to final shear displacement along the formed shear plane has been widely investigated in the past. However the effect of sample size on such frictional behaviour has not attracted much attention. This is mainly related to the limitations in rock testing facilities as well as the complex mechanisms involved in sample-size dependent frictional behaviour of rocks. In this study, a suite of advanced triaxial experiments was performed on Gosford sandstone samples at different sizes and confining pressures. The post-peak response of the rock along the formed shear plane has been captured for the analysis with particular interest in sample-size dependency. Several important phenomena have been observed from the results of this study: a) the rate of transition from brittleness to ductility in rock is sample-size dependent where the relatively smaller samples showed faster transition toward ductility at any confining pressure; b) the sample size influences the angle of formed shear band and c) the friction coefficient of the formed shear plane is sample-size dependent where the relatively smaller sample exhibits lower friction coefficient compared to larger samples. We interpret our results in terms of a thermodynamics approach in which the frictional properties for finite deformation are viewed as encompassing a multitude of ephemeral slipping surfaces prior to the formation of the through going fracture. The final fracture itself is seen as a result of the self-organisation of a sufficiently large ensemble of micro-slip surfaces and therefore consistent in terms of the theory of thermodynamics. This assumption vindicates the use of classical rock mechanics experiments to constrain failure of pressure sensitive rocks and the future imaging of these micro-slips opens an exciting path for research in rock failure mechanisms.

Characterization of a new TiF(4) and β-cyclodextrin inclusion complex and its in vitro evaluation on inhibiting enamel demineralization.

PubMed

Nassur, Camila; Alexandria, Adílis Kalina; Pomarico, Luciana; de Sousa, Valeria Pereira; Cabral, Lúcio Mendes; Maia, Lucianne Cople

2013-03-01

Titanium tetrafluoride (TiF(4)) is an effective but instable caries preventive agent. As the stability problems could be minimized through the use of drug carriers this study aimed to prepare and characterize a new TiF(4) nanoinclusion complex and to evaluate its potential in inhibiting enamel demineralization under pH cycling conditions. The TiF(4) nanosystems were prepared using β-cyclodextrin (βCD) and sodium montmorillonite (MMTNa). Bovine enamel blocks (n=48) with known surface microhardness (SMH), were randomly assigned to 4 groups (n=12) and submitted to one of the following treatments: distilled deionized water (as negative control) and solutions containing 1% βCD, 1% TiF(4) and TiF(4):βCD. The solutions were blinded applied once on the blocks with a microbrush(®) on the surface for 1min before pH-cycling. After that, samples were reavaluated by SMH, %SMH loss, cross-sectional microhardness (CSMH), scanning electron microscope (SEM) and energy dispersive spectrometry (EDX). The inclusion complex of TiF(4):βCD offered better protection against demineralization in the subsurface. The SEM analysis showed that TiF(4) and TiF(4):βCD samples presented the most intact enamel than the control. The EDX analysis identified titanium in TiF(4) and TiF(4):βCD groups. TiF(4):βCD has higher potential on inhibiting demineralization in the inner enamel. TiF(4):βCD is a new alternative to TiF(4) stabilization in order to reduce enamel subsurface demineralization. Copyright © 2012 Elsevier Ltd. All rights reserved.

Preliminary study of the effect of the turbulent flow field around complex surfaces on their acoustic characteristics

NASA Technical Reports Server (NTRS)

Olsen, W. A.; Boldman, D.

1978-01-01

Fundamental theories for noise generated by flow over surfaces exist for only a few simple configurations. The role of turbulence in noise generation by complex surfaces should be essentially the same as for simple configurations. Examination of simple-surface theories indicates that the spatial distributions of the mean velocity and turbulence properties are sufficient to define the noise emission. Measurements of these flow properties were made for a number of simple and complex surfaces. The configurations were selected because of their acoustic characteristics are quite different. The spatial distribution of the turbulent flow properties around the complex surfaces and approximate theory are used to locate and describe the noise sources, and to qualitatively explain the varied acoustic characteristics.

CePt2In7: Shubnikov-de Haas measurements on micro-structured samples under high pressures

NASA Astrophysics Data System (ADS)

Kanter, J.; Moll, P.; Friedemann, S.; Alireza, P.; Sutherland, M.; Goh, S.; Ronning, F.; Bauer, E. D.; Batlogg, B.

2014-03-01

CePt2In7 belongs to the CemMnIn3 m + 2 n heavy fermion family, but compared to the Ce MIn5 members of this group, exhibits a more two dimensional electronic structure. At zero pressure the ground state is antiferromagnetically ordered. Under pressure the antiferromagnetic order is suppressed and a superconducting phase is induced, with a maximum Tc above a quantum critical point around 31 kbar. To investigate the changes in the Fermi Surface and effective electron masses around the quantum critical point, Shubnikov-de Haas measurements were conducted under high pressures in an anvil cell. The samples were micro-structured and contacted using a Focused Ion Beam (FIB). The Focused Ion Beam enables sample contacting and structuring down to a sub-micrometer scale, making the measurement of several samples with complex shapes and multiple contacts on a single anvil feasible.

Spatial and layer-controlled variability in fracture networks

NASA Astrophysics Data System (ADS)

Procter, Andrew; Sanderson, David J.

2018-03-01

Topological sampling, based on 1) node counting and 2) circular sampling areas, is used to measure fracture intensity in surface exposures of a layered limestone/shale sequence in north Somerset, UK. This method provides similar levels of precision as more traditional line samples, but is about 10 times quicker and allows characterization of the network topology. Georeferencing of photographs of the sample sites allows later analysis of trace lengths and orientations, and identification of joint set development. ANOVA tests support a complex interaction of within-layer, between-layer and between-location variability in fracture intensity, with the different layers showing anomalous intensity at different locations. This variation is not simply due to bed thickness, nor can it be related to any obvious compositional or textural variation between the limestone beds. These results are used to assess approaches to the spatial mapping of fracture intensity.

A Multi-Decadal Sample Return Campaign Will Advance Lunar and Solar System Science and Exploration by 2050

NASA Technical Reports Server (NTRS)

Neal, C. R.; Lawrence, S. J.

2017-01-01

There have been 11 missions to the Moon this century, 10 of which have been orbital, from 5 different space agencies. China became the third country to successfully soft-land on the Moon in 2013, and the second to successfully remotely operate a rover on the lunar surface. We now have significant global datasets that, coupled with the 1990s Clementine and Lunar Prospector missions, show that the sample collection is not representative of the lithologies present on the Moon. The M3 data from the Indian Chandrayaan-1 mission have identified lithologies that are not present/under-represented in the sample collection. LRO datasets show that volcanism could be as young as 100 Ma and that significant felsic complexes exist within the lunar crust. A multi-decadal sample return campaign is the next logical step in advancing our understanding of lunar origin and evolution and Solar System processes.

On plate graphite supported sample processing for simultaneous lipid and protein identification by matrix assisted laser desorption ionization mass spectrometry.

PubMed

Calvano, Cosima Damiana; van der Werf, Inez Dorothé; Sabbatini, Luigia; Palmisano, Francesco

2015-05-01

The simultaneous identification of lipids and proteins by matrix assisted laser desorption ionization-mass spectrometry (MALDI-MS) after direct on-plate processing of micro-samples supported on colloidal graphite is demonstrated. Taking advantages of large surface area and thermal conductivity, graphite provided an ideal substrate for on-plate proteolysis and lipid extraction. Indeed proteins could be efficiently digested on-plate within 15 min, providing sequence coverages comparable to those obtained by conventional in-solution overnight digestion. Interestingly, detection of hydrophilic phosphorylated peptides could be easily achieved without any further enrichment step. Furthermore, lipids could be simultaneously extracted/identified without any additional treatment/processing step as demonstrated for model complex samples such as milk and egg. The present approach is simple, efficient, of large applicability and offers great promise for protein and lipid identification in very small samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Simulation of Particle Size Effect on Dynamic Properties and Fracture of PTFE-W-Al Composites

NASA Astrophysics Data System (ADS)

Herbold, Eric; Cai, Jing; Benson, David; Nesterenko, Vitali

2007-06-01

Recent investigations of the dynamic compressive strength of cold isostatically pressed (CIP) composites of polytetrafluoroethylene (PTFE), tungsten and aluminum powders show significant differences depending on the size of metallic particles. PTFE and aluminum mixtures are known to be energetic under dynamic and thermal loading. The addition of tungsten increases density and overall strength of the sample. Multi-material Eulerian and arbitrary Lagrangian-Eulerian methods were used for the investigation due to the complexity of the microstructure, relatively large deformations and the ability to handle the formation of free surfaces in a natural manner. The calculations indicate that the observed dependence of sample strength on particle size is due to the formation of force chains under dynamic loading in samples with small particle sizes even at larger porosity in comparison with samples with large grain size and larger density.

Surface Plasmon Resonance imaging-based sensing for anti-bovine immunoglobulins detection in human milk and serum.

PubMed

Scarano, S; Scuffi, C; Mascini, M; Minunni, M

2011-11-30

Only few papers deal with Surface Plasmon Resonance imaging (SPRi) direct detection on complex matrices, limiting the biosensor application to real analytical problems. In this work a SPRi biosensor for anti-bovine IgG detection in untreated human bodily fluids, i.e. diluted human serum and milk, was developed. Enhanced levels of cow's milk antibodies in children's serum are suspected for their possible correlation with Type 1 diabetes during childhood and their detection in real samples was up to now performed by classical immunoassays based on indirect detection. The biosensor was optimised in standard samples and then in untreated human milk for anti-bovine IgG direct detection. The key novelty of the work is the evaluation of matrix effect by applying to real samples an experimental and ex ante method previously developed for SPRi signal sampling in standard solutions, called "Data Analyzer"; it punctually visualises and analyses the behaviour of receptor spots of the array, to select only spot areas with the best specific vs. unspecific signal values. In this way, benefits provide by SPRi image analysis are exploited here to quantify and minimise drawbacks due to the matrix effect, allowing to by-pass every matrix pre-treatment except dilution. Copyright © 2011 Elsevier B.V. All rights reserved.

Laser Ablation Surface-Enhanced Raman Spectroscopy (LA-SERS) for the Characterization of Organic Colorants in Cultural Heritage

NASA Astrophysics Data System (ADS)

Londero, Pablo

The characterization of artistic practice throughout history often requires measurements of material composition with microscopic resolution, either due to the fine detail of the material composition or to the amount of sample available. This problem is exacerbated for the detection of organic colorants, which are often embedded in a complex matrix (e.g. oil, natural fibers) and in low concentration due to their high tinting strength. Surface-Enhanced Raman Spectroscopy (SERS) is increasingly used in detection of organic colorants in cultural heritage due to its high sensitivity and inherent preferential sensitivity to small organic molecules. This talk will discuss recent results from a new SERS measurement technique, in which laser ablation is used as a micro-sampling method onto a SERS-active film to characterize art samples with microscopic precision and sensitivity comparable to many mass spectrometry measurements. Furthermore, the nature of the sampling method provides built-in benefits to other SERS-based techniques, such as more quantitative characterization of mixtures, improved sensitivity to some analytes, and reduced background interference. Examples will be shown for measurements of reference materials and art objects, including a restored 16th-century dish and a Renaissance fresco, The Incredulity of San Thomas, by Luca Signorelli. Supported by the National Science Foundation (NSF-CHE-1402750).

Real-time pathogen monitoring during enrichment: a novel nanotechnology-based approach to food safety testing.

PubMed

Weidemaier, Kristin; Carruthers, Erin; Curry, Adam; Kuroda, Melody; Fallows, Eric; Thomas, Joseph; Sherman, Douglas; Muldoon, Mark

2015-04-02

We describe a new approach for the real-time detection and identification of pathogens in food and environmental samples undergoing culture. Surface Enhanced Raman Scattering (SERS) nanoparticles are combined with a novel homogeneous immunoassay to allow sensitive detection of pathogens in complex samples such as stomached food without the need for wash steps or extensive sample preparation. SERS-labeled immunoassay reagents are present in the cultural enrichment vessel, and the signal is monitored real-time through the wall of the vessel while culture is ongoing. This continuous monitoring of pathogen load throughout the enrichment process enables rapid, hands-free detection of food pathogens. Furthermore, the integration of the food pathogen immunoassay directly into the enrichment vessel enables fully biocontained food safety testing, thereby significantly reducing the risk of contaminating the surrounding environment with enriched pathogens. Here, we present experimental results showing the detection of E. coli, Salmonella, or Listeria in several matrices (raw ground beef, raw ground poultry, chocolate milk, tuna salad, spinach, brie cheese, hot dogs, deli turkey, orange juice, cola, and swabs and sponges used to sample a stainless steel surface) using the SERS system and demonstrate the accuracy of the approach compared to plating results. Copyright © 2014 Elsevier B.V. All rights reserved.

Multiplexed Colorimetric Solid-Phase Extraction

NASA Technical Reports Server (NTRS)

Gazda, Daniel B.; Fritz, James S.; Porter, Marc D.

2009-01-01

Multiplexed colorimetric solid-phase extraction (MC-SPE) is an extension of colorimetric solid-phase extraction (C-SPE) an analytical platform that combines colorimetric reagents, solid phase extraction, and diffuse reflectance spectroscopy to quantify trace analytes in water. In CSPE, analytes are extracted and complexed on the surface of an extraction membrane impregnated with a colorimetric reagent. The analytes are then quantified directly on the membrane surface using a handheld diffuse reflectance spectrophotometer. Importantly, the use of solid-phase extraction membranes as the matrix for impregnation of the colorimetric reagents creates a concentration factor that enables the detection of low concentrations of analytes in small sample volumes. In extending C-SPE to a multiplexed format, a filter holder that incorporates discrete analysis channels and a jig that facilitates the concurrent operation of multiple sample syringes have been designed, enabling the simultaneous determination of multiple analytes. Separate, single analyte membranes, placed in a readout cartridge create unique, analyte-specific addresses at the exit of each channel. Following sample exposure, the diffuse reflectance spectrum of each address is collected serially and the Kubelka-Munk function is used to quantify each water quality parameter via calibration curves. In a demonstration, MC-SPE was used to measure the pH of a sample and quantitate Ag(I) and Ni(II).

First in-flight synchrotron X-ray absorption and photoemission study of carbon soot nanoparticles

PubMed Central

Ouf, F.-X.; Parent, P.; Laffon, C.; Marhaba, I.; Ferry, D.; Marcillaud, B.; Antonsson, E.; Benkoula, S.; Liu, X.-J.; Nicolas, C.; Robert, E.; Patanen, M.; Barreda, F.-A.; Sublemontier, O.; Coppalle, A.; Yon, J.; Miserque, F.; Mostefaoui, T.; Regier, T. Z.; Mitchell, J.-B. A.; Miron, C.

2016-01-01

Many studies have been conducted on the environmental impacts of combustion generated aerosols. Due to their complex composition and morphology, their chemical reactivity is not well understood and new developments of analysis methods are needed. We report the first demonstration of in-flight X-ray based characterizations of freshly emitted soot particles, which is of paramount importance for understanding the role of one of the main anthropogenic particulate contributors to global climate change. Soot particles, produced by a burner for several air-to-fuel ratios, were injected through an aerodynamic lens, focusing them to a region where they interacted with synchrotron radiation. X-ray photoelectron spectroscopy and carbon K-edge near-edge X-ray absorption spectroscopy were performed and compared to those obtained for supported samples. A good agreement is found between these samples, although slight oxidation is observed for supported samples. Our experiments demonstrate that NEXAFS characterization of supported samples provides relevant information on soot composition, with limited effects of contamination or ageing under ambient storage conditions. The highly surface sensitive XPS experiments of airborne soot indicate that the oxidation is different at the surface as compared to the bulk probed by NEXAFS. We also report changes in soot’s work function obtained at different combustion conditions. PMID:27883014

First in-flight synchrotron X-ray absorption and photoemission study of carbon soot nanoparticles.

PubMed

Ouf, F-X; Parent, P; Laffon, C; Marhaba, I; Ferry, D; Marcillaud, B; Antonsson, E; Benkoula, S; Liu, X-J; Nicolas, C; Robert, E; Patanen, M; Barreda, F-A; Sublemontier, O; Coppalle, A; Yon, J; Miserque, F; Mostefaoui, T; Regier, T Z; Mitchell, J-B A; Miron, C

2016-11-24

Many studies have been conducted on the environmental impacts of combustion generated aerosols. Due to their complex composition and morphology, their chemical reactivity is not well understood and new developments of analysis methods are needed. We report the first demonstration of in-flight X-ray based characterizations of freshly emitted soot particles, which is of paramount importance for understanding the role of one of the main anthropogenic particulate contributors to global climate change. Soot particles, produced by a burner for several air-to-fuel ratios, were injected through an aerodynamic lens, focusing them to a region where they interacted with synchrotron radiation. X-ray photoelectron spectroscopy and carbon K-edge near-edge X-ray absorption spectroscopy were performed and compared to those obtained for supported samples. A good agreement is found between these samples, although slight oxidation is observed for supported samples. Our experiments demonstrate that NEXAFS characterization of supported samples provides relevant information on soot composition, with limited effects of contamination or ageing under ambient storage conditions. The highly surface sensitive XPS experiments of airborne soot indicate that the oxidation is different at the surface as compared to the bulk probed by NEXAFS. We also report changes in soot's work function obtained at different combustion conditions.

Hydrologic connections between environmental and societal change at the Bonneville Salt Flats, Utah

NASA Astrophysics Data System (ADS)

Bowen, B. B.; Harman, C. J.; Kipnis, E. L.; Liu, T.; Bernau, J. A.; Horel, J.

2017-12-01

The Bonneville Salt Flats (BSF) is an ephemeral and valued salt pan in northwestern Utah where a century of land speed racing and potash mining have created a complex and intertwined social and hydrologic system. The character of BSF changes on daily, weekly, monthly, annual, and geologic time scales in response to fluctuations in water balance, solute flux, and groundwater flow which is impacted by both local meteorology and water management associated with potash mining. In addition, the texture of the salt surface is changed by land use including racing activities, which impacts water fluxes through the crust. Ongoing research is focused on characterizing physical changes in the BSF environment and attributing observed changes in the landscape to specific processes and drivers. Five years of field observations and sampling, analyses of satellite imagery dating back the 1980s, and geochemical analysis of surface brines have shown that spatiotemporal changes in surface water and fluctuations in the surface salt footprint are linked to both climate and land use. Climate data over the last 30 years are examined to identify annual patterns in surface water balance at BSF to identify annual and seasonal climate constraints on flooding, evaporation, and desiccation cycles. A new weather station installed in the Fall of 2016 in the middle of BSF allows for unprecedented analyses of halite surface dynamics. Spatiotemporally dispersed stable isotope analyses of BSF surface brine samples constrain brine sources and evolution. An understanding of the processes that change the surface composition and texture through time inform interpretation of subsurface saline deposits at BSF. The wide range of temporal and spatial scales of observation help to guide to best management practices of this iconic natural resource.

Simulation of Ejecta Production and Mixing Process of Sn Sample under shock loading

NASA Astrophysics Data System (ADS)

Wang, Pei; Chen, Dawei; Sun, Haiquan; Ma, Dongjun

2017-06-01

Ejection may occur when a strong shock wave release at the free surface of metal material and the ejecta of high-speed particulate matter will be formed and further mixed with the surrounding gas. Ejecta production and its mixing process has been one of the most difficult problems in shock physics remain unresolved, and have many important engineering applications in the imploding compression science. The present paper will introduce a methodology for the theoretical modeling and numerical simulation of the complex ejection and mixing process. The ejecta production is decoupled with the particle mixing process, and the ejecta state can be achieved by the direct numerical simulation for the evolution of initial defect on the metal surface. Then the particle mixing process can be simulated and resolved by a two phase gas-particle model which uses the aforementioned ejecta state as the initial condition. A preliminary ejecta experiment of planar Sn metal Sample has validated the feasibility of the proposed methodology.

Postmortem analysis of sand grain crushing from pile interface using X-ray tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, I. Matias; Combe, Gaeel; Foray, Pierre

2013-06-18

Pile foundations of offshore platforms, wind and water turbines are typically subjected to a variety of cyclic loading paths due to their complex environment. While many studies focus on global pile behaviour, the soil-pile interface is explored here by a micromechanical study of the soil layer in contact with the pile surface. This work is devoted to the analysis of frozen post-mortem silica sand samples recovered at the pile interface following installation and cyclic loading tests in a calibration chamber using x-ray tomography. An experimental procedure developed for three dimensional (3D) snow imaging was adapted for the recovery of themore » in-situ sand samples to preserve their structure during tomography scans. 3D images at a pixel size of 7 {mu}m were then obtained using a cryogenic cell. Results confirm the presence of a shear band at the pile surface as well as void ratios changes in the direction of the pile's radius.« less

Nanostructured solid substrates for efficient laser desorption/ionization mass spectrometry (LDI-MS) of low molecular weight compounds.

PubMed

Silina, Yuliya E; Volmer, Dietrich A

2013-12-07

Analytical applications often require rapid measurement of compounds from complex sample mixtures. High-speed mass spectrometry approaches frequently utilize techniques based on direct ionization of the sample by laser irradiation, mostly by means of matrix-assisted laser desorption/ionization (MALDI). Compounds of low molecular weight are difficult to analyze by MALDI, however, because of severe interferences in the low m/z range from the organic matrix used for desorption/ionization. In recent years, surface-assisted laser desorption/ionization (SALDI) techniques have shown promise for small molecule analysis, due to the unique properties of nanostructured surfaces, in particular, the lack of a chemical background in the low m/z range and enhanced production of analyte ions by SALDI. This short review article presents a summary of the most promising recent developments in SALDI materials for MS analysis of low molecular weight analytes, with emphasis on nanostructured materials based on metals and semiconductors.

Results of the Komplast experiment on the long-term exposure of materials specimens on the ISS surface

NASA Astrophysics Data System (ADS)

Shumov, A. E.; Novikov, L. S.; Shaevich, S. K.; Aleksandrov, N. G.; Smirnova, T. N.; Nikishin, E. F.; Chernik, V. N.; Petukhov, V. P.; Voronina, E. N.; Sedov, V. V.; Salnikova, I. A.; Babaevskiy, P. G.; Kozlov, N. A.; Deev, I. S.; Startsev, O. V.; Shindo, D. J.; Golden, J. L.; Kravchenko, M.

2015-11-01

The Komplast materials experiment was designed by Khrunichev State Research and Production Space Center together with Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University and other Russian scientific institutes, and has been carried out by Mission Control Moscow since 1998. The purpose of this experiment is to study the complex effect of the low Earth orbit environment on samples of various spacecraft materials. On November 20, 1998 the Komplast experiment began with the launch of the first International Space Station module Zarya, or Functional Cargo Block (FGB). Eight Komplast panels with samples of materials and sensors were installed on the outer surface of FGB module. Two of eight experiment panels were retrieved during Russian extravehicular activity in February 2011 after 12 years of space exposure and were subsequently returned to Earth by Space Shuttle "Discovery" on the STS-133/ULF-5 mission in March 2011. The article presents the results obtained from this unique long-duration experiment on board of the International Space Station.

A Sol-gel Integrated Dual-readout Microarray Platform for Quantification and Identification of Prostate-specific Antigen.

PubMed

Lee, SangWook; Lee, Jong Hyun; Kwon, Hyuck Gi; Laurell, Thomas; Jeong, Ok Chan; Kim, Soyoun

2018-01-01

Here, we report a sol-gel integrated affinity microarray for on-chip matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) that enables capture and identification of prostate?specific antigen (PSA) in samples. An anti-PSA antibody (H117) was mixed with a sol?gel, and the mixture was spotted onto a porous silicon (pSi) surface without additional surface modifications. The antibody easily penetrates the sol-gel macropore fluidic network structure, making possible high affinities. To assess the capture affinity of the platform, we performed a direct assay using fluorescein isothiocyanate-labeled PSA. Pure PSA was subjected to on-chip MALDI-TOF-MS analysis, yielding three clear mass peptide peaks (m/z = 1272, 1407, and 1872). The sol-gel microarray platform enables dual readout of PSA both fluorometric and MALDI-TOF MS analysis in biological samples. Here we report a useful method for a means for discovery of biomarkers in complex body fluids.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, A. A.; Hesjedal, T.; Diamond Light Source, Didcot OX11 0DE

We present a miniaturized molecular beam epitaxy (miniMBE) system with an outer diameter of 206 mm, optimized for flexible and high-throughput operation. The three-chamber system, used here for oxide growth, consists of a sample loading chamber, a storage chamber, and a growth chamber. The growth chamber is equipped with eight identical effusion cell ports with linear shutters, one larger port for either a multi-pocket electron beam evaporator or an oxygen plasma source, an integrated cryoshroud, retractable beam-flux monitor or quartz-crystal microbalance, reflection high energy electron diffraction, substrate manipulator, main shutter, and quadrupole mass spectrometer. The system can be combined withmore » ultrahigh vacuum (UHV) end stations on synchrotron and neutron beamlines, or equivalently with other complex surface analysis systems, including low-temperature scanning probe microscopy systems. Substrate handling is compatible with most UHV surface characterization systems, as the miniMBE can accommodate standard surface science sample holders. We introduce the design of the system, and its specific capabilities and operational parameters, and we demonstrate the epitaxial thin film growth of magnetoelectric Cr{sub 2}O{sub 3} on c-plane sapphire and ferrimagnetic Fe{sub 3}O{sub 4} on MgO (001)« less