MOLA-Based Landing Site Characterization

NASA Technical Reports Server (NTRS)

Duxbury, T. C.; Ivanov, A. B.

2001-01-01

The Mars Global Surveyor (MGS) Mars Orbiter Laser Altimeter (MOLA) data provide the basis for site characterization and selection never before possible. The basic MOLA information includes absolute radii, elevation and 1 micrometer albedo with derived datasets including digital image models (DIM's illuminated elevation data), slopes maps and slope statistics and small scale surface roughness maps and statistics. These quantities are useful in downsizing potential sites from descent engineering constraints and landing/roving hazard and mobility assessments. Slope baselines at the few hundred meter level and surface roughness at the 10 meter level are possible. Additionally, the MOLA-derived Mars surface offers the possibility to precisely register and map project other instrument datasets (images, ultraviolet, infrared, radar, etc.) taken at different resolution, viewing and lighting geometry, building multiple layers of an information cube for site characterization and selection. Examples of direct MOLA data, data derived from MOLA and other instruments data registered to MOLA arc given for the Hematite area.

Influence of porous texture and surface chemistry on the CO₂ adsorption capacity of porous carbons: acidic and basic site interactions.

PubMed

Sánchez-Sánchez, Angela; Suárez-García, Fabián; Martínez-Alonso, Amelia; Tascón, Juan M D

2014-12-10

Doped porous carbons exhibiting highly developed porosity and rich surface chemistry have been prepared and subsequently applied to clarify the influence of both factors on carbon dioxide capture. Nanocasting was selected as synthetic route, in which a polyaramide precursor (3-aminobenzoic acid) was thermally polymerized inside the porosity of an SBA-15 template in the presence of different H3PO4 concentrations. The surface chemistry and the porous texture of the carbons could be easily modulated by varying the H3PO4 concentration and carbonization temperature. Porous texture was found to be the determinant factor on carbon dioxide adsorption at 0 °C, while surface chemistry played an important role at higher adsorption temperatures. We proved that nitrogen functionalities acted as basic sites and oxygen and phosphorus groups as acidic ones toward adsorption of CO2 molecules. Among the nitrogen functional groups, pyrrolic groups exhibited the highest influence, while the positive effect of pyridinic and quaternary functionalities was smaller. Finally, some of these N-doped carbons exhibit CO2 heats of adsorption higher than 42 kJ/mol, which make them excellent candidates for CO2 capture.

Hazardous Waste Site Analysis (Small Site Technology)

DTIC Science & Technology

1990-08-01

Act HSRT - Hazardous Substance Response Trust (Superfund Trust) HSWA - Hdzardeus and Solid Waste Amendments (to RCRA) NAAQSD - National Ambient Air...impoundments (basically, any area where hazardous substances are located). * Under CERCLA, "Environment" includes surface and groundwater, ambient air, land...34 provisions with permit requirements for new source construction). " Ambient Air Quality standards (NAAQs) have been issued for six "criteria" pollutants

Removal of bromide and iodide anions from drinking water by silver-activated carbon aerogels.

PubMed

Sánchez-Polo, M; Rivera-Utrilla, J; Salhi, E; von Gunten, U

2006-08-01

The aim of this study is to analyze the use of Ag-doped activated carbon aerogels for bromide and iodide removal from drinking water and to study how the activation of Ag-doped aerogels affects their behavior. It has been observed that the carbonization treatment and activation process of Ag-doped aerogels increased the surface area value ( [Formula: see text] ), whereas the volume of meso-(V(2)) and macropores (V(3)) decreased slightly. Chemical characterization of the materials revealed that carbonization and especially activation process considerably increased the surface basicity of the sample. Original sample (A) presented acidic surface properties (pH(PZC)=4.5) with 21% surface oxygen, whereas the sample that underwent activation showed mainly basic surface chemical properties (pH(PZC)=9.5) with only 6% of surface oxygen. Carbonization and especially, activation process considerable increased the adsorption capacity of bromide and iodide ions. This would mainly be produced by (i) an increase in the microporosity of the sample, which increases Ag-adsorption sites available to halide anions, and (ii) a rise of the basicity of the sample, which produces an increase in attractive electrostatic interactions between the aerogel surface, positively charged at the working pH (pH(solution)

Active Oxygen Vacancy Site for Methanol Synthesis from CO2 Hydrogenation on In2O3(110): A DFT Study

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

Ye, Jingyun; Liu, Changjun; Mei, Donghai

2013-06-03

Methanol synthesis from CO2 hydrogenation on the defective In2O3(110) surface with surface oxygen vacancies has been investigated using periodic density functional theory calculations. The relative stabilities of six possible surface oxygen vacancies numbered from Ov1 to Ov6 on the perfect In2O3(110) surface were examined. The calculated oxygen vacancy formation energies show that the D1 surface with the Ov1 defective site is the most thermodynamically favorable while the D4 surface with the Ov4 defective site is the least stable. Two different methanol synthesis routes from CO2 hydrogenation over both D1 and D4 surfaces were studied and the D4 surface was foundmore » to be more favorable for CO2 activation and hydrogenation. On the D4 surface, one of the O atoms of the CO2 molecule fills in the Ov4 site upon adsorption. Hydrogenation of CO2 to HCOO on the D4 surface is both thermodynamically and kinetically favorable. Further hydrogenation of HCOO involves both forming the C-H bond and breaking the C-O bond, resulting in H2CO and hydroxyl. The HCOO hydrogenation is slightly endothermic with an activation barrier of 0.57 eV. A high barrier of 1.14 eV for the hydrogenation of H2CO to H3CO indicates that this step is the rate-limiting step in the methanol synthesis on the defective In2O3(110) surface. We gratefully acknowledge the supports from the National Natural Science Foundation of China (#20990223) and from US Department of Energy, Basic Energy Science program (DE-FG02-05ER46231). D. Mei was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The computations were performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at Pacific Northwest National Laboratory in Richland, Washington. PNNL is a multiprogram national laboratory operated for DOE by Battelle.« less

A Study of Ziegler–Natta Propylene Polymerization Catalysts by Spectroscopic Methods

PubMed Central

Tkachenko, Olga P.; Kucherov, Alexey V.; Kustov, Leonid M.; Virkkunen, Ville; Leinonen, Timo; Denifl, Peter

2017-01-01

Ziegler–Natta polymerization catalysts were characterized by a complex of surface- and bulk-sensitive methods (DRIFTS, XPS, ESR, and XAS = XANES + EXAFS). A diffuse-reflectance Fourier-transform IR spectroscopy (DRIFTS) study showed the presence of strong Lewis acid sites in different concentrations and absence of strong basic sites in the polymerization catalysts. X-ray photoelectron spectroscopy (XPS), electron-spin resonance (ESR), and (X-ray absorption near-edge structure (XANES) analysis revealed the presence of Ti4+, Ti3+, Ti2+, and Ti1+ species in the surface layers and in the bulk of catalysts. The samples under study differ drastically in terms of the number of ESR-visible paramagnetic sites. The EXAFS study shows the presence of a Cl atom as a nearest neighbor of the absorbing Ti atom. PMID:28772850

Crew systems and architectural considerations for first lunar surface return missions

NASA Astrophysics Data System (ADS)

Winisdoerffer, F.; Ximenes, S.

1992-08-01

The design requirements for the habitability of the pressurized volumes of a typical first manned lander are presented. Attention is given to providing dual habitation/exploration services (EVA/IVA), supporting the separation of the surface/flight functions, allowing growth potential based on site characteristics, and in situ resources utilization. Lunar lander conceptual diagrams are provided for the basic system architecture, automatic cargo delivery, the piloted crew module, and the pressurized volumes.

Effect of chitosan and cationic starch on the surface chemistry properties of bagasse paper.

PubMed

Ashori, Alireza; Cordeiro, Nereida; Faria, Marisa; Hamzeh, Yahya

2013-07-01

The use of non-wood fibers in the paper industry has been an economical and environmental necessity. The application of dry-strength agents has been a successful method to enhance the strength properties of paper. The experimental results evidencing the potential of chitosan and cationic starch utilization in bagasse paper subjected to hot water pre-extraction has been presented in this paper. The research analyzes the surface properties alterations due to these dry-strength agents. Inverse gas chromatography was used to evaluate the properties of surface chemistry of the papers namely the surface energy, active sites, surface area as well as the acidic/basic character. The results of the study revealed that the handsheets process causes surface arrangement and orientation of chemical groups, which induce a more hydrophobic and basic surface. The acid-base surface characteristics after the addition of dry-strength agents were the same as the bagasse handsheets with and without hot water pre-extraction. The results showed that the dry-strength agent acts as a protecting film or glaze on the surfaces of bagasse paper handsheets. Copyright © 2013 Elsevier B.V. All rights reserved.

GIS Toolsets for Planetary Geomorphology and Landing-Site Analysis

NASA Astrophysics Data System (ADS)

Nass, Andrea; van Gasselt, Stephan

2015-04-01

Modern Geographic Information Systems (GIS) allow expert and lay users alike to load and position geographic data and perform simple to highly complex surface analyses. For many applications dedicated and ready-to-use GIS tools are available in standard software systems while other applications require the modular combination of available basic tools to answer more specific questions. This also applies to analyses in modern planetary geomorphology where many of such (basic) tools can be used to build complex analysis tools, e.g. in image- and terrain model analysis. Apart from the simple application of sets of different tools, many complex tasks require a more sophisticated design for storing and accessing data using databases (e.g. ArcHydro for hydrological data analysis). In planetary sciences, complex database-driven models are often required to efficiently analyse potential landings sites or store rover data, but also geologic mapping data can be efficiently stored and accessed using database models rather than stand-alone shapefiles. For landings-site analyses, relief and surface roughness estimates are two common concepts that are of particular interest and for both, a number of different definitions co-exist. We here present an advanced toolset for the analysis of image and terrain-model data with an emphasis on extraction of landing site characteristics using established criteria. We provide working examples and particularly focus on the concepts of terrain roughness as it is interpreted in geomorphology and engineering studies.

p-Chlorophenol adsorption on activated carbons with basic surface properties

NASA Astrophysics Data System (ADS)

Lorenc-Grabowska, Ewa; Gryglewicz, Grażyna; Machnikowski, Jacek

2010-05-01

The adsorption of p-chlorophenol (PCP) from aqueous solution on activated carbons (ACs) with basic surface properties has been studied. The ACs were prepared by two methods. The first method was based on the modification of a commercial CWZ AC by high temperature treatment in an atmosphere of ammonia, nitrogen and hydrogen. The second approach comprised the carbonization followed by activation of N-enriched polymers and coal tar pitch using CO 2 and steam as activation agent. The resultant ACs were characterized in terms of porous structure, elemental composition and surface chemistry (pH PZC, acid/base titration, XPS). The adsorption of PCP was carried out from an aqueous solution in static conditions. Equilibrium adsorption isotherm was of L2 type for polymer-based ACs, whereas L3-type isotherm was observed for CWZ ACs series. The Langmuir monolayer adsorption capacity was related to the porous structure and the amount of basic sites. A good correlation was found between the adsorption capacity and the volume of micropores with a width < 1.4 nm for polymer-based ACs. Higher nitrogen content, including that in basic form, did not correspond to the enhanced adsorption of PCP from aqueous solution. The competitive effect of water molecule adsorption on the PCP uptake is discussed.

Seismic Hazard Assessment for the Baku City and Absheron Peninsula, Azerbaijan

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

Babayev, Gulam R.

2006-03-23

This paper deals with the seismic hazard assessment for Baku and the Absheron peninsula. The assessment is based on the information on the features of earthquake ground motion excitation, seismic wave propagation (attenuation), and site effect. I analyze active faults, seismicity, soil and rock properties, geological cross-sections, the borehole data of measured shear-wave velocity, lithology, amplification factor of each geological unit, geomorphology, topography, and basic rock and surface ground motions. To estimate peak ground acceleration (PGA) at the surface, PGA at the basic rock is multiplied by the amplification parameter of each surface layers. Quaternary soft deposits, representing a highmore » risk due to increasing PGA values at surface, are studied in detail. For a near-zone target earthquake PGA values are compared to intensity at MSK-64 scale for the Absheron peninsula. The amplification factor for the Baku city is assessed and provides estimations for a level of a seismic motion and seismic intensity of the studied area.« less

Shape Effect Undermined by Surface Reconstruction: Ethanol Dehydrogenation over Shape-Controlled SrTiO 3 Nanocrystals

DOE PAGES

Foo, Guo Shiou; Hood, Zachary D.; Wu, Zili

2017-12-05

For this research, to gain an in-depth understanding of the surface properties relevant for catalysis using ternary oxides, we report the acid–base pair reactivity of shape-controlled SrTiO 3 (STO) nanocrystals for the dehydrogenation of ethanol. Cubes, truncated cubes, dodecahedra, and etched cubes of STO with varying ratios of (001) and (110) crystal facets were synthesized using a hydrothermal method. Low-energy ion scattering (LEIS) analysis revealed that the (001) surface on cubes of STO is enriched with SrO due to surface reconstruction, resulting in a high ratio of strong base sites. Chemical treatment with dilute nitric acid to form etched cubesmore » of STO resulted in a surface enriched with Ti cations and strong acidity. Furthermore, the strength and distribution of surface acidic sites increase with the ratio of (110) facet from cubes to truncated cubes to dodecahedra for STO. Kinetic, isotopic, and spectroscopy methods show that the dehydrogenation of ethanol proceeds through the facile dissociation of the alcohol group, followed by the cleavage of the C α–H bond, which is the rate-determining step. Co-feeding of various probe molecules during catalysis, such as NH 3, 2,6-di-tert-butylpyridine, CO 2, and SO 2, reveals that a pair of Lewis acid site and basic surface oxygen atom is involved in the dehydrogenation reaction. The surface density of acid–base site pairs was measured using acetic acid as a probe molecule, allowing initial acetaldehyde formation turnover rates to be obtained. Comparison among various catalysts reveals no simple correlation between ethanol turnover rate and the percentage of either surface facet ((001) or (110)) of the STO nanocrystals. Instead, the reaction rate is found to increase with the strength of acid sites but reversely with the strength of base sites. The acid–base property is directly related to the surface composition as a result from different surface reconstruction behaviors of the shaped STO nanocrystals. Lastly, the finding in this work underscores the importance of characterizing the top surface compositions and sites properties when assessing the catalytic performance of shape-controlled complex oxides such as perovskites.« less

Shape Effect Undermined by Surface Reconstruction: Ethanol Dehydrogenation over Shape-Controlled SrTiO 3 Nanocrystals

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

Foo, Guo Shiou; Hood, Zachary D.; Wu, Zili

For this research, to gain an in-depth understanding of the surface properties relevant for catalysis using ternary oxides, we report the acid–base pair reactivity of shape-controlled SrTiO 3 (STO) nanocrystals for the dehydrogenation of ethanol. Cubes, truncated cubes, dodecahedra, and etched cubes of STO with varying ratios of (001) and (110) crystal facets were synthesized using a hydrothermal method. Low-energy ion scattering (LEIS) analysis revealed that the (001) surface on cubes of STO is enriched with SrO due to surface reconstruction, resulting in a high ratio of strong base sites. Chemical treatment with dilute nitric acid to form etched cubesmore » of STO resulted in a surface enriched with Ti cations and strong acidity. Furthermore, the strength and distribution of surface acidic sites increase with the ratio of (110) facet from cubes to truncated cubes to dodecahedra for STO. Kinetic, isotopic, and spectroscopy methods show that the dehydrogenation of ethanol proceeds through the facile dissociation of the alcohol group, followed by the cleavage of the C α–H bond, which is the rate-determining step. Co-feeding of various probe molecules during catalysis, such as NH 3, 2,6-di-tert-butylpyridine, CO 2, and SO 2, reveals that a pair of Lewis acid site and basic surface oxygen atom is involved in the dehydrogenation reaction. The surface density of acid–base site pairs was measured using acetic acid as a probe molecule, allowing initial acetaldehyde formation turnover rates to be obtained. Comparison among various catalysts reveals no simple correlation between ethanol turnover rate and the percentage of either surface facet ((001) or (110)) of the STO nanocrystals. Instead, the reaction rate is found to increase with the strength of acid sites but reversely with the strength of base sites. The acid–base property is directly related to the surface composition as a result from different surface reconstruction behaviors of the shaped STO nanocrystals. Lastly, the finding in this work underscores the importance of characterizing the top surface compositions and sites properties when assessing the catalytic performance of shape-controlled complex oxides such as perovskites.« less

Highly porous organic polymers bearing tertiary amine group and their exceptionally high CO{sub 2} uptake capacities

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

Gomes, Ruth; Bhaumik, Asim, E-mail: msab@iacs.res.in

2015-02-15

We report a very simple and unique strategy for synthesis of a tertiary amine functionalized high surface area porous organic polymer (POP) PDVTA-1 through the co-polymerization of monomers divinylbenzene (DVB) and triallylamine (TAA) under solvothermal reaction conditions. Two different PDVTA-1 samples have been synthesized by varying the molar ratio of the monomers. The porous polymeric materials have been thoroughly characterized by solid state {sup 13}C CP MAS-NMR, FT-IR and UV–vis spectroscopy, N{sub 2} sorption, HR TEM and FE SEM to understand its chemical environment, nanostructure, bonding, morphology and related surface properties. PDVTA-1 with higher amine content (DVB/TAA=4.0) showed exceptionally highmore » CO{sub 2} uptake capacity of 85.8 wt% (19.5 mmol g{sup −1}) at 273 K and 43.69 wt% (9.93 mmol g{sup −1}) at 298 K under 3 bar pressure, whereas relatively low amine loaded material (DVB/TAA=7.0) shows uptake capacity of 59.2 wt% (13.45 mmol g{sup −1}) at 273 K and 34.36 wt% (7.81 mmol g{sup −1}) at 298 K. Highly porous nanostructure together with very high surface area and basicity at the surface due to the presence of abundant basic tertiary amine N-sites in the framework of PDVTA-1 could be responsible for very high CO{sub 2} adsorption. - Graphical abstract: Exceptionally high CO2 uptake (85.8 wt % at 273 K) has been observed over a high surface area porous organic polymer PDVTA-1 synthesized through copolymerization of divinylbenzene and triallyl amine. - Highlights: • Designing the synthesis of a new N-rich cross-linked porous organic polymer PDVTA-1. • PDVTA-1 showed mesoporosity with very high surface area of 903 m{sup 2} g{sup −1}. • High surface area and presence of basic sites facilitates the CO{sub 2} uptake. • PDVTA-1 showed exceptionally high CO{sub 2} adsorption capacity of 85.8 wt% at 273 K, 3 bar pressure.« less

Adsorption of 6-mercaptopurine and 6-mercaptopurine riboside on silver colloid: a pH dependent surface enhanced Raman spectroscopy and density functional theory study. Part I. 6-Mercaptopurine

NASA Astrophysics Data System (ADS)

Szeghalmi, A. V.; Leopold, L.; Pînzaru, S.; Chis, V.; Silaghi-Dumitrescu, I.; Schmitt, M.; Popp, J.; Kiefer, W.

2005-02-01

Surface enhanced Raman spectroscopy (SERS) on silver colloid has been applied to characterize the interaction of 6-mercaptopurine (6MP), an active drug used in chemotherapy of acute lymphoblastic leukemia, with a model biological substrate at therapeutical concentrations and as function of the pH value. The adsorption active sites and molecular orientation on the metal surface have been determined on the basis of SERS 'surface selection rules' subsequent to a detailed vibrational analysis of the 6MP tautomeric forms. Therefore, DFT calculations (vibrational wavenumbers, Raman scattering activities, partial atomic charges) of the optimized tautomers and potential energy distribution calculations have been performed. Around neutral pH value reorientation of the molecule has been observed. Under basic conditions the 6MP molecule is probably adsorbed on the silver colloid through the N1 atom of the purine ring and possibly the S atom, and adopts a tilted orientation to the surface. A reduction in the number of adsorbed molecules under basic conditions is proposed, since the SERS spectrum recorded at 10-6 M concentration at neutral pH value resembles the SERS spectra obtained under basic conditions at 10-5 M concentration. At acidic pH values a stronger interaction through the N9 and N3 atoms is suggested with an end-on orientation.

Water-quality assessment of south-central Texas: Occurrence and distribution of volatile organic compounds in surface water and ground water, 1983-94, and implications for future monitoring

USGS Publications Warehouse

Ging, P.B.; Judd, L.J.; Wynn, K.H.

1997-01-01

The study area of the South-Central Texas study unit of the National Water-Quality Assessment Program comprises the Edwards aquifer in the San Antonio region and its catchment area. The first phase of the assessment includes evaluation of existing water-quality data for surface water and ground water, including volatile organic compounds, to determine the scope of planned monitoring. Most analyses of volatile organic compounds in surface water are from the National Pollutant Discharge Elimination System sites in San Antonio, Texas. Nine volatile organic compounds were detected at the six sites. The three compounds with the most detections at National Pollutant Discharge Elimination System sites are 1,2,4-trimethylbenzene, toluene, and xylene. Analysis of volatile organic compounds in ground water was limited to Edwards aquifer wells. Twenty-eight volatile organic compounds were detected in samples from 89 wells. The five most commonly detected compounds in samples from wells, in descending order, are tetrachloroethene, trichloroethene, bromoform, chloroform, and dibromochloromethane. Detections of volatile organic compounds in surface water and ground water within the South-Central Texas study area are limited to site-specific sources associated with development; therefore, planned monitoring for possible detections of volatile organic compounds as part of the National Water-Quality Assessment Program will emphasize areas of expanding population and development. Monitoring of volatile organic compounds is planned at National Pollutant Discharge Elimination System sites, at basic fixed surface-water sites, and in the ground-water study-unit surveys.

On the adsorption/reaction of acetone on pure and sulfate-modified zirconias.

PubMed

Crocellà, Valentina; Cerrato, Giuseppina; Morterra, Claudio

2013-08-28

In situ FTIR spectroscopy was employed to investigate some aspects of the ambient temperature (actually, IR-beam temperature) adsorption of acetone on various pure and sulfate-doped zirconia specimens. Acetone uptake yields, on all examined systems and to a variable extent, different types of specific molecular adsorption, depending on the kind/population of available surface sites: relatively weak H-bonding interaction(s) with surface hydroxyls, medium-strong coordinative interaction with Lewis acidic sites, and strong H-bonding interaction with Brønsted acidic centres. Moreover acetone, readily and abundantly adsorbed in molecular form, is able to undergo the aldol condensation reaction (yielding, as the main reaction product, adsorbed mesityl oxide) only if the adsorbing material possesses some specific surface features. The occurrence/non-occurrence of the acetone self-condensation reaction is discussed, and leads to conclusions concerning the sites that catalyze the condensation reaction that do not agree with either of two conflicting interpretations present in the literature of acetone uptake/reaction on, mainly, zeolitic systems. In particular, what turns out to be actually necessary for the acetone aldol condensation reaction to occur on the examined zirconia systems is the presence of coordinatively unsaturated O(2-) surface sites of basicity sufficient to lead to the extraction of a proton from one of the CH3 groups of adsorbed acetone.

Chapter 19: Catalysis by Metal Carbides and Nitrides

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

Schaidle, Joshua A; Nash, Connor P; Yung, Matthew M

Early transition metal carbides and nitrides (ETMCNs), materials in which carbon or nitrogen occupies interstitial sites within a parent metal lattice, possess unique physical and chemical properties that motivate their use as catalysts. Specifically, these materials possess multiple types of catalytic sites, including metallic, acidic, and basic sites, and as such, exhibit reactivities that differ from their parent metals. Moreover, their surfaces are dynamic under reaction conditions. This chapter reviews recent (since 2010) experimental and computational investigations into the catalytic properties of ETMCN materials for applications including biomass conversion, syngas and CO2 upgrading, petroleum and natural gas refining, and electrocatalyticmore » energy conversion, energy storage, and chemicals production, and attempts to link catalyst performance to active site identity/surface structure in order to elucidate the present level of understanding of structure-function relationships for these materials. The chapter concludes with a perspective on leveraging the unique properties of these materials to design and develop improved catalysts through a dedicated, multidisciplinary effort.« less

Molecular Characterization of the Gas-Particle Interface of Soot Sampled from a Diesel Engine Using a Titration Method.

PubMed

Tapia, A; Salgado, M S; Martín, María Pilar; Lapuerta, M; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

2016-03-15

Surface functional groups of two different types of combustion aerosols, a conventional diesel (EN 590) and a hydrotreated vegetable oil (HVO) soot, have been investigated using heterogeneous chemistry (i.e., gas-particle surface reactions). A commercial sample of amorphous carbon (Printex XE2-B) was analyzed as a reference substrate. A Knudsen flow reactor was used to carry out the experiments under molecular flow conditions. The selected gases for the titration experiments were: N(CH3)3 for the identification of acidic sites, NH2OH for the presence of carbonyl groups, CF3COOH and HCl for basic sites of different strength, and O3 and NO2 for reducing groups. Reactivity with N(CH3)3 indicates a lower density of acidic functionalities for Printex XE2-B in relation to diesel and HVO soot. Results for NH2OH experiments indicates that commercial amorphous carbon exhibits a lower abundance of available carbonyl groups at the interface compared to the results from diesel and HVO soot, the latter being the one with the largest abundance of carbonyl functions. Reactions with acids indicate the presence of weak basic oxides on the particle surface that preferentially interact with the strong acid CF3COOH. Finally, reactions with O3 and NO2 reveal that diesel and especially HVO have a significantly higher reactivity with both oxidizers compared to that of Printex XE2-B because they have more reducing sites by roughly a factor of 10 and 30, respectively. The kinetics of titration reactions have also been investigated.

Nanostructure-Directed Chemical Sensing: The IHSAB Principle and the Effect of Nitrogen and Sulfur Functionalization on Metal Oxide Decorated Interface Response

PubMed Central

Laminack, William I.; Gole, James L.

2013-01-01

The response matrix, as metal oxide nanostructure decorated n-type semiconductor interfaces are modified in situ through direct amination and through treatment with organic sulfides and thiols, is demonstrated. Nanostructured TiO2, SnOx, NiO and CuxO (x = 1,2), in order of decreasing Lewis acidity, are deposited to a porous silicon interface to direct a dominant electron transduction process for reversible chemical sensing in the absence of significant chemical bond formation. The metal oxide sensing sites can be modified to decrease their Lewis acidity in a process appearing to substitute nitrogen or sulfur, providing a weak interaction to form the oxynitrides and oxysulfides. Treatment with triethylamine and diethyl sulfide decreases the Lewis acidity of the metal oxide sites. Treatment with acidic ethane thiol modifies the sensor response in an opposite sense, suggesting that there are thiol (SH) groups present on the surface that provide a Brønsted acidity to the surface. The in situ modification of the metal oxides deposited to the interface changes the reversible interaction with the analytes, NH3 and NO. The observed change for either the more basic oxynitrides or oxysulfides or the apparent Brønsted acid sites produced from the interaction of the thiols do not represent a simple increase in surface basicity or acidity, but appear to involve a change in molecular electronic structure, which is well explained using the recently developed inverse hard and soft acids and bases (IHSAB) model. PMID:28348345

The temperature characteristics of biological active period of the peat soils of Bakchar swamp

NASA Astrophysics Data System (ADS)

Kiselev, M. V.; Dyukarev, E. A.; Voropay, N. N.

2018-01-01

The results of the study of the peculiarities of the temperature regime in the five basic ecosystems of oligotrophic bogs in the south taiga zone of Western Siberia in 2011-2016 are presented. The soil temperature regime was studied using the atmospheric-soil measuring complex at different depths from surface to 240 cm. All sites were divided into two groups according the bog water level: flooded sites (hollow and open fen) and drained sites (ridge, tall and low ryam). Waterlogged sites are better warmed in the summer period, and slowly freeze in the winter period. The analysis of the annual cycle of temperature showed that the maximum surface temperature is observed in July. The minimum temperature on the surface observed in February or January. The greatest temperature gradient was recorded in the upper 2 cm layer. The gradient at the open fen was -2 °C·cm-1 in February and 1.1 °C·cm-1 in October. The peak of formation of the seasonally frozen layer occurs at the end of autumn, beginning of winter. The degradation of the seasonally frozen layer was observed both from top and bottom, but degradation from the top is faster.

Oxidative coupling of methane over SrO deposited on different commercial supports precoated with La{sub 2}O{sub 3}

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

Choudhary, V.R.; Mulla, S.A.R.; Uphade, B.S.

1998-06-01

The influence of catalyst carrier or support (with different chemical compositions and surface properties), catalyst deposition method (viz., impregnation and coating), precursor for strontium oxide (SrO; Sr-nitrate, acetate, hydroxide, and carbonate), and loading of SrO and lanthanum oxide (La{sub 2}O{sub 3}; 0--25 wt%) on the surface properties and performance of catalyst in oxidative coupling of methane (OCM; at 850 C, gas hourly space velocity = 1.02 {times} 10{sup 5} cm{sup 3}/g{center_dot}h and CH{sub 4}/O{sub 2} = 4 or 16) was thoroughly investigated. The basicity, acidity, and O{sub 2} chemisorption of the catalysts were studied by the temperature programmed desorption (TPD)more » of CO{sub 2}, NH{sub 3}, and O{sub 2}, respectively, from 50 to 950 C. The total and strong basic sites, acidity, and OCM activity of the supported catalyst were strongly influenced by the support used and also by the La{sub 2}O{sub 3} loading on the support. The catalyst with a sintered low surface area porous silica-Alumina support and high (20 wt%) La{sub 2}O{sub 3} and SrO loadings showed the best performance in the OCM process. The OCM activity was influenced by SrO loading, but to a smaller extent, and also by the method of SrO deposition. The OCM activity of the supported catalysts could be related to their strong basic sites (measured in terms of the CO{sub 2} desorbed between 500 and 950 C).« less

Activity of titania and zeolite samples dosed with triethylamine

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

Baker, Caitlin; Gole, James L.; Brauer, Jonathan

2016-01-01

Certain properties of titania and the ammonium- and proton-form of Y zeolites (silica/alumina ratio of 5.2) were explored before and after treatment by triethylamine (TEA). The effect of the triethylamine upon the physical and chemical properties of both titania and the zeolite were characterized by physical and chemical adsorption methods. BET surface area data showed enhanced surface area of the TEA-treated nanotitania over the untreated nanotitania whereas the TEA-treated zeolite showed a considerable decrease in surface area compared to the untreated zeolite. TPD of the TEA-treated Y zeolite showed that weakly adsorbed TEA left the surface between 150 and 300more » oC; strongly adsorbed TEA decomposed to ethylene and ammonia at higher temperatures. XPS, IR, and Raman spectroscopies, powder XRD, and 27Al MAS-NMR spectroscopy were used to further characterize the changes introduced by in-situ nitridation. Pre-adsorbed triethylamine decorated acid sites so as to neutralize these sites for the reaction of methanol to dimethylether. Carbon monoxide and ormaldehyde, products of the methanol probe reaction, were observed-- suggesting that basic sites are present in this treated zeolite and titania.« less

Generalization of Equivalent Crystal Theory to Include Angular Dependence

NASA Technical Reports Server (NTRS)

Ferrante, John; Zypman, Fredy R.

2004-01-01

In the original Equivalent Crystal Theory, each atomic site in the real crystal is assigned an equivalent lattice constant, in general different from the ground state one. This parameter corresponds to a local compression or expansion of the lattice. The basic method considers these volumetric transformations and, in addition, introduces the possibility that the reference lattice is anisotropically distorted. These distortions however, were introduced ad-hoc. In this work, we generalize the original Equivalent Crystal Theory by systematically introducing site-dependent directional distortions of the lattice, whose corresponding distortions account for the dependence of the energy on anisotropic local density variations. This is done in the spirit of the original framework, but including a gradient term in the density. This approach is introduced to correct a deficiency in the original Equivalent Crystal Theory and other semiempirical methods in quantitatively obtaining the correct ratios of the surface energies of low index planes of cubic metals (100), (110), and (111). We develop here the basic framework, and apply it to the calculation of Fe (110) and Fe (111) surface energy formation. The results, compared with first principles calculations, show an improvement over previous semiempirical approaches.

Water resources data for Indiana, 1967

USGS Publications Warehouse

,

1968-01-01

The surface-water records for the 1967 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The quality-of-water investigations of the U.S. Geological Survey are concerned with the chemical and physical characteristics of surface- and ground-water supplies of the Nation. The basic records for the 1967 water year for quality of surface waters within the State of Indiana are given in this report. For convenience and interest, there are also records for a few water quality stations in bordering states.

Water resources data for Indiana, 1966

USGS Publications Warehouse

,

1967-01-01

The surface-water records for the 1966 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering states. The quality-of-water investigations of the U.S. Geological Survey are concerned with the chemical and physical characteristics of surface- and ground-water supplies of the Nation. The basic records for the 1966 water year for quality of surface waters within the State of Indiana are given in this report. For convenience and interest, there are also records for a few water quality stations in bordering states.

Electron-Scavenging Chemistry of Benzoquinone on TiO2(110)

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

Henderson, Michael A.; Shen, Mingmin

The chemistry of benzoquinone (BQ) on TiO2(110) was examined using temperature programmed desorption (TPD), electron energy loss spectroscopy (EELS) and Auger electron spectroscopy (AES). BQ adsorbs mostly molecularly on the clean surface, although EELS demonstrates that electrons from surface Ti3+ sites at oxygen vacancy sites (VO) are readily oxidized by the high electron scavenging ability of the molecule. In contrast, when the surface is covered with water, subsequently adsorbed BQ molecules that scavenge surface electrons also abstract H from surface OHbr groups to form hydroquinone (HQ), which desorbs at ~450 K. This work was supported by the US Department ofmore » Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.« less

Scavenging performance and antioxidant activity of γ-alumina nanoparticles towards DPPH free radical: Spectroscopic and DFT-D studies.

PubMed

Zamani, Mehdi; Moradi Delfani, Ali; Jabbari, Morteza

2018-05-03

The radical scavenging performance and antioxidant activity of γ-alumina nanoparticles towards 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical were investigated by spectroscopic and computational methods. The radical scavenging ability of γ-alumina nanoparticles in the media with different polarity (i.e. i-propanol and n-hexane) was evaluated by measuring the DPPH absorbance in UV-Vis absorption spectra. The structure and morphology of γ-alumina nanoparticles before and after adsorption of DPPH were studied using XRD, FT-IR and UV-Vis spectroscopic techniques. The adsorption of DPPH free radical on the clean and hydrated γ-alumina (1 1 0) surface was examined by dispersion corrected density functional theory (DFT-D) and natural bond orbital (NBO) calculations. Also, time-dependent density functional theory (TD-DFT) was used to predict the absorption spectra. The adsorption was occurred through the interaction of radical nitrogen N and NO 2 groups of DPPH with the acidic and basic sites of γ-alumina surface. The high potential for the adsorption of DPPH radical on γ-alumina nanoparticles was investigated. Interaction of DPPH with Brønsted and Lewis acidic sites of γ-alumina was more favored than Brønsted basic sites. The following order for the adsorption of DPPH over the different active sites of γ-alumina was predicted: Brønsted base < Lewis acid < Brønsted acid. These results are of great significance for the environmental application of γ-alumina nanoparticles in order to remove free radicals. Copyright © 2018. Published by Elsevier B.V.

Interpreting ground conditions from geologic maps

USGS Publications Warehouse

,

1949-01-01

Intelligent planning for heavy construction, water supply, or other land utilization requires advance knowledge of ground conditions in the area. It is essential to know:the topography, that is, the configuration of the land surface;the geology and soils, that is, the deposits that compose the land and its weathered surface; andthe hydrology, that is, the occurrence of water whether under or on the ground.These elements usually are considered in planning land developments that involve much investment; detailed surveys generally are made of the topography, geology, soils, and hydrology at the site selected for development. Such detailed surveys are essential, but equally essential and often overlooked is the need for general surveys prior to site selection.Only if the general surveys have been made is it possible to know that a particular site is most suitable for the purpose and that no situations in the tributary areas that might affect the project have been overlooked. Moreover, the general regional relations must be known in order to properly interpret the geology, soils, and hydrology at a particular locality. In brief, both the general and the specific are needed in order to avoid costly mistakes either during or after development.The accompanying maps illustrate how a general geologic map can be used for interpreting grc .d conditions during a planning stage prior to site selection. The topographic and geologic maps, which provide the basic data, have been simplified from some existing ones. The interpretive sheets are intended to provide some examples of the kinds of information that trained persons can read from such basic maps.

Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)

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

Shen, Mingmin; Henderson, Michael A.

2011-08-02

The competitive interaction between acetone and two solvent molecules (methanol and water) for surface sites on rutile TiO2(110) was studied using temperature programmed desorption (TPD). On a vacuum reduced TiO2(110) surface, which possessed ~5% oxygen vacancy sites, excess methanol displaced preadsorbed acetone molecules to weakly bound and physisorbed desorption states below 200 K, whereas acetone was stabilized to 250 K against displacement by methanol on an oxidized surface through formation of an acetone-diolate species. These behaviors of acetone differ from the competitive interactions between acetone and water in that acetone is less susceptible to displacement by water. Examination of acetone+methanolmore » and acetone+water multilayer combinations shows that acetone is more compatible in water-ice films than in methanol-ice films, presumably because water has greater potential as a hydrogen-bond donor than does methanol. Acetone molecules displaced from the TiO2(110) surface by water are more likely to be retained in the near-surface region, having a greater opportunity to revisit the surface, than when methanol is used as a coadsorbate. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Water-quality assessment of the Rio Grande Valley, Colorado, New Mexico, and Texas; summary and analysis of water-quality data for the basic-fixed-site network, 1993-95

USGS Publications Warehouse

Healy, D.F.

1997-01-01

The Rio Grande Valley study unit of the U.S. Geological Survey National Water-Quality Assessment Program collected monthly water- quality samples at a network of surface-water sites from April 1993 through September 1995. This basic-fixed-site network consisted of nine main-stem sites on the Rio Grande, five sites on tributaries of the Rio Grande, two sites on streams in the Rio Grande Valley study unit that are not directly tributary to the Rio Grande, and one site on a conveyance channel. During each monthly sampling, field properties were measured and samples were collected for the analysis of dissolved solids, major constituents, nutrients, selected trace elements, and suspended-sediment concentrations. During selected samplings, supplemental samples were collected for the analysis of additional trace elements, organic carbon, and/or pesticides. Spatial variations of dissolved-solids, major-constituent, and nutrient data were analyzed. The report presents summary statistics for the monthly water-quality data by sampling site and background information on the drainage basin upstream from each site. Regression equations are presented that relate dissolved-solids, major-constituent, and nutrient concentrations to streamflow, selected field properties, and time. Median instantaneous streamflow at each basic-fixed site ranged from 1.4 to 1,380 cubic feet per second. Median specific conductance at each basic-fixed site ranged from 84 to 1,680 microsiemens per centimeter at 25 degrees Celsius, and median pH values ranged from 7.8 to 8.5. The water sampled at the basic-fixed sites generally was well oxygenated and had a median dissolved-oxygen percent of saturation range from 89 to 108. With the exception of Rio Grande above mouth of Trinchera Creek, near Lasauses, Colorado, dissolved-solids concentrations in the main stem of the Rio Grande generally increased in a downstream direction. This increase is from natural sources such as ground-water inflow and evapotranspiration and from anthropogenic sources such as irrigation- return flows, urban runoff, and wastewater-treatment plant discharges. The smallest median dissolved-solids concentration detected at a basic- fixed site was 58 milligrams per liter and the largest was 1,240 milligrams per liter. The spatial distribution of calcium, magnesium, sodium, sulfate, chloride, and fluoride was similar to the spatial distribution of dissolved solids. The spatial distribution of potassium and bicarbonate varied slightly from that of dissolved solids. Median silica concentrations generally decreased in a downstream direction. Of all cations, calcium and sodium had the largest concentrations at most basic-fixed sites. Bicarbonate and sulfate were the anions having the largest concentrations at most sites. The largest median silica concentration was at Rito de los Frijoles in Bandelier National Monument, New Mexico, where silica composed approximately 50 percent of the dissolved solids. The largest concentrations and largest median concentrations of dissolved-nutrient analytes were detected at Santa Fe River above Cochiti Lake, New Mexico, and Rio Grande at Isleta, New Mexico. The relatively large dissolved-nutrient concentrations at these sites probably were due to discharges from wastewater-treatment plants and urban runoff. The largest concentrations and largest median concentrations of total ammonia plus organic nitrogen and total phosphorus were detected at Rio Puerco near Bernardo, New Mexico. The largest concentrations of these nutrients at this site were associated with runoff from summer thunderstorms. Dissolved-iron concentrations ranged from censored concentrations to 914 micrograms per liter. Median dissolved-iron concentrations ranged from 3 to 160 micrograms per liter. Dissolved-manganese concentrations ranged from censored concent

Evaluating the surface circulation in the Ebro delta (northeastern Spain) with quality-controlled high-frequency radar measurements

NASA Astrophysics Data System (ADS)

Lorente, P.; Piedracoba, S.; Soto-Navarro, J.; Alvarez-Fanjul, E.

2015-11-01

The Ebro River delta is a relevant marine protected area in the western Mediterranean. In order to promote the conservation of its ecosystem and support operational decision making in this sensitive area, a three-site standard-range (13.5 MHz) CODAR SeaSonde high-frequency (HF) radar was deployed in December 2013. The main goal of this work is to explore basic features of the sea surface circulation in the Ebro deltaic region as derived from reliable HF radar surface current measurements. For this aim, a combined quality control methodology was applied: firstly, 1-year long (2014) real-time web monitoring of nonvelocity-based diagnostic parameters was conducted to infer both radar site status and HF radar system performance. The signal-to-noise ratio at the monopole exhibited a consistent monthly evolution, although some abrupt decreases (below 10 dB), occasionally detected in June for one of the radar sites, impacted negatively on the spatiotemporal coverage of total current vectors. It seemed to be sporadic episodes since radar site overall performance was found to be robust during 2014. Secondly, a validation of HF radar data with independent in situ observations from a moored current meter was attempted for May-October 2014. The accuracy assessment of radial and total vectors revealed a consistently high agreement. The directional accuracy of the HF radar was rated at better than 8°. The correlation coefficient and root mean square error (RMSE) values emerged in the ranges [0.58-0.83] and [4.02-18.31] cm s-1, respectively. The analysis of the monthly averaged current maps for 2014 showed that the HF radar properly represented basic oceanographic features previously reported, namely, the predominant southwestward flow, the coastal clockwise eddy confined south of the Ebro delta mouth, or the Ebro River impulsive-type freshwater discharge. The EOF analysis related the flow response to local wind forcing and confirmed that the surface current field evolved in space and time according to three significantly dominant modes of variability.

The bZIP dimer localizes at DNA full-sites where each basic region can alternately translocate and bind to subsites at the half-site

PubMed Central

Chan, I-San; Al-Sarraj, Taufik; Shahravan, S. Hesam; Fedorova, Anna V.; Shin, Jumi A.

2012-01-01

Crystal structures of the GCN4 bZIP (basic region/leucine zipper) with the AP-1 or CRE site show how each GCN4 basic region binds to a 4-bp cognate half-site as a single DNA target; however, this may not always fully describe how bZIP proteins interact with their target sites. Previously, we showed that the GCN4 basic region interacts with all 5 bp in half-site TTGCG (termed 5H-LR), and that 5H-LR comprises two 4-bp subsites, TTGC and TGCG, which individually are also target sites of the basic region. In this work, we explored how the basic region interacts with 5H-LR when the bZIP dimer localizes to full-sites. Using AMBER molecular modeling, we simulated GCN4 bZIP complexes with full-sites containing 5H-LR to investigate in silico the interface between the basic region and 5H-LR. We also performed in vitro investigation of bZIP–DNA interactions at a number of full-sites that contain 5H-LR vs. either subsite: we analyzed results from DNase I footprinting and electrophoretic mobility shift assay (EMSA) and from EMSA titrations to quantify binding affinities. Our computational and experimental results together support a highly dynamic DNA-binding model: when a bZIP dimer localizes to its target full-site, the basic region can alternately recognize either subsite as a distinct target at 5H-LR and translocate between the subsites, potentially by sliding and hopping. This model provides added insights into how α-helical DNA-binding domains of transcription factors can localize to their gene regulatory sequences in vivo. PMID:22856882

The bZIP dimer localizes at DNA full-sites where each basic region can alternately translocate and bind to subsites at the half-site.

PubMed

Chan, I-San; Al-Sarraj, Taufik; Shahravan, S Hesam; Fedorova, Anna V; Shin, Jumi A

2012-08-21

Crystal structures of the GCN4 bZIP (basic region/leucine zipper) with the AP-1 or CRE site show how each GCN4 basic region binds to a 4 bp cognate half-site as a single DNA target; however, this may not always fully describe how bZIP proteins interact with their target sites. Previously, we showed that the GCN4 basic region interacts with all 5 bp in half-site TTGCG (termed 5H-LR) and that 5H-LR comprises two 4 bp subsites, TTGC and TGCG, which individually are also target sites of the basic region. In this work, we explore how the basic region interacts with 5H-LR when the bZIP dimer localizes to full-sites. Using AMBER molecular modeling, we simulated GCN4 bZIP complexes with full-sites containing 5H-LR to investigate in silico the interface between the basic region and 5H-LR. We also performed in vitro investigation of bZIP-DNA interactions at a number of full-sites that contain 5H-LR versus either subsite: we analyzed results from DNase I footprinting and electrophoretic mobility shift assay (EMSA) and from EMSA titrations to quantify binding affinities. Our computational and experimental results together support a highly dynamic DNA-binding model: when a bZIP dimer localizes to its target full-site, the basic region can alternately recognize either subsite as a distinct target at 5H-LR and translocate between the subsites, potentially by sliding and hopping. This model provides added insights into how α-helical DNA-binding domains of transcription factors can localize to their gene regulatory sequences in vivo.

Hydrologic data for Leviathan Mine and vicinity, Alpine County, California, 1981-83

USGS Publications Warehouse

Hammermeister, D.P.; Walmsley, S.J.

1985-01-01

The U.S. Geological Survey collected basic hydrologic and water-quality data during 1981-83 to facilitate the geohydrologic evaluation of the Leviathan Mine area and the design of a pollution-abatement project. Surface-water field data included one or more measurements of pH, water temperature, and specific conductance at 45 sites in and adjacent to the mine area. At nine of these sites, daily data on discharge, specific conductance, and water temperature were collected during parts of 1981-82 by using electronic monitor-recorder systems. Ground-water field data included one or more of the water-quality measurements listed above at 71 piezometers in the mine area. Borehole geophysical data included neutron-moisture, neutron-porosity, gamma-gamma density, natural gamma, and temperature logs at three sites. Mineralogic and hydrologic data were obtained for cores taken from nine test holes. One or more surface-water samples from 26 sites were analyzed for major cations, major anions, and a wide range of minor inorganic constituents. Single ground-water samples from 36 piezometers were analyzed for the same array of major and minor constituents. (USGS)

Features of seasonal temperature variations in peat soils of oligotrophic bogs in south taiga of Western Siberia

NASA Astrophysics Data System (ADS)

Kiselev, M. V.; Dyukarev, E. A.; Voropay, N. N.

2018-03-01

The work presents the results of the study of the peculiarities of the temperature regime in the five basic ecosystems of oligotrophic bogs in the south taiga zone of Western Siberia in 2011-2016. The soil temperature regime was studied using the atmospheric-soil measuring complex at different depths from surface down to 240 cm. All sites were divided into two groups according to the bog water level: flooded sites (hollow and open fen) and drained sites (ridge, tall and low ryam). The waterlogged sites are better warmed in the summer period and slowly freeze in the winter period. The analysis of the annual cycle of temperature showed that the maximum surface temperature is in July. The minimum temperature on the surface is observed in February or January. The greatest temperature gradient was recorded in the upper 2 cm layer. The gradient at the open fen was -2 °C/cm in February and 1.1 °C/cm in October. The peak of formation of the seasonally frozen layer occurs at the end of autumn or in the beginning of winter. The degradation of the seasonally frozen layer was observed both from top and bottom, but the degradation rate from the top is faster.

Identification of the heparin binding site on adeno-associated virus serotype 3B (AAV-3B)

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

Lerch, Thomas F.; Chapman, Michael S., E-mail: chapmami@ohsu.edu

2012-02-05

Adeno-associated virus is a promising vector for gene therapy. In the current study, the binding site on AAV serotype 3B for the heparan sulfate proteoglycan (HSPG) receptor has been characterized. X-ray diffraction identified a disaccharide binding site at the most positively charged region on the virus surface. The contributions of basic amino acids at this and other sites were characterized using site-directed mutagenesis. Both heparin and cell binding are correlated to positive charge at the disaccharide binding site, and transduction is significantly decreased in AAV-3B vectors mutated at this site to reduce heparin binding. While the receptor attachment sites ofmore » AAV-3B and AAV-2 are both in the general vicinity of the viral spikes, the exact amino acids that participate in electrostatic interactions are distinct. Diversity in the mechanisms of cell attachment by AAV serotypes will be an important consideration for the rational design of improved gene therapy vectors.« less

Identification of the heparin binding site on adeno-associated virus serotype 3B (AAV-3B)

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

Lerch, Thomas F.; Chapman, Michael S.

2012-05-24

Adeno-associated virus is a promising vector for gene therapy. In the current study, the binding site on AAV serotype 3B for the heparan sulfate proteoglycan (HSPG) receptor has been characterized. X-ray diffraction identified a disaccharide binding site at the most positively charged region on the virus surface. The contributions of basic amino acids at this and other sites were characterized using site-directed mutagenesis. Both heparin and cell binding are correlated to positive charge at the disaccharide binding site, and transduction is significantly decreased in AAV-3B vectors mutated at this site to reduce heparin binding. While the receptor attachment sites ofmore » AAV-3B and AAV-2 are both in the general vicinity of the viral spikes, the exact amino acids that participate in electrostatic interactions are distinct. Diversity in the mechanisms of cell attachment by AAV serotypes will be an important consideration for the rational design of improved gene therapy vectors.« less

Non-LTE Line-Blanketed Model Atmospheres of B-type Stars

NASA Astrophysics Data System (ADS)

Lanz, T.; Hubeny, I.

2005-12-01

We present an extension of our OSTAR2002 grid of NLTE model atmospheres to B-type stars. We have calculated over 1,300 metal line-blanketed, NLTE, plane-parallel, hydrostatic model atmospheres for the basic parameters appropriate to B stars. The grid covers 16 effective temperatures from 15,000 to 30,000 K, with 1000 K steps, 13 surface gravities, log g≤ 4.75 down to the Eddington limit, and 5 compositions (2, 1, 0.5, 0.2, and 0.1 times solar). We have adopted a microturbulent velocity of 2 km/s for all models. In the lower surface gravity range (log g≤ 3.0), we supplemented the main grid with additional model atmospheres accounting for higher microtutbulent velocity (10 km/s) and for alterated surface composition (He and N-rich, C-deficient), as observed in B supergiants. The models incorporate basically all known atomic levels of 46 ions of H, He, C, N, O, Ne, Mg, Al, Si, S, and Fe, which are grouped into 1127 superlevels. Models and spectra will be available at our Web site, http://nova.astro.umd.edu.

Basic data report for drillhole WIPP 30 (Waste Isolation Pilot Plant - WIPP)

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

Not Available

1980-04-01

WIPP 30 was drilled in east-central Eddy County, New Mexico, in NW 1/4, Sec. 33, T21S, R31E, to obtain drill core for the study of dissolution of near-surface rocks. The borehole encountered from top to bottom, the Dewey Lake Red Beds (449' including artificial fill for drill pad), Rustler Formation (299'), and the upper 160' of the Salado Formation. Continuous core was cut from the surface to total depth. Geophysical logs were taken the full length of the borehole to measure acoustic velocities, density, and distribution of potassium and other radioactive elements. Information from this borehole will be included inmore » an interpretive report on dissolution in Nash Draw based on combined borehole data, surface mapping and laboratory analyses of rocks and fluids. The WIPP is to demonstrate (through limited operations) disposal technology for transuranic defense wastes and to then be converted to a repository. The WIPP will also provide research facilities for interactions between high-level waste and salt. Administration policy as of February 1980 is to hold the WIPP site in reserve until the first disposal site can be chosen from several potential sites, including the WIPP.« less

Estimation of surface heat and moisture fluxes over a prairie grassland. II - Two-dimensional time filtering and site variability

NASA Technical Reports Server (NTRS)

Crosson, William L.; Smith, Eric A.

1992-01-01

The behavior of in situ measurements of surface fluxes obtained during FIFE 1987 is examined by using correlative and spectral techniques in order to assess the significance of fluctuations on various time scales, from subdiurnal up to synoptic, intraseasonal, and annual scales. The objectives of this analysis are: (1) to determine which temporal scales have a significant impact on areal averaged fluxes and (2) to design a procedure for filtering an extended flux time series that preserves the basic diurnal features and longer time scales while removing high frequency noise that cannot be attributed to site-induced variation. These objectives are accomplished through the use of a two-dimensional cross-time Fourier transform, which serves to separate processes inherently related to diurnal and subdiurnal variability from those which impact flux variations on the longer time scales. A filtering procedure is desirable before the measurements are utilized as input with an experimental biosphere model, to insure that model based intercomparisons at multiple sites are uncontaminated by input variance not related to true site behavior. Analysis of the spectral decomposition indicates that subdiurnal time scales having periods shorter than 6 hours have little site-to-site consistency and therefore little impact on areal integrated fluxes.

Scranton 1/sup 0/ x 2/sup 0/ NTMS area: New Jersey, New York, and Pennsylvania. Preliminary basic data report. National Uranium Resource Evaluation Program. Hydrogeochemical and stream sediment reconnaissance

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

Ferguson, R.B.; Tones, P.L.

1978-11-01

Stream sediment and stream water samples were collected from small streams at 980 sites for a nominal density of one site per 18 square kilometers in rural areas. Ground water samples were collected at 1251 sites for a nominal density of one site per 13 square kilometers. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water and surface water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and amore » brief description of results are given. A generalized geologic map and a summary of the geology of the area are included.« less

Assessment of surface turbulent fluxes using geostationary satellite surface skin temperatures and a mixed layer planetary boundary layer scheme

NASA Technical Reports Server (NTRS)

Diak, George R.; Stewart, Tod R.

1989-01-01

A method is presented for evaluating the fluxes of sensible and latent heating at the land surface, using satellite-measured surface temperature changes in a composite surface layer-mixed layer representation of the planetary boundary layer. The basic prognostic model is tested by comparison with synoptic station information at sites where surface evaporation climatology is well known. The remote sensing version of the model, using satellite-measured surface temperature changes, is then used to quantify the sharp spatial gradient in surface heating/evaporation across the central United States. An error analysis indicates that perhaps five levels of evaporation are recognizable by these methods and that the chief cause of error is the interaction of errors in the measurement of surface temperature change with errors in the assigment of surface roughness character. Finally, two new potential methods for remote sensing of the land-surface energy balance are suggested which will relay on space-borne instrumentation planned for the 1990s.

Effect of water and alkali modifications on ETS-10 for the cycloaddition of CO2 to propylene oxide.

PubMed

Doskocil, Eric J

2005-02-17

Sodium oxide (NaOx) impregnated Engelhard Titanosilicate-10 (ETS-10) molecular sieve catalysts were prepared to enhance the basicity associated with ETS-10 and subsequently investigated for the cycloaddition of carbon dioxide to propylene oxide to produce propylene carbonate. For dry NaOx-modified ETS-10 catalysts that contained no adsorbed water, a maximum yield of propylene carbonate was achieved at a loading of 2.0 excess NaOx species per unit cell. However, the greatest enhancements in the rate of reaction were observed when small amounts of water were adsorbed onto the unmodified ETS-10 catalyst immediately prior to reaction. Surface-bound water appears to enhance the surface Bronsted acidity of the unmodified ETS-10 catalyst via the formation of surface -OH groups at lower water loadings, producing a surface of better-tuned acid-base bifunctional characteristics for the cycloaddition reaction. At levels of hydration greater than 12.5% by mass, the yield of propylene carbonate was further enhanced, but at a smaller rate than that observed at lower rehydration levels, which is more indicative of an enhanced transport effect. Adsorption microcalorimetry of carbon dioxide indicated that, at loadings less than 2.0 NaOx per unit cell, the total uptake of the CO2 adsorption sites required for the reaction were less than in the parent ETS-10 material. However, at higher levels of NaOx occlusion, where the total uptake and strength of the adsorption sites exceeded those observed for the as-received ETS-10 material, the cycloaddition activity of this catalyst suffered due to the reduced pore volume and surface area. It appears that precise tuning of both the surface acidity and basicity is crucial in creating an effective acid-base bifunctional ETS-10 catalyst for the cycloaddition reaction investigated.

The Cbf5-Nop10 Complex is a Molecular Bracket that Organizes Box H/ACA RNPs

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

Hamma, Tomoko; Reichow, Steve L.; Varani, Gabriele

2005-12-01

Box H/ACA ribonucleoprotein particles (RNPs) catalyze RNA pseudouridylation and direct processing of ribosomal RNA, and are essential architectural components of vertebrate telomerases. H/ACA RNPs comprise four proteins and a multihelical RNA. Two proteins, Cbf5 and Nop10, suffice for basal enzymatic activity in an archaeal in vitro system. We now report their cocrystal structure at 1.95-A resolution. We find that archaeal Cbf5 can assemble with yeast Nop10 and with human telomerase RNA, consistent with the high sequence identity of the RNP componenets between archaea and eukarya. Thus, the Cbf5-Nop10 architecture is phylogenetically conserved. The structure shows how Nop10 buttresses the activemore » site of Cbf5, and it reveals two basic troughs that bidirectionally extend the active site cleft. Mutagenesis results implicate an adjacent basic patch in RNA binding. This tripartite RNA-binding surface may function as a molecular bracket that organizes the multihelical H/ACA and telomerase RNAs.« less

Localization of basic fibroblast growth factor binding sites in the chick embryonic neural retina.

PubMed

Cirillo, A; Arruti, C; Courtois, Y; Jeanny, J C

1990-12-01

We have investigated the localization of basic fibroblast growth factor (bFGF) binding sites during the development of the neural retina in the chick embryo. The specificity of the affinity of bFGF for its receptors was assessed by competition experiments with unlabelled growth factor or with heparin, as well as by heparitinase treatment of the samples. Two different types of binding sites were observed in the neural retina by light-microscopic autoradiography. The first type, localized mainly to basement membranes, was highly sensitive to heparitinase digestion and to competition with heparin. It was not developmentally regulated. The second type of binding site, resistant to heparin competition, appeared to be associated with retinal cells from the earliest stages studied (3-day-old embryo, stages 21-22 of Hamburger and Hamilton). Its distribution was found to vary during embryonic development, paralleling layering of the neural retina. Binding of bFGF to the latter sites was observed throughout the retinal neuroepithelium at early stages but displayed a distinct pattern at the time when the inner and outer plexiform layers were formed. During the development of the inner plexiform layer, a banded pattern of bFGF binding was observed. These bands, lying parallel to the vitreal surface, seemed to codistribute with the synaptic bands existing in the inner plexiform layer. The presence of intra-retinal bFGF binding sites whose distribution varies with embryonic development suggests a regulatory mechanism involving differential actions of bFGF on neural retinal cells.

Magnesium oxide prepared via metal-chitosan complexation method: Application as catalyst for transesterification of soybean oil and catalyst deactivation studies

NASA Astrophysics Data System (ADS)

Almerindo, Gizelle I.; Probst, Luiz F. D.; Campos, Carlos E. M.; de Almeida, Rusiene M.; Meneghetti, Simoni M. P.; Meneghetti, Mario R.; Clacens, Jean-Marc; Fajardo, Humberto V.

2011-10-01

A simple method to prepare magnesium oxide catalysts for biodiesel production by transesterification reaction of soybean oil with ethanol is proposed. The method was developed using a metal-chitosan complex. Compared to the commercial oxide, the proposed catalysts displayed higher surface area and basicity values, leading to higher yield in terms of fatty acid ethyl esters (biodiesel). The deactivation of the catalyst due to contact with CO2 and H2O present in the ambient air was verified. It was confirmed that the active catalytic site is a hydrogenocarbonate adsorption site.

Adsorption mechanism of acids and bases in reversed-phase liquid chromatography in weak buffered mobile phases designed for liquid chromatography/mass spectrometry

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

Gritti, Fabrice; Guiochon, Georges A

2009-01-01

The overloaded band profiles of five acido-basic compounds were measured, using weakly buffered mobile phases. Low buffer concentrations were selected to provide a better understanding of the band profiles recorded in LC/MS analyses, which are often carried out at low buffer concentrations. In this work, 10 {micro}L samples of a 50 mM probe solution were injected into C{sub 18}-bonded columns using a series of five buffered mobile phases at {sub W}{sup S}pH between 2 and 12. The retention times and the shapes of the bands were analyzed based on thermodynamic arguments. A new adsorption model that takes into account themore » simultaneous adsorption of the acidic and the basic species onto the endcapped adsorbent, predicts accurately the complex experimental profiles recorded. The adsorption mechanism of acido-basic compounds onto RPLC phases seems to be consistent with the following microscopic model. No matter whether the acid or the base is the neutral or the basic species, the neutral species adsorbs onto a large number of weak adsorption sites (their saturation capacity is several tens g/L and their equilibrium constant of the order of 0.1 L/g). In contrast, the ionic species adsorbs strongly onto fewer active sites (their saturation capacity is about 1 g/L and their equilibrium constant of the order of a few L/g). From a microscopic point of view and in agreement with the adsorption isotherm of the compound measured by frontal analysis (FA) and with the results of Monte-Carlo calculations performed by Schure et al., the first type of adsorption sites are most likely located in between C{sub 18}-bonded chains and the second type of adsorption sites are located deeper in contact with the silica surface. The injected concentration (50 mM) was too low to probe the weakest adsorption sites (saturation capacity of a few hundreds g/L with an equilibrium constant of one hundredth of L/g) that are located at the very interface between the C{sub 18}-bonded layer and the bulk phase.« less

Adsorption mechanism of acids and bases in reversed-phase liquid chromatography in weak buffered mobile phases designed for liquid chromatography/mass spectrometry.

PubMed

Gritti, Fabrice; Guiochon, Georges

2009-03-06

The overloaded band profiles of five acido-basic compounds were measured, using weakly buffered mobile phases. Low buffer concentrations were selected to provide a better understanding of the band profiles recorded in LC/MS analyses, which are often carried out at low buffer concentrations. In this work, 10 microL samples of a 50 mM probe solution were injected into C(18)-bonded columns using a series of five buffered mobile phases at (SW)pH between 2 and 12. The retention times and the shapes of the bands were analyzed based on thermodynamic arguments. A new adsorption model that takes into account the simultaneous adsorption of the acidic and the basic species onto the endcapped adsorbent, predicts accurately the complex experimental profiles recorded. The adsorption mechanism of acido-basic compounds onto RPLC phases seems to be consistent with the following microscopic model. No matter whether the acid or the base is the neutral or the basic species, the neutral species adsorbs onto a large number of weak adsorption sites (their saturation capacity is several tens g/L and their equilibrium constant of the order of 0.1 L/g). In contrast, the ionic species adsorbs strongly onto fewer active sites (their saturation capacity is about 1g/L and their equilibrium constant of the order of a few L/g). From a microscopic point of view and in agreement with the adsorption isotherm of the compound measured by frontal analysis (FA) and with the results of Monte-Carlo calculations performed by Schure et al., the first type of adsorption sites are most likely located in between C(18)-bonded chains and the second type of adsorption sites are located deeper in contact with the silica surface. The injected concentration (50 mM) was too low to probe the weakest adsorption sites (saturation capacity of a few hundreds g/L with an equilibrium constant of one hundredth of L/g) that are located at the very interface between the C(18)-bonded layer and the bulk phase.

Stable isotope analysis of food-web system in subarctic to subtropical region of western North Pacific

NASA Astrophysics Data System (ADS)

Aita, M. N.; Minoru, K.; Kobari, T.; Yoshikawa, C.; Ishii, R.

2016-02-01

Carbon and nitrogen isotope ratios of biota are controlled by two factors, a metabolic system and a lifestyle of predator and a regional variability of environmental parameters on food web system. To evaluate the environmental factors (i.e., nutrients and temperature) on the basic food web in the marine ecosystem. We studied the seasonal variation of nitrogen and carbon isotope ratios of zooplankton in the subarctic site of K2 (47ºN, 160ºE) and the subtropical one of S1 (30ºN, 145ºE) in the western North Pacific Ocean, both of which are JAMSTEC observation site. Biota were collected in eight depths (0-50, 50-100, 100-150, 150-200, 200-300, 300-500, 500-750, 750-1000m) at both sites using IONESS from February 2010 to July 2011. All samples were classified under a stereomicroscope into species or genus level and used adult stage for isotopic analysis. We also collected water samples from seasonal and vertical (from the surface to 1,000m depth) profiles in δ15N (NO3+ + NO2-) at K2 and S1 in special reference to nitrogen cycles. The δ15N and δ13C values of amphipods and copepod, omnivorous zooplankton in the surface ocean, showed a large seasonal variation. The δ15N values of zooplankton and nitrate ions in the water at the S1 site tended to be lower than those at the K2 site, indicating that the basic food web could be affected by nitrogen fixation. We further compared the trophic fractionation of carbon and nitrogen isotopes (Δδ13C, Δδ15N). It was observed that a simple relationship exists in the Δδ15N/Δδ13C regardless of species and ecosystems. This contention suggests a unified regularity is maintained in the lower to higher trophic level in the marine ecosystem.

Representativeness of wind measurements in moderately complex terrain

NASA Astrophysics Data System (ADS)

van den Bossche, Michael; De Wekker, Stephan F. J.

2018-02-01

We investigated the representativeness of 10-m wind measurements in a 4 km × 2 km area of modest relief by comparing observations at a central site with those at four satellite sites located in the same area. Using a combination of established and new methods to quantify and visualize representativeness, we found significant differences in wind speed and direction between the four satellite sites and the central site. The representativeness of the central site wind measurements depended strongly on surface wind speed and direction, and atmospheric stability. Through closer inspection of the observations at one of the satellite sites, we concluded that terrain-forced flows combined with thermally driven downslope winds caused large biases in wind direction and speed. We used these biases to generate a basic model, showing that terrain-related differences in wind observations can to a large extent be predicted. Such a model is a cost-effective way to enhance an area's wind field determination and to improve the outcome of pollutant dispersion and weather forecasting models.

Ultrastructural and cytochemical aspects of Schistosoma mansoni cercaria.

PubMed

Cavalcanti, M G S; Araújo, H R C; Paiva, M H S; Silva, G M; Barbosa, C C G S; Silva, L F; Brayner, F A; Alves, L C

2009-04-01

An alternative to identify the critical processes necessary to the parasite establishment of the host is to focus on the evolutionary stage responsible for the primary invasion, i.e. the infection structure. The objective of this study was to ultrastructurally characterize Schistosoma mansoni cercariae, using cytochemical techniques. In order to identify basic proteins, techniques such as ethanolic phosphotungstic acid (EPTA) and ammoniacal silver staining were used. Calcium sites location was achieved using the Hepler technique and to evidence anionic groups, we used cationic ferritin particles and enzyme treatment with trypsin Vibrio cholerae, chondroitinase and neuraminidase. The EPTA technique highlighted the presence of basic tegument proteins, nucleus and nucleolus from subtegumental cells, inclusion bodies and preacetabular glands. After using ammoniacal silver, we observed a strong staining in all infective larvae, particularly in the nuclei of muscle cells, circular muscle tissue and preacetabular glands. Calcium site locations were shown to be uniform, thereby limiting the inner spaces of the larvae, especially muscle cells. Samples treated with cationized ferritin particles presented strong staining at the cuticular level. Neuraminidase treatment did not alter the stained shape of such particles on the trematode surface. However, trypsin or chondroitinase treatment resulted in absence of staining on the larval surface. This information on the biochemical composition of the infecting S. mansoni larvae provides data for a better understanding of the biology of this parasite and background on the intriguing parasite-host relationship.

Probing functional groups at the gas-aerosol interface using heterogeneous titration reactions: a tool for predicting aerosol health effects?

PubMed

Setyan, Ari; Sauvain, Jean-Jacques; Guillemin, Michel; Riediker, Michael; Demirdjian, Benjamin; Rossi, Michel J

2010-12-17

The complex chemical and physical nature of combustion and secondary organic aerosols (SOAs) in general precludes the complete characterization of both bulk and interfacial components. The bulk composition reveals the history of the growth process and therefore the source region, whereas the interface controls--to a large extent--the interaction with gases, biological membranes, and solid supports. We summarize the development of a soft interrogation technique, using heterogeneous chemistry, for the interfacial functional groups of selected probe gases [N(CH(3))(3), NH(2)OH, CF(3)COOH, HCl, O(3), NO(2)] of different reactivity. The technique reveals the identity and density of surface functional groups. Examples include acidic and basic sites, olefinic and polycyclic aromatic hydrocarbon (PAH) sites, and partially and completely oxidized surface sites. We report on the surface composition and oxidation states of laboratory-generated aerosols and of aerosols sampled in several bus depots. In the latter case, the biomarker 8-hydroxy-2'-deoxyguanosine, signaling oxidative stress caused by aerosol exposure, was isolated. The increase in biomarker levels over a working day is correlated with the surface density N(i)(O3) of olefinic and/or PAH sites obtained from O(3) uptakes as well as with the initial uptake coefficient, γ(0), of five probe gases used in the field. This correlation with γ(0) suggests the idea of competing pathways occurring at the interface of the aerosol particles between the generation of reactive oxygen species (ROS) responsible for oxidative stress and cellular antioxidants.

Summer Study Program in Geophysical Fluid Dynamics 1989. General Circulation of the Oceans

DTIC Science & Technology

1989-11-01

Description of the Surface Circulation 2.2 A Description of the Interior Circulation 2.3 Formation Sites and Circulation of Deepwater Masses 2.4 Mode...and atmosphere, we have to follow basic laws of physics which lead us to try to solve a series of conservation equations, Mass : Dp*+ P() Du. - , ’ O.j...r~--~)(18) where,= vorticity 0 - 1 Vertically integrated mass conservation gives which leads to T.3) (19) Using the fact that Ro, ;<<I, the lowest

Development of a Detailed Surface Chemistry Framework in DSMC

NASA Technical Reports Server (NTRS)

Swaminathan-Gopalan, K.; Borner, A.; Stephani, K. A.

2017-01-01

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Influence of surface chemistry of carbon materials on their interactions with inorganic nitrogen contaminants in soil and water.

PubMed

Sumaraj; Padhye, Lokesh P

2017-10-01

Inorganic nitrogen contaminants (INC) (NH 4 + , NO 3 - , NO 2 - , NH 3 , NO, NO 2 , and N 2 O) pose a growing risk to the environment, and their remediation methods are highly sought after. Application of carbon materials (CM), such as biochar and activated carbon, to remediate INC from agricultural fields and wastewater treatment plants has gained a significant interest since past few years. Understanding the role of surface chemistry of CM in adsorption of various INC is highly critical to increase adsorption efficiency as well as to assess the long term impact of using these highly recalcitrant CM for remediation of INC. Critical reviews of adsorption studies related to INC have revealed that carbon surface chemistry (surface functional groups, pH, Eh, elemental composition, and mineral content) has significant influence on adsorption of INC. Compared to basic functional groups, oxygen containing surface functional groups have been found to be more influential for adsorption of INC. However, basic sites on carbon materials still play an important role in chemisorption of anionic INC. Apart from surface functional groups, pH, Eh and pH zpc of CM and elemental and mineral composition of its surface are important properties capable of altering INC interactions with CM. This review summarizes our current understanding of INC interactions with CM's surface through the known chemisorption mechanisms: electrostatic interaction, hydrogen bonding, electron donor-acceptor mechanism, hydrophobic and hydrophilic interaction, chemisorption aided by minerals, and interactions influenced by pH and elemental composition. Change in surface chemistry of CM in soil during aging is also discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Snow micro-structure at Kongsvegen glacier, Svalbard

NASA Astrophysics Data System (ADS)

Bilgeri, F.; Karner, F.; Steinkogler, W.; Fromm, R.; Obleitner, F.; Kohler, J.

2012-04-01

Measurements of physical snow properties have been performed at several sites at Kongsvegen glacier, which is a key Arctic glacier in western Spitzbergen (79N, 13E). The data were collected at six locations along the flow line of the glacier at different elevations (161 to 741m asl.) and describe snow that was deposited during winter 2010/11. We basically consider the vertical profiles of snow temperature, density, hardness, grain size and crystal shapes derived from standard stratigraphic methods (snow pits)and measurements using advanced instruments like Snow Micropen® and NIR imagery. Some parameters were measured repeatedly and with different instruments which proves a high quality as well as long-term and spatial representativeness of the data. The general snow conditions at the end of winter are characterized by a linear increase of snow depth and water equivalent with elevation. Snow hardness also increases with elevation while density remains remarkably constant. At most sites the snow temperature, density, hardness and grain size increase from the surface towards the snow-ice interface. The surface and the bottom layers stand out by specific changes in snow signature (crystal types) and delineate the bulk of the snow pack which itself features a rather complex layering. Comparison of the high-resolution profiles measured at different elevations at the glacier suggests some principal correlations of the signatures of hardness, grain size and crystal type. Thus, some major features (e.g. particularly hard layers) can be traced along the glacier, but the high-resolution layering can not straightforwardly be related from one site to the other. This basically reflects a locally different history of the snow pack in terms of precipitation events and post-depositional snow metamorphism. The issue is investigated more quantitatively by enhanced statistical processing of the observed signatures and simulation of the history of individual layers. These studies are supported by meteorological measurements at the snow observation sites.

Basic surface properties of mononuclear cells from Didelphis marsupialis.

PubMed

Nacife, V P; de Meirelles, M de N; Silva Filho, F C

1998-01-01

The electrostatic surface charge and surface tension of mononuclear cells/monocytes obtained from young and adult marsupials (Didelphis marsupialis) were investigated by using cationized ferritin and colloidal iron hydroxyde, whole cell electrophoresis, and measurements of contact angles. Anionic sites were found distributed throughout the entire investigated cell surfaces. The results revealed that the anionic character of the cells is given by electrostatic charges corresponding to -18.8 mV (cells from young animals) and -29.3 mV (cells from adult animals). The surface electrostatic charge decreased from 10 to 65.2% after treatment of the cells with each one of trypsin, neuraminidase and phospholipase C. The hydrophobic nature of the mononuclear cell surfaces studied by using the contact angle method revealed that both young and adult cells possess cell surfaces of high hidrofilicity since the angles formed with drops of saline water were 42.5 degrees and 40.8 degrees, respectively. Treatment of the cells with trypsin or neuraminidase rendered their surfaces more hydrophobic, suggesting that sialic acid-containing glycoproteins are responsible for most of the hydrophilicity observed in the mononuclear cell surfaces from D. marsupialis.

Positive selection in octopus haemocyanin indicates functional links to temperature adaptation.

PubMed

Oellermann, Michael; Strugnell, Jan M; Lieb, Bernhard; Mark, Felix C

2015-07-05

Octopods have successfully colonised the world's oceans from the tropics to the poles. Yet, successful persistence in these habitats has required adaptations of their advanced physiological apparatus to compensate impaired oxygen supply. Their oxygen transporter haemocyanin plays a major role in cold tolerance and accordingly has undergone functional modifications to sustain oxygen release at sub-zero temperatures. However, it remains unknown how molecular properties evolved to explain the observed functional adaptations. We thus aimed to assess whether natural selection affected molecular and structural properties of haemocyanin that explains temperature adaptation in octopods. Analysis of 239 partial sequences of the haemocyanin functional units (FU) f and g of 28 octopod species of polar, temperate, subtropical and tropical origin revealed natural selection was acting primarily on charge properties of surface residues. Polar octopods contained haemocyanins with higher net surface charge due to decreased glutamic acid content and higher numbers of basic amino acids. Within the analysed partial sequences, positive selection was present at site 2545, positioned between the active copper binding centre and the FU g surface. At this site, methionine was the dominant amino acid in polar octopods and leucine was dominant in tropical octopods. Sites directly involved in oxygen binding or quaternary interactions were highly conserved within the analysed sequence. This study has provided the first insight into molecular and structural mechanisms that have enabled octopods to sustain oxygen supply from polar to tropical conditions. Our findings imply modulation of oxygen binding via charge-charge interaction at the protein surface, which stabilize quaternary interactions among functional units to reduce detrimental effects of high pH on venous oxygen release. Of the observed partial haemocyanin sequence, residue 2545 formed a close link between the FU g surface and the active centre, suggesting a role as allosteric binding site. The prevalence of methionine at this site in polar octopods, implies regulation of oxygen affinity via increased sensitivity to allosteric metal binding. High sequence conservation of sites directly involved in oxygen binding indicates that functional modifications of octopod haemocyanin rather occur via more subtle mechanisms, as observed in this study.

Detection of site specific glycosylation in proteins using flow cytometry†

PubMed Central

Jayakumar, Deepak; Marathe, Dhananjay D.; Neelamegham, Sriram

2009-01-01

We tested the possibility that it is possible to express unique peptide probes on cell surfaces and detect site-specific glycosylation on these peptides using flow cytometry. Such development can enhance the application of flow cytometry to detect and quantify post-translational modifications in proteins. To this end, the N-terminal section of the human leukocyte glycoprotein PSGL-1 (P-selectin glycoprotein ligand-1) was modified to contain a poly-histidine tag followed by a proteolytic cleavage site. Amino acids preceding the cleavage site have a single O-linked glycosylation site. The recombinant protein called PSGL-1 (HT) was expressed on the surface of two mammalian cell lines, CHO and HL-60, using a lentiviral delivery approach. Results demonstrate that the N-terminal portion of PSGL-1 (HT) can be released from these cells by protease, and the resulting peptide can be readily captured and detected using cytometry-bead assays. Using this strategy, the peptide was immunoprecipitated onto beads bearing mAbs against either the poly-histidine sequence or the human PSGL-1. The carbohydrate epitope associated with the released peptide was detected using HECA-452 and CSLEX-1, monoclonal antibodies that recognize the sialyl Lewis-X epitope. Finally, the peptide released from cells could be separated and enriched using nickel chelate beads. Overall, such an approach that combines recombinant protein expression with flow cytometry, may be useful to quantify changes in site-specific glycosylation for basic science and clinical applications. PMID:19735085

MAPs/bFGF-PLGA microsphere composite-coated titanium surfaces promote increased adhesion and proliferation of fibroblasts.

PubMed

Wang, Zhongshan; Wu, Guofeng; Bai, Shizhu; Feng, Zhihong; Dong, Yan; Zhou, Jian; Qin, Haiyan; Zhao, Yimin

2014-06-01

Infection and epithelial downgrowth are two major problems with maxillofacial transcutaneous implants, and both are mainly due to lack of stable closure of soft tissues at transcutaneous sites. Fibroblasts have been shown to play a key role in the formation of biological seals. In this work, titanium (Ti) model surfaces were coated with mussel adhesive proteins (MAPs) utilizing its unique adhesion ability on diverse inorganic and organic surfaces in wet environments. Prepared basic fibroblast growth factor (bFGF)-poly(lactic-co-glycolic acid) (PLGA) microspheres can be easily synthesized and combined onto MAPs-coated Ti surfaces, due to the negative surface charges of microspheres in aqueous solution, which is in contrast to the positive charges of MAPs. Titanium model surfaces were divided into three groups. Group A: MAPs/bFGF-PLGA microspheres composite-coated Ti surfaces. Group B: MAPs-coated Ti surfaces. Group C: uncoated Ti surfaces. The effects of coated Ti surfaces on adhesion of fibroblasts, cytoskeletal organization, proliferation, and extracellular matrix (ECM)-related gene expressions were examined. The results revealed increased adhesion (P < 0.05), enhanced actin cytoskeletal organization, and up-regulated ECM-related gene expressions in groups A and B compared with group C. Increased proliferation of fibroblasts during five days of incubation was observed in group A compared with groups B and C (P < 0.05). Collectively, the results from this in vitro study demonstrated that MAPs/bFGF-PLGA microspheres composite-coated Ti surfaces had the ability to increase fibroblast functionality. In addition, MAPs/bFGF-PLGA microsphere composite-coated Ti surfaces should be studied further as a method of promoting formation of stable biological seals around transcutaneous sites.

Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.

PubMed

Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling

2017-09-27

By means of modulating the axial ligand and adopting supermolecular building blocks (SBBs) strategy, two polyhedron-based metal-organic frameworks (PMOFs) have been successfully synthesized [Cu 6 (C 17 O 9 N 2 H 8 ) 3 (C 6 H 12 N 2 )(H 2 O) 2 (DMF) 2 ]·3DMF·8H 2 O (JLU-Liu46) and [Cu 6 (C 17 O 9 N 2 H 8 ) 3 (C 4 H 4 N 2 )(H 2 O) 2 (DMF) 2 ]·3DMF·8H 2 O (JLU-Liu47), which possess a high density of Lewis basic sites (LBSs) and open metal sites (OMSs). Since the size of axial ligand in JLU-Liu47 is smaller than that in JLU-Liu46, JLU-Liu47 shows larger pore volume and higher BET surface area. Then, the adsorption ability of JLU-Liu47 for some small gases is better than JLU-Liu46. It is worthwhile to mention that both of the two compounds exhibit outstanding adsorption capability for CO 2 ascribed to the introducing of urea groups. In addition, the theoretical ideal adsorbed solution theory (IAST) calculation and transient breakthrough simulation indicate that JLU-Liu46 and JLU-Liu47 should be potential materials for gas storage and separation, particularly for CO 2 /N 2 , CO 2 /CH 4 , and C 3 H 8 /CH 4 separation.

Slowdown of surface diffusion during early stages of bacterial colonization

NASA Astrophysics Data System (ADS)

Vourc'h, T.; Peerhossaini, H.; Léopoldès, J.; Méjean, A.; Chauvat, F.; Cassier-Chauvat, C.

2018-03-01

We study the surface diffusion of the model cyanobacterium Synechocystis sp. PCC6803 during the incipient stages of cell contact with a glass surface in the dilute regime. We observe a twitching motility with alternating immobile tumble and mobile run periods, resulting in a normal diffusion described by a continuous-time random walk with a coefficient of diffusion D . Surprisingly, D is found to decrease with time down to a plateau. This is observed only when the cyanobacterial cells are able to produce released extracellular polysaccharides, as shown by a comparative study between the wild-type strain and various polysaccharides-depleted mutants. The analysis of the trajectories taken by the bacterial cells shows that the temporal characteristics of their intermittent motion depend on the instantaneous fraction of visited sites during diffusion. This describes quantitatively the time dependence of D , related to the progressive surface coverage by the polysaccharides. The observed slowdown of the surface diffusion may constitute a basic precursor mechanism for microcolony formation and provides clues for controlling biofilm formation.

The surface chemistry of nanocrystalline MgO catalysts for FAME production: An in situ XPS study of H2O, CH3OH and CH3OAc adsorption

NASA Astrophysics Data System (ADS)

Montero, J. M.; Isaacs, M. A.; Lee, A. F.; Lynam, J. M.; Wilson, K.

2016-04-01

An in situ XPS study of water, methanol and methyl acetate adsorption over as-synthesised and calcined MgO nanocatalysts is reported with a view to gaining insight into the surface adsorption of key components relevant to fatty acid methyl esters (biodiesel) production during the transesterification of triglycerides with methanol. High temperature calcined NanoMgO-700 adsorbed all three species more readily than the parent material due to the higher density of electron-rich (111) and (110) facets exposed over the larger crystallites. Water and methanol chemisorb over the NanoMgO-700 through the conversion of surface O2 - sites to OH- and coincident creation of Mg-OH or Mg-OCH3 moieties respectively. A model is proposed in which the dissociative chemisorption of methanol occurs preferentially over defect and edge sites of NanoMgO-700, with higher methanol coverages resulting in physisorption over weakly basic (100) facets. Methyl acetate undergoes more complex surface chemistry over NanoMgO-700, with C-H dissociation and ester cleavage forming surface hydroxyl and acetate species even at extremely low coverages, indicative of preferential adsorption at defects. Comparison of C 1s spectra with spent catalysts from tributyrin transesterification suggest that ester hydrolysis plays a key factor in the deactivation of MgO catalysts for biodiesel production.

Fractography: determining the sites of fracture initiation.

PubMed

Mecholsky, J J

1995-03-01

Fractography is the analysis of fracture surfaces. Here, it refers to quantitative fracture surface analysis (FSA) in the context of applying the principles of fracture mechanics to the topography observed on the fracture surface of brittle materials. The application of FSA is based on the principle that encoded on the fracture surface of brittle materials is the entire history of the fracture process. It is our task to develop the skills and knowledge to decode this information. There are several motivating factors for applying our knowledge of FSA. The first and foremost is that there is specific, quantitative information to be obtained from the fracture surface. This information includes the identification of the size and location of the fracture initiating crack or defect, the stress state at failure, the existence, or not, of local or global residual stress, the existence, or not, of stress corrosion and a knowledge of local processing anomalies which affect the fracture process. The second motivating factor is that the information is free. Once a material is tested to failure, the encoded information becomes available. If we decide to observe the features produced during fracture then we are rewarded with much information. If we decide to ignore the fracture surface, then we are left to guess and/or reason as to the cause of the failure without the benefit of all of the possible information available. This paper addresses the application of quantitative fracture surface analysis to basic research, material and product development, and "trouble-shooting" of in-service failures. First, the basic principles involved will be presented. Next, the methodology necessary to apply the principles will be presented. Finally, a summary of the presentation will be made showing the applicability to design and reliability.

Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides

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

Aljama, Hassan; Nørskov, Jens K.; Abild-Pedersen, Frank

Here, we investigate the role of alkaline metal oxides (AMO) (MgO, CaO, and SrO) in activating the C–H bond in methane. We also use Density Functional Theory (DFT) and microkinetic modeling to study the catalytic elementary steps in breaking the C–H bond in methane and creating the methyl radical, a precursor prior to creating C2 products. We also study the effects of surface geometry on the catalytic activity of AMO by examining terrace and step sites. We observe that the process of activating methane depends strongly on the structure of the AMO. When the AMO surface is doped with anmore » alkali metal, the transition state (TS) structure has a methyl radical-like behavior, where the methyl radical interacts weakly with the AMO surface. In this case, the TS energy scales with the hydrogen binding energy. On pure AMO, the TS interacts with AMO surface oxygen as well as the metal atom on the surface, and consequently the TS energy scales with the binding energy of hydrogen and methyl. We study the activity of AMO using a mean-field microkinetic model. The results indicate that terrace sites have similar catalytic activity, with the exception of MgO(100). Step sites bind hydrogen more strongly, making them more active, and this confirms previously reported experimental results. We map the catalytic activity of AMO using a volcano plot with two descriptors: the methyl and the hydrogen binding energies, with the latter being a more significant descriptor. The microkinetic model results suggest that C–H bond dissociation is not always the rate-limiting step. At weak hydrogen binding, the reaction is limited by C–H bond activation. At strong hydrogen binding, the reaction is limited due to poisoning of the active site. We found an increase in activity of AMO as the basicity increased. Finally, the developed microkinetic model allows screening for improved catalysts using simple calculations of the hydrogen binding energy.« less

Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides

DOE PAGES

Aljama, Hassan; Nørskov, Jens K.; Abild-Pedersen, Frank

2017-07-17

Here, we investigate the role of alkaline metal oxides (AMO) (MgO, CaO, and SrO) in activating the C–H bond in methane. We also use Density Functional Theory (DFT) and microkinetic modeling to study the catalytic elementary steps in breaking the C–H bond in methane and creating the methyl radical, a precursor prior to creating C2 products. We also study the effects of surface geometry on the catalytic activity of AMO by examining terrace and step sites. We observe that the process of activating methane depends strongly on the structure of the AMO. When the AMO surface is doped with anmore » alkali metal, the transition state (TS) structure has a methyl radical-like behavior, where the methyl radical interacts weakly with the AMO surface. In this case, the TS energy scales with the hydrogen binding energy. On pure AMO, the TS interacts with AMO surface oxygen as well as the metal atom on the surface, and consequently the TS energy scales with the binding energy of hydrogen and methyl. We study the activity of AMO using a mean-field microkinetic model. The results indicate that terrace sites have similar catalytic activity, with the exception of MgO(100). Step sites bind hydrogen more strongly, making them more active, and this confirms previously reported experimental results. We map the catalytic activity of AMO using a volcano plot with two descriptors: the methyl and the hydrogen binding energies, with the latter being a more significant descriptor. The microkinetic model results suggest that C–H bond dissociation is not always the rate-limiting step. At weak hydrogen binding, the reaction is limited by C–H bond activation. At strong hydrogen binding, the reaction is limited due to poisoning of the active site. We found an increase in activity of AMO as the basicity increased. Finally, the developed microkinetic model allows screening for improved catalysts using simple calculations of the hydrogen binding energy.« less

Step-By-Step In Vitro Mutagenesis: Lessons From Fucose-Binding Lectin PA-IIL.

PubMed

Mrázková, Jana; Malinovská, Lenka; Wimmerová, Michaela

2017-01-01

Site-directed mutagenesis is a powerful technique which is used to understand the basis of interactions between proteins and their binding partners, as well as to modify these interactions. Methods of rational design that are based on detailed knowledge of the structure of a protein of interest are often used for preliminary investigations of the possible outcomes which can result from the practical application of site-directed mutagenesis. Also, random mutagenesis can be used in tandem with site-directed mutagenesis for an examination of amino acid "hotspots."Lectins are sugar-binding proteins which, among other functions, mediate the recognition of host cells by a pathogen and its adhesion to the host cell surface. Hence, lectins and their binding properties are studied and engineered using site-directed mutagenesis.In this chapter, we describe a site-directed mutagenesis method used for investigating the sugar binding pattern of the PA-IIL lectin from the pathogenic bacterium Pseudomonas aeruginosa. Moreover, procedures for the production and purification of PA-IIL mutants are described, and several basic methods for characterizing the mutants are discussed.

Integrating basic research and long-term management: a case study using avian research at the Savannah River Site

Treesearch

John B. Dunning; John C. Kilgo

2000-01-01

In this introduction to Avian Research at the Savannah River Site: A Model for Integrating Basic Research and Long-term Management, editors Dunning and Kilgo discuss the interrelationship between research and management at the Savannah River Site. They emphasize the increasing need for collaboration between scientists and land managers....

Surface energy budget and turbulent fluxes at Arctic terrestrial sites

NASA Astrophysics Data System (ADS)

Grachev, Andrey; Persson, Ola; Uttal, Taneil; Konopleva-Akish, Elena; Crepinsek, Sara; Cox, Christopher; Fairall, Christopher; Makshtas, Alexander; Repina, Irina

2017-04-01

Determination of the surface energy budget (SEB) and all SEB components at the air-surface interface are required in a wide variety of applications including atmosphere-land/snow simulations and validation of the surface fluxes predicted by numerical models over different spatial and temporal scales. Here, comparisons of net surface energy budgets at two Arctic sites are made using long-term near-continuous measurements of hourly averaged surface fluxes (turbulent, radiation, and soil conduction). One site, Eureka (80.0 N; Nunavut, Canada), is located in complex topography near a fjord about 200 km from the Arctic Ocean. The other site, Tiksi (71.6 N; Russian East Siberia), is located on a relatively flat coastal plain less than 1 km from the shore of Tiksi Bay, a branch of the Arctic Ocean. We first analyzed diurnal and annual cycles of basic meteorological parameters and key SEB components at these locations. Although Eureka and Tiksi are located on different continents and at different latitudes, the annual course of the surface meteorology and SEB components are qualitatively similar. Surface energy balance closure is a formulation of the conservation of energy principle. Our direct measurements of energy balance for both Arctic sites show that the sum of the turbulent sensible and latent heat fluxes and the ground (conductive) heat flux systematically underestimate the net radiation by about 25-30%. This lack of energy balance closure is a fundamental and pervasive problem in micrometeorology. We discuss a variety of factors which may be responsible for the lack of SEB closure. In particular, various storage terms (e.g., air column energy storage due to radiative and/or sensible heat flux divergence, ground heat storage above the soil flux plate, energy used in photosynthesis, canopy biomass heat storage). For example, our observations show that the photosynthesis storage term is relatively small (about 1-2% of the net radiation), but about 8-12% of the imbalance magnitude. All turbulent fluxes are highly correlated with net radiation because this balance between solar and longwave radiation is the principal energy source for daytime surface warming, evaporation, and photosynthesis. We find that turbulent fluxes of carbon dioxide and sensible heat are closely linked and, on average, change sign synchronously during the diurnal and annual cycles. The work is supported by the NOAA Climate Program Office, the U.S. National Science Foundation (NSF) with award ARC 11-07428, and by the U.S. Civilian Research & Development Foundation (CRDF) with award RUG1-2976-ST-10.

[Separation of purines, pyrimidines, pterins and flavonoids on magnolol-bonded silica gel stationary phase by high performance liquid chromatography].

PubMed

Chen, Hong; Li, Laishen; Zhang, Yang; Zhou, Rendan

2012-10-01

A new magnolol-bonded silica gel stationary phase (MSP) was used to separate the basic drugs including four purines, eight pyrimidines, four pterins and five flavonoids as polar representative samples by high performance liquid chromatography (HPLC). To clarify the separation mechanism, a commercial ODS column was also tested under the same chromatographic conditions. The high selectivities and fast baseline separations of the above drugs were achieved by using simple mobile phases on MSP. Although there is no end-caped treatment, the peak shapes of basic drugs containing nitrogen such as purines, pyrimidines and pterins were rather symmetrical on MSP, which indicated the the magnolol as ligand with multi-sites could shield the side effect of residual silanol groups on the surface of silica gel. Although somewhat different in the separation resolution, it was found that the elution orders of some drugs were generally similar on both MSP and ODS. The hydrophobic interaction should play a significant role in the separations of the above basic drugs, which was attributed to their reversed-phase property in the nature. However, MSP could provide the additional sites for many polar solutes, which was a rational explanation for the high selectivity of MSP. For example, in the separation of purines, pyrimidines and pterins on MSP, hydrogen-bonding and dipole-dipole interactions played leading roles besides hydrophobic interaction. Some solute molecules (such as mercaptopurine, vitexicarpin) and MSP can form the strong pi-pi stacking in the separation process. All enhanced the retention and improved the separation selectivity of MSP, which facilitated the separation of the basic drugs.

Kinetic and calorimetric study of the adsorption of dyes on mesoporous activated carbon prepared from coconut coir dust.

PubMed

Macedo, Jeremias de Souza; da Costa Júnior, Nivan Bezerra; Almeida, Luis Eduardo; Vieira, Eunice Fragoso da Silva; Cestari, Antonio Reinaldo; Gimenez, Iara de Fátima; Villarreal Carreño, Neftali Lênin; Barreto, Ledjane Silva

2006-06-15

Mesoporous activated carbon has been prepared from coconut coir dust as support for adsorption of some model dye molecules from aqueous solutions. The methylene blue (MB) and remazol yellow (RY) molecules were chosen for study of the adsorption capacity of cationic and anionic dyes onto prepared activated carbon. The adsorption kinetics was studied with the Lagergren first- and pseudo-second-order kinetic models as well as the intraparticle diffusion model. The results for both dyes suggested a multimechanism sorption process. The adsorption mechanisms in the systems dyes/AC follow pseudo-second-order kinetics with a significant contribution of intraparticle diffusion. The samples simultaneously present acidic and basic sites able to act as anchoring sites for basic and acidic dyes, respectively. Calorimetric studies reveal that dyes/AC interaction forces are correlated with the pH of the solution, which can be related to the charge distribution on the AC surface. These AC samples also exhibited very short equilibrium times for the adsorption of both dyes, which is an economically favorable requisite for the activated carbon described in this work, in addition to the local abundance of the raw material.

Tradeoffs between hydraulic and mechanical stress responses of mature Norway spruce trunk wood.

PubMed

Rosner, Sabine; Klein, Andrea; Müller, Ulrich; Karlsson, Bo

2008-08-01

We tested the effects of growth characteristics and basic density on hydraulic and mechanical properties of mature Norway spruce (Picea abies (L.) Karst.) wood from six 24-year-old clones, grown on two sites in southern Sweden differing in water availability. Hydraulic parameters assessed were specific hydraulic conductivity at full saturation (ks100) and vulnerability to cavitation (Psi50), mechanical parameters included bending strength (sigma b), modulus of elasticity (MOE), compression strength (sigma a) and Young's modulus (E). Basic density, diameter at breast height, tree height, and hydraulic and mechanical parameters varied considerably among clones. Clonal means of hydraulic and mechanical properties were strongly related to basic density and to growth parameters across sites, especially to diameter at breast height. Compared with stem wood of slower growing clones, stem wood of rapidly growing clones had significantly lower basic density, lower sigma b, MOE, sigma a and E, was more vulnerable to cavitation, but had higher ks100. Basic density was negatively correlated to Psi50 and ks100. We therefore found a tradeoff between Psi50 and ks100. Clones with high basic density had significantly lower hydraulic vulnerability, but also lower hydraulic conductivity at full saturation and thus less rapid growth than clones with low basic density. This tradeoff involved a negative relationship between Psi50 and sigma b as well as MOE, and between ks100 and sigma b, MOE and sigma a. Basic density and Psi50 showed no site-specific differences, but tree height, diameter at breast height, ks100 and mechanical strength and stiffness were significantly lower at the drier site. Basic density had no influence on the site-dependent differences in hydraulic and mechanical properties, but was strongly negatively related to diameter at breast height. Selecting for growth may thus lead not only to a reduction in mechanical strength and stiffness but also to a reduction in hydraulic safety.

Self-assembly processes in the prebiotic environment

PubMed Central

Deamer, David; Singaram, Sara; Rajamani, Sudha; Kompanichenko, Vladimir; Guggenheim, Stephen

2006-01-01

An important question guiding research on the origin of life concerns the environmental conditions where molecular systems with the properties of life first appeared on the early Earth. An appropriate site would require liquid water, a source of organic compounds, a source of energy to drive polymerization reactions and a process by which the compounds were sufficiently concentrated to undergo physical and chemical interactions. One such site is a geothermal setting, in which organic compounds interact with mineral surfaces to promote self-assembly and polymerization reactions. Here, we report an initial study of two geothermal sites where mixtures of representative organic solutes (amino acids, nucleobases, a fatty acid and glycerol) and phosphate were mixed with high-temperature water in clay-lined pools. Most of the added organics and phosphate were removed from solution with half-times measured in minutes to a few hours. Analysis of the clay, primarily smectite and kaolin, showed that the organics were adsorbed to the mineral surfaces at the acidic pH of the pools, but could subsequently be released in basic solutions. These results help to constrain the range of possible environments for the origin of life. A site conducive to self-assembly of organic solutes would be an aqueous environment relatively low in ionic solutes, at an intermediate temperature range and neutral pH ranges, in which cyclic concentration of the solutes can occur by transient dry intervals. PMID:17008220

Surface water records of New Mexico, water year 1961

USGS Publications Warehouse

,

1962-01-01

The surface-water records for the 1961 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. L. Heckler, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water supply papers entitled "Surface Water Supply of the United States." Since 1951 there has been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports On a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey watersupply paper at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Surface water records of Indiana, 1962

USGS Publications Warehouse

,

1962-01-01

The surface-water records for the 1962 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1963

USGS Publications Warehouse

,

1963-01-01

The surface-water records for the 1963 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1964

USGS Publications Warehouse

,

1964-01-01

The surface-water records for the 1964 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

Surface water records of Indiana, 1961

USGS Publications Warehouse

,

1961-01-01

The surface-water records for the 1961 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

ON-SITE CAVITY LOCATION-SEISMIC PROFILING AT NEVADA TEST SITE

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

Forbes, C.B.; Peterson, R.A.; Heald, C.L.

1961-10-25

Experimental seismic studies were conducted at the Nevada Test Site for the purpose of designing and evaluating the most promising seismic techniques for on-site inspection. Post-explosion seismic profiling was done in volcanic tuff in the vicinity of the Rainier and Blanca underground explosions. Pre-explosion seismic profiling was done over granitic rock outcrops in the Climax Stock area, and over tuff at proposed location for Linen and Orchid. Near surface velocity profiling techniques based on measurements of seismic time-distance curves gave evidence of disturbances in near surface rock velocities over the Rainier and Refer als0 to abstract 30187. Blanca sites. Thesemore » disturbances appear to be related to near surface fracturing and spallation effects resulting from the reflection of the original intense compression wave pulse at the near surface as a tension pulse. Large tuned seismometer arrays were used for horizontal seismic ranging in an attempt to record back-scattered'' or reflected seismic waves from subsurface cavities or zones of rock fracturing around the underground explosions. Some possible seismic events were recorded from the near vicinities of the Rainier and Blanca sites. However, many more similar events were recorded from numerous other locations, presumably originating from naturally occurring underground geological features. No means was found for discriminating between artificial and natural events recorded by horizontal seismic ranging, and the results were, therefore, not immediately useful for inspection purposes. It is concluded that in some instances near surface velocity profiling methods may provide a useful tool in verifying the presence of spalled zones above underground nuclear explosion sites. In the case of horizontal seismic ranging it appears that successful application would require development of satisfactory means for recognition of and discrimination against seismic responses to naturally occurring geological features. It is further concluded that, although more sophisticated instrumentation systems can be conceived, the most promising returns for effort expended can be expected to come from increased experience, skill, and human ingenuity in applying existing techniques. The basic problem is in large part a geological one of differentiating seismic response to man made irregularities from that of natural features which are of a similar or greater size and universally proved. It would not appear realistic to consider the seismic tool as a proven routine device for giving clear answers in on-site inspection operations. Application must still be considered largely experimental. (auth)« less

Study on Site Conditions Based on Topographic Slope

NASA Astrophysics Data System (ADS)

Wu, X.; Wang, X.; Yuan, X.; Chen, M.; Dou, A.

2018-04-01

The travel-time averaged shear-wave velocity to a depth of 30m (Vs30) below the Earth's surface is widely used to classify sites in many building codes. Vs30 is also used to estimate site classification in recent ground-motion prediction equations (GMPEs), and the distribution of Vs30 has been mapped in a region or country. An alternative method has recently been proposed for evaluating global seismic site conditions or Vs30, from the SRTM (Shuttle Radar Topography Mission) DEMs (digital elevation models). The basic premise of the method is that the topographic slope can be used as a reliable proxy for Vs30 in the absence of geologically and geotechnically based site-condition maps through correlations between Vs30 measurements and topographic gradient. Here, we use different resolutions (3 arcsec, 30 arcsec) DEM data to get Vs30 data separately, analyze and compare the difference of Vs30 data and site conditions obtained from different resolution DEM data. Shandong Province in eastern China and Sichuan Province in Western China are studied respectively. It is found that the higher resolution data is better at defining spatial topographic features than the 30c data, but less improvement in its correlation with Vs30.

The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA.

PubMed

Popovic, Matija; Wienk, Hans; Coglievina, Maristella; Boelens, Rolf; Pongor, Sándor; Pintar, Alessandro

2014-04-01

Hairy and enhancer of split 1, one of the main downstream effectors in Notch signaling, is a transcriptional repressor of the basic helix-loop-helix (bHLH) family. Using nuclear magnetic resonance methods, we have determined the structure and dynamics of a recombinant protein, H1H, which includes an N-terminal segment, b1, containing functionally important phosphorylation sites, the basic region b2, required for binding to DNA, and the HLH domain. We show that a proline residue in the sequence divides the protein in two parts, a flexible and disordered N-terminal region including b1 and a structured, mainly helical region comprising b2 and the HLH domain. Binding of H1H to a double strand DNA oligonucleotide was monitored through the chemical shift perturbation of backbone amide resonances, and showed that the interaction surface involves not only the b2 segment but also several residues in the b1 and HLH regions. Copyright © 2014 Wiley Periodicals, Inc.

Effects of structure of fatty acid collectors on the adsorption of fluorapatite (0 0 1) surface: A first-principles calculations

NASA Astrophysics Data System (ADS)

Xie, Jun; Li, Xianhai; Mao, Song; Li, Longjiang; Ke, Baolin; Zhang, Qin

2018-06-01

Effects of carbon chain length, carbon chain isomerism, Cdbnd C double bonds number on fatty acid adsorption on FAP (0 0 1) surface have been investigated based on DFT. The results revealed that fatty acid collector can form stable adsorption configuration at Ca1 (surf) site. Chemical adsorption was formed between O (mole) of fatty acid collector and the Ca1 (surf) of fluorapatite (0 0 1) surface; hydrogen bond adsorption was formed between the H (mole) of fatty acid and the O (surf) of-[PO4]- of FAP (0 0 1) surface. Fatty acid collectors and FAP (0 0 1) surface are bonding by means of the hybridization of O (mole) 2p and Ca (surf) 4d orbitals, H (mole) 1s and O (surf) 2p orbital. The analysis of adsorption energy, DOS, electron density, Mulliken charge population and Mulliken bond population revealed that with the carbon chain growing within certain limits, the absolute value of the adsorption energy and the overlapping area between the DOS curve of O (mole) and Ca (surf) was greater, while that of H (mole) 1s and O (surf) 2p basically remained unchanged. As Cdbnd C double bonds of fatty acids increased within certain limits, the adsorption energy and the overlapping area between the state density curve of O (mole) and Ca (surf), H (mole) and O (surf) basically remained unchanged. The substituent groups of fatty acid changed, the absolute value of the adsorption energy and the overlapping area between the state density curve had a major change. The influence of fatty acids adsorption on FAP (0 0 1) surface depends mainly on the interaction between O (mole) and Ca (surf).

Surface-subsurface flow modeling: an example of large-scale research at the new NEON user facility

NASA Astrophysics Data System (ADS)

Powell, H.; McKnight, D. M.

2009-12-01

Climate change is predicted to alter surface-subsurface interactions in freshwater ecosystems. These interactions are hypothesized to control nutrient release at diel and seasonal time scales, which may then exert control over epilithic algal growth rates. The mechanisms underlying shifts in complex physical-chemical-biological patterns can be elucidated by long-term observations at sites that span hydrologic and climate gradients across the continent. Development of the National Ecological Observatory Network (NEON) will provide researchers the opportunity to investigate continental-scale patterns by combining investigator-driven measurements with Observatory data. NEON is a national-scale research platform for analyzing and understanding the impacts of climate change, land-use change, and invasive species on ecology. NEON features sensor networks and experiments, linked by advanced cyberinfrastructure to record and archive ecological data for at least 30 years. NEON partitions the United States into 20 ecoclimatic domains. Each domain hosts one fully instrumented Core Aquatic site in a wildland area and one Relocatable site, which aims to capture ecologically significant gradients (e.g. landuse, nitrogen deposition, urbanization). In the current definition of NEON there are 36 Aquatic sites: 30 streams/rivers and 6 ponds/lakes. Each site includes automated, in-situ sensors for groundwater elevation and temperature; stream flow (discharge and stage); pond water elevation; atmospheric chemistry (Tair, barometric pressure, PAR, radiation); and surface water chemistry (DO, Twater, conductivity, pH, turbidity, cDOM, nutrients). Groundwater and surface water sites shall be regularly sampled for selected chemical and isotopic parameters. The hydrologic and geochemical monitoring design provides basic information on water and chemical fluxes in streams and ponds and between groundwater and surface water, which is intended to support investigator-driven modeling studies. Theoretical constructs, such as the River Continuum Concept, that aim to elucidate general mechanistic underpinnings of freshwater ecosystem function via testable hypotheses about relative rates of photosynthesis and respiration, for example, may be readily examined using data collected at hourly time scales at the NEON facility once constructed. By taking advantage of NEON data and adding PI-driven research to the Observatory, we can further our understanding of the relative roles of water flow, nutrients, temperature, and light on freshwater ecosystem function and structure.

Versatile Surface Functionalization of Metal-Organic Frameworks through Direct Metal Coordination with a Phenolic Lipid Enables Diverse Applications

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

Zhu, Wei; Xiang, Guolei; Shang, Jin

Here, a novel strategy for the versatile functionalization of the external surface of metal-organic frameworks (MOFs) has been developed based on the direct coordination of a phenolic-inspired lipid molecule DPGG (1,2-dipalmitoyl-sn-glycero-3-galloyl) with metal nodes/sites surrounding MOF surface. X-ray diffraction and Argon sorption analysis prove that the modified MOF particles retain their structural integrity and porosity after surface modification. Density functional theory calculations reveal that strong chelation strength between the metal sites and the galloyl head group of DPGG is the basic prerequisite for successful coating. Due to the pH-responsive nature of metal-phenol complexation, the modification process is reversible by simplemore » washing in weak acidic water, showing an excellent regeneration ability for water-stable MOFs. Moreover, the colloidal stability of the modified MOFs in the nonpolar solvent allows them to be further organized into 2 dimensional MOF or MOF/polymer monolayers by evaporation-induced interfacial assembly conducted on an air/water interface. Lastly, the easy fusion of a second functional layer onto DPGG-modified MOF cores, enabled a series of MOF-based functional nanoarchitectures, such as MOFs encapsulated within hybrid supported lipid bilayers (so-called protocells), polyhedral core-shell structures, hybrid lipid-modified-plasmonic vesicles and multicomponent supraparticles with target functionalities, to be generated. for a wide range of applications.« less

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach.

PubMed

Gianfrancesco, Anthony G; Tselev, Alexander; Baddorf, Arthur P; Kalinin, Sergei V; Vasudevan, Rama K

2015-11-13

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ∼0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

The Ehrlich-Schwoebel barrier on an oxide surface: a combined Monte-Carlo and in situ scanning tunneling microscopy approach

NASA Astrophysics Data System (ADS)

Gianfrancesco, Anthony G.; Tselev, Alexander; Baddorf, Arthur P.; Kalinin, Sergei V.; Vasudevan, Rama K.

2015-11-01

The controlled growth of epitaxial films of complex oxides requires an atomistic understanding of key parameters determining final film morphology, such as termination dependence on adatom diffusion, and height of the Ehrlich-Schwoebel (ES) barrier. Here, through an in situ scanning tunneling microscopy study of mixed-terminated La5/8Ca3/8MnO3 (LCMO) films, we image adatoms and observe pile-up at island edges. Image analysis allows determination of the population of adatoms at the edge of islands and fractions on A-site and B-site terminations. A simple Monte-Carlo model, simulating the random walk of adatoms on a sinusoidal potential landscape using Boltzmann statistics is used to reproduce the experimental data, and provides an estimate of the ES barrier as ˜0.18 ± 0.04 eV at T = 1023 K, similar to those of metal adatoms on metallic surfaces. These studies highlight the utility of in situ imaging, in combination with basic Monte-Carlo methods, in elucidating the factors which control the final film growth in complex oxides.

SITE DEMONSTRATION OF THE BASIC EXTRACTIVE SLUDGE TREATMENT PROCESS

EPA Science Inventory

The Superfund Innovative Technology Evaluation (SITE) Program, in cooperation with EPA Region 5, the Great Lakes National Program Office (GLNPO), and the U.S. Army Corps of Engineers (COE) planned and executed a pilot-scla e evaluation of the Basic Extyractive Sludge Treatment (B...

Direct catalytic conversion of methane and light hydrocarbon gases. Quarterly report No. 10, January 1--March 31, 1989

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

Wilson, R.B. Jr.; Posin, B.M.; Chan, Yee Wai

The goal of this research is to develop catalysts that directly convert methane and light hydrocarbons to intermediates that later can be converted to either liquid fuels or value-added chemicals, as economics dictate. In this reporting period, we have utilized samples of magnesia differing in their pretreatment temperature. Both the hydrido-ruthenium complex H{sub 4}Ru{sub 4}(CO){sub 12} and its reaction product with triethyl aluminum were reacted with these samples. The two ruthenium clusters are expected to react with the magnesia surface in different ways: by deprotonation of the hydride through an acid-base reaction with the basic surface, or by hydrolysis ofmore » the aluminum-carbon bond of the triethyl aluminum adduct. The concentration of hydroxyl groups on the magnesia surface able to hydrolyze the aluminum-carbon bond for immobilation should vary depending on the temperature of the pretreatment; the concentration of basic sites which can deprotonate the cluster should also vary with temperature. These differences were borne out by the experiment. We also compared the activity of two batches of AlRu{sub 4}/MgO which had been synthesized at different times in the project. Both batches had approximately the same activity, but the newer batch had greater selectivity for C{sub 6+} hydrocarbons.« less

Effect of phosphorylation of myelin basic protein by MAPK on its interactions with actin and actin binding to a lipid membrane in vitro.

PubMed

Boggs, Joan M; Rangaraj, Godha; Gao, Wen; Heng, Yew-Meng

2006-01-17

Myelin basic protein (MBP) binds to negatively charged lipids on the cytosolic surface of oligodendrocyte membranes and is most likely responsible for adhesion of these surfaces in the multilayered myelin sheath. It can also polymerize actin, bundle F-actin filaments, and bind actin filaments to lipid bilayers through electrostatic interactions. MBP consists of a number of posttranslationally modified isomers of varying charge, some resulting from phosphorylation at several sites by different kinases, including mitogen-activated protein kinase (MAPK). Phosphorylation of MBP in oligodendrocytes occurs in response to various extracellular stimuli. Phosphorylation/dephosphorylation of MBP also occurs in the myelin sheath in response to electrical activity in the brain. Here we investigate the effect of phosphorylation of MBP on its interaction with actin in vitro by phosphorylating the most highly charged unmodified isomer, C1, at two sites with MAPK. Phosphorylation decreased the ability of MBP to polymerize actin and to bundle actin filaments but had no effect on the dissociation constant of the MBP-actin complex or on the ability of Ca2+-calmodulin to dissociate the complex. The most significant effect of phosphorylation on the MBP-actin complex was a dramatic reduction in its ability to bind to negatively charged lipid bilayers. The effect was much greater than that reported earlier for another charge isomer of MBP, C8, in which six arginines were deiminated to citrulline, resulting in a reduction of net positive charge of 6. These results indicate that although average electrostatic forces are the primary determinant of the interaction of MBP with actin, phosphorylation may have an additional effect due to a site-specific electrostatic effect or to a conformational change. Thus, phosphorylation of MBP, which occurs in response to various extracellular signals in both myelin and oligodendrocytes, attenuates the ability of MBP to polymerize and bundle actin and to bind it to a negatively charged membrane.

Generalized Models for Rock Joint Surface Shapes

PubMed Central

Du, Shigui; Hu, Yunjin; Hu, Xiaofei

2014-01-01

Generalized models of joint surface shapes are the foundation for mechanism studies on the mechanical effects of rock joint surface shapes. Based on extensive field investigations of rock joint surface shapes, generalized models for three level shapes named macroscopic outline, surface undulating shape, and microcosmic roughness were established through statistical analyses of 20,078 rock joint surface profiles. The relative amplitude of profile curves was used as a borderline for the division of different level shapes. The study results show that the macroscopic outline has three basic features such as planar, arc-shaped, and stepped; the surface undulating shape has three basic features such as planar, undulating, and stepped; and the microcosmic roughness has two basic features such as smooth and rough. PMID:25152901

A Model for Generation of Martian Surface Dust, Soil and Rock Coatings: Physical vs. Chemical Interactions, and Palagonitic Plus Hydrothermal Alteration

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Murchie, S.; Pieters, C.; Zent, A.

1999-01-01

This model is one of many possible scenarios to explain the generation of the current surface material on Mars using chemical, magnetic and spectroscopic data from Mars and geologic analogs from terrestrial sites. One basic premise is that there are physical and chemical interactions of the atmospheric dust particles and that these two processes create distinctly different results. Physical processes distribute dust particles on rocks, forming physical rock coatings, and on the surface between rocks forming soil units; these are reversible processes. Chemical reactions of the dust/soil particles create alteration rinds on rock surfaces or duricrust surface units, both of which are relatively permanent materials. According to this model the mineral components of the dust/soil particles are derived from a combination of "typical" palagonitic weathering of volcanic ash and hydrothermally altered components, primarily from steam vents or fumeroles. Both of these altered materials are composed of tiny particles, about 1 micron or smaller, that are aggregates of silicates and iron oxide/oxyhydroxide/sulfate phases. Additional information is contained in the original extended abstract.

Basic Research of Intrinsic Tamper Indication Markings Defined by Pulsed Laser Irradiation (Quad Chart).

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

Moody, Neville R.

Objective: We will research how short (ns) and ultrashort (fs) laser pulses interact with the surfaces of various materials to create complex color layers and morphological patterns. Method: We are investigating the site-specific, formation of microcolor features. Also, research includes a fundamental study of the physics underlying periodic ripple formation during femtosecond laser irradiation. Status of effort: Laser induced color markings were demonstrated on an increased number of materials (including metal thin films) and investigated for optical properties and microstructure. Technology that allows for marking curved surfaces (and large areas) has been implemented. We have used electro-magnetic solvers to modelmore » light-solid interactions leading to periodic surface ripple patterns. This includes identifying the roles of surface plasmon polaritons. Goals/Milestones: Research corrosion resistance of oxide color markings (salt spray, fog, polarization tests); Through modeling, investigate effects of multi-source scattering and interference on ripple patterns; Investigate microspectrophotometry for mapping color; and Investigate new methods for laser color marking curved surfaces and large areas.« less

Experimental and Computational Evidence of Highly Active Fe Impurity Sites on the Surface of Oxidized Au for the Electrocatalytic Oxidation of Water in Basic Media

DOE PAGES

Klaus, Shannon; Trotochaud, Lena; Cheng, Mu-Jeng; ...

2015-10-22

Addition of Fe to Ni- and Co-based (oxy)hydroxides has been shown to enhance the activity of these materials for electrochemical oxygen evolution. Here we show that Fe cations bound to the surface of oxidized Au exhibit enhanced oxygen evolution reaction (OER) activity. We find that the OER activity increases with increasing surface concentration of Fe. Density functional theory analysis of the OER energetics reveals that oxygen evolution over Fe cations bound to a hydroxyl-terminated oxidized Au (Fe-Au 2O 3) occurs at an overpotential ~0.3V lower than over hydroxylated Au 2O 3 (0.82V). This finding agrees well with experimental observations andmore » is a consequence of the more optimal binding energetics of OER reaction intermediates at Fe cations bound to the surface of Au 2O 3. These findings suggest that the enhanced OER activity reported recently upon low-potential cycling of Au may be due to surface Fe impurities rather than to "superactive" Au(III) surfaquo species.« less

Inference of dust opacities for the 1977 Martian great dust storms from Viking Lander 1 pressure data

NASA Technical Reports Server (NTRS)

Zurek, R. W.

1981-01-01

The tidal heating components for the dusty Martian atmosphere are computed based on dust optical parameters estimated from Viking Lander imaging data, and used to compute the variation of the tidal surface pressure components at the Viking Lander sites as a function of season and the total vertical extinction optical depth of the atmosphere. An atmospheric tidal model is used which is based on the inviscid, hydrostatic primitive equations linearized about a motionless basic state the temperature of which varies only with height, and the profiles of the tidal forcing components are computed using a delta-Eddington approximation to the radiative transfer equations. Comparison of the model results with the observed variations of surface pressure and overhead dust opacity at the Viking Lander 1 site reveal that the dust opacities and optical parameters derived from imaging data are roughly representative of the global dust haze necessary to reproduce the observed surface pressure amplitudes, with the exception of the model-inferred asymmetry parameter, which is smaller during the onset of a great storm. The observed preferential enhancement of the semidiurnal tide with respect to the diurnal tide during dust storm onset is shown to be due primarily to the elevation of the tidal heating source in a very dusty atmosphere.

Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

NASA Astrophysics Data System (ADS)

Salazar-Camacho, Carlos; Villalobos, Mario

2010-04-01

We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in goethite, may be performed for each preparation either by experimental determination of site saturation by an index ion (e.g., chromate), or by achieving congruency of proton adsorption data with those of ideal goethites when plotted as percentage of proton-reactive ( lbond2 FeOH + lbond2 Fe 3OH) sites occupied. The surface arsenate complexes proposed additionally explained: (1) the higher affinity of goethite for As(V) than for Cr(VI) at high pH, and thus the gentle slope of the arsenate pH adsorption edges; and (2) the lower adsorption capacity for As(V) than for Cr(VI) at low pH on low-surface area goethites, through incomplete lbond2 FeOH site occupancy of As(V). The model is very promising as a practical means of predicting the adsorption behavior of arsenate on any goethite preparation, and may extend to predictive capabilities for adsorption behavior of many other relevant oxyanions, as well as for explaining differences in ligand-promoted surface transformation processes on goethite as a function of particle size.

Basic Technology Tools for Administrators: Preparing for the New Millennium.

ERIC Educational Resources Information Center

Aguilera, Raymond; Hendricks, Joen M.

This paper suggests activities for school administrators to learn basic technology tools. Step-by-step instructions are provided for browsing and using the Internet, organizing favorite World Wide Web sites, and organizing Internet bookmarks. Interesting job search, legal, and professional organization Web sites for administrators are listed. A…

Microgravity

NASA Image and Video Library

2004-04-15

Ribbons is a program developed at UAB used worldwide to graphically depict complicated protein structures in a simplified format. The program uses sophisticated computer systems to understand the implications of protein structures. The Influenza virus remains a major causative agent for a large number of deaths among the elderly and young children and huge economic losses due to illness. Finding a cure will have a general impact both on the basic research of viral pathologists of fast evolving infectious agents and clinical treatment of influenza virus infection. The reproduction process of all strains of influenza are dependent on the same enzyme neuraminidase. Shown here is a segmented representation of the neuraminidase inhibitor compound sitting inside a cave-like contour of the neuraminidase enzyme surface. This cave-like formation present in every neuraminidase enzyme is the active site crucial to the flu's ability to infect. The space-grown crystals of neuraminidase have provided significant new details about the three-dimensional characteristics of this active site thus allowing researchers to design drugs that fit tighter into the site. Principal Investigator: Dr. Larry DeLucas

Are rapid population estimates accurate? A field trial of two different assessment methods.

PubMed

Grais, Rebecca F; Coulombier, Denis; Ampuero, Julia; Lucas, Marcelino E S; Barretto, Avertino T; Jacquier, Guy; Diaz, Francisco; Balandine, Serge; Mahoudeau, Claude; Brown, Vincent

2006-09-01

Emergencies resulting in large-scale displacement often lead to populations resettling in areas where basic health services and sanitation are unavailable. To plan relief-related activities quickly, rapid population size estimates are needed. The currently recommended Quadrat method estimates total population by extrapolating the average population size living in square blocks of known area to the total site surface. An alternative approach, the T-Square, provides a population estimate based on analysis of the spatial distribution of housing units taken throughout a site. We field tested both methods and validated the results against a census in Esturro Bairro, Beira, Mozambique. Compared to the census (population: 9,479), the T-Square yielded a better population estimate (9,523) than the Quadrat method (7,681; 95% confidence interval: 6,160-9,201), but was more difficult for field survey teams to implement. Although applicable only to similar sites, several general conclusions can be drawn for emergency planning.

Determination of the Basic Friction Angle of Rock Surfaces by Tilt Tests

NASA Astrophysics Data System (ADS)

Jang, Hyun-Sic; Zhang, Qing-Zhao; Kang, Seong-Seung; Jang, Bo-An

2018-04-01

Samples of Hwangdeung granite from Korea and Berea sandstone from USA, both containing sliding planes, were prepared by saw-cutting or polishing using either #100 or #600 grinding powders. Their basic friction angles were measured by direct shear testing, triaxial compression testing, and tilt testing. The direct shear tests and triaxial compression tests on the saw-cut, #100, and #600 surfaces indicated that the most reliable results were obtained from the #100 surface: basic friction angle of 29.4° for granite and 34.1° for sandstone. To examine the effect of surface conditions on the friction angle in tilt tests, the sliding angles were measured 50 times with two surface conditions (surfaces cleaned and not cleaned after each measurement). The initial sliding angles were high regardless of rock type and surface conditions and decreased exponentially as measurements continued. The characteristics of the sliding angles, differences between tilt tests, and dispersion between measurements in each test indicated that #100 surface produced the most reliable basic friction angle measurement. Without cleaning the surfaces, the average angles for granite (32 measurements) and sandstone (23 measurements) were similar to the basic friction angle. When 20-50 measurements without cleaning were averaged, the basic friction angle was within ± 2° for granite and ± 3° for sandstone. Sliding angles using five different tilting speeds were measured but the average was similar, indicating that tilting speed (between 0.2° and 1.6°/s) has little effect on the sliding angle. Sliding angles using four different sample sizes were measured with the best results obtained for samples larger than 8 × 8 cm.

Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters

NASA Astrophysics Data System (ADS)

Regti, Abdelmajid; Ayouchia, Hicham Ben El; Laamari, My Rachid; Stiriba, Salah Eddine; Anane, Hafid; Haddad, Mohammadine El

2016-12-01

The adsorption of cationic dyes, Basic Yellow (BY28) and Methylene Blue (MB) on a new activated carbon from medlar species were studied in both single and binary system. Some experimental parameters, namely, pH, amount of adsorbent and contact time are studied. Quantum chemical results indicate that the adsorption efficiency was directly related to the dye electrophilicity power. Some theorical parameters were calculated and proved that MB is more electrophilic than BY28, than greatest interaction with surface sites. Kinetic study showed that the adsorption follows the pseudo-second-order model and Freundlich was the best model to describe the phenomenon in the single and binary system. According to the local reactivity results using Parr functions, the sulphur and nitrogen atoms will be the main adsorption sites.

X-ray photoelectron spectroscopic study of the interaction of xanthate with coal pyrite and mineral pyrite surfaces

NASA Astrophysics Data System (ADS)

Khan, S. U. M.; Baltrus, J. P.; Lai, R. W.; Richardson, A. G.

1991-06-01

Coal pyrite and mineral pyrite surfaces were examined by X-ray photoelectron spectroscopy (XPS) before and after treatment in acidic and basic solutions of sodium ethyl xanthate (NaEtX). XPS showed that the degree of oxidation of coal and mineral pyrite surfaces increased when these pyrites were conditioned in basic solutions. However, conditioning in acidic solutions led to partial removal of surface oxidation from the pyrites. Addition of NaEtX to the acidic and basic solutions enhanced the removal of oxidation from pyrite surfaces. Pretreatment with sulfur dioxide further enhanced the removal of surface oxidation in the presence of NaEtX. Surface oxidation was typically less on mineral pyrite than coal pyrite surfaces following identical treatments. The flotation recoveries of the pyrites in the presence of NaEtX are greatest for the pyrites with the least amount of surface oxidation.

Water resources data for Indiana, 1965

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Indiana are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of Malcolm D. Hale, district engineer, Surface Water Branch. This report marks the beginning of a new method of presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Indiana were contained in Parts 3A, 4 and 5 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of coterminous United States will be further subdivided.

The surface chemical reactivity of particles and its impact on human health

NASA Astrophysics Data System (ADS)

Setyan, A.; Sauvain, J. J.; Riediker, M.; Guillemin, M.; Rossi, M. J.

2017-12-01

The chemical composition of the particle-air interface is the gateway to chemical reactions of gases with condensed phase particles. It is of prime importance to understand the reactivity of particles and their interaction with surrounding gases, biological membranes, and solid supports. We used a Knudsen flow reactor to quantify functional groups on the surface of a few selected particle types. This technique is based on a heterogeneous titration reaction between a probe gas and a specific functional group on the particle surface. Six probe gases have been selected for the identification and quantification of important functional groups: N(CH3)3 for the titration of acidic sites, NH2OH for the detection of carbonyl functions (aldehydes and ketones) and/or oxidized sites owing to its strong reducing properties, CF3COOH and HCl for basic sites of different strength, O3 and NO2 for oxidizable groups. We also studied the kinetics of the reactions between particles and probe gases (uptake coefficient γ0). We tested the surface chemical composition and oxidation states of laboratory-generated aerosols (3 amorphous carbons, 2 flame soots, 2 Diesel particles, 2 secondary organic aerosols [SOA], 4 multiwall carbon nanotubes [MWCNT], 3 TiO2, and 2 metal salts) and of aerosols sampled in several bus depots. The sampling of particles in the bus depots was accompanied by the collection of urine samples of mechanics working full-time in these bus depots, and the quantification of 8-hydroxy-2'-deoxyguanosine, a biomarker of oxidative stress. The increase in oxidative stress biomarker levels over a working day was correlated (p<0.05) with the number of olefinic and/or PAH sites on the surface of particles sampled at the bus depots, obtained from O3 uptakes, as well as with the initial uptake coefficient (γ0) of five probe gases used in the field. This correlation with γ0 suggests the idea of competing pathways occurring at the interface of the aerosol particles between the generation of reactive oxygen species (ROS) responsible for oxidative stress and cellular antioxidants.

Heterolytic Activation of Hydrogen Promoted by Ruthenium Nanoparticles immobilized on Basic Supports and Hydrogenation of Aromatic Compounds

NASA Astrophysics Data System (ADS)

Fang, Minfeng

Despite the aggressive development and deployment of new renewable and nuclear technologies, petroleum-derived transportation fuels---gasoline, diesel and jet fuels---will continue to dominate the markets for decades. Environmental legislation imposes severe limits on the tolerable proportion of aromatics, sulfur and nitrogen contents in transportation fuels, which is difficult to achieve with current refining technologies. Catalytic hydrogenation plays an important role in the production of cleaner fuels, both as a direct means to reduce the aromatics and as a key step in the hydrodenitrogenation (HDN) and hydrodesulfurization (HDS) processes. However, conventional catalysts require drastic conditions and/or are easily poisoned by S or N aromatics. Therefore, there is still a need for new efficient catalysts for hydrogenation reactions relevant to the production of cleaner fossil fuels. Our catalyst design involves metallic nanoparticles intimately associated with a basic support, with the aim of creating a nanostructure capable of promoting the heterolytic activation of hydrogen and ionic hydrogenation mechanisms, as a strategy to avoid catalyst poisoning and enhance catalytic activity. We have designed and prepared a new nanostructured catalytic material composed of RuNPs immobilized on the basic polymer P4VPy. We have demonstrated that the Ru/P4VPy catalyst can promote heterolytic hydrogen activation and a unique surface ionic hydrogenation mechanism for the efficient hydrogenation of N-aromatics. This is the first time these ionic hydrogenation pathways have been demonstrated on solid surfaces. For the RuNPs surfaces without basic sites in close proximity, the conventional homolytic H2 splitting is otherwise involved. Using the mechanistic concepts from Ru/P4VPy, we have designed and prepared the Ru/MgO catalyst, with the aim to improve the catalytic efficiency for the hydrogenation of heteroatom aromatics operating by the ionic hydrogenation mechanism. The Ru/MgO catalyst significantly improves the catalytic efficiency for hydrogenation of a variety of N-/S-heteroaromatics and mono-/polycyclic aromatic hydrocarbons representative of components of petroleum-derived fuels. The catalyst is superior to the few other known supported noble metal catalysts for these reactions. Mechanistic studies also point to the ionic hydrogenation mechanism on the Ru/MgO surfaces. In addition, the Ru/MgO catalyst is highly recyclable and long-lived.

Effects of CO2 adsorption on proton migration on a hydrated ZrO2 surface: an ab initio molecular dynamics study.

PubMed

Sato, Ryuhei; Shibuta, Yasushi; Shimojo, Fuyuki; Yamaguchi, Shu

2017-08-02

Hydration reactions on a carbonate-terminated cubic ZrO 2 (110) surface were analyzed using ab initio molecular dynamics (AIMD) simulations. After hydration reactions, carbonates were still present on the surface at 500 K. However, these carbonates are very weak conjugate bases and only act as steric hindrance in proton hopping processes between acidic chemisorbed H 2 O molecules (Zr-OH 2 ) and monodentate hydroxyl groups (Zr-OH - ). Similar to a carbonate-free hydrated surface, Zr-OH 2 , Zr-OH - , and polydentate hydroxyl groups ([double bond splayed left]OH + ) were observed, while the ratio of acidic Zr-OH 2 was significantly larger than that on the carbonate-free hydrated surface. A thermodynamic discussion and bond property analysis reveal that CO 2 adsorption significantly decreases the basicity of surface oxide ions ([double bond splayed left]O), whereas the acidity of Zr-OH 2 is not affected. As a result, protons released from [double bond splayed left]OH + react with Zr-OH - to form Zr-OH 2 , leading to a deficiency of proton acceptor sites, which decreases the proton conductivity by the hopping mechanism.

Mechanistic Insights into the Structure-Dependent Selectivity of Catalytic Furfural Conversion on Platinum Catalysts

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

Cai, Qiuxia; Wang, Jianguo; Wang, Yang-Gang

The effects of structure and size on the selectivity of catalytic furfural conversion over supported Pt catalysts in the presence of hydrogen have been studied using first principles density functional theory (DFT) calculations and microkinetic modeling. Four Pt model systems, i.e., periodic Pt(111), Pt(211) surfaces, as well as small nanoclusters (Pt13 and Pt55) are chosen to represent the terrace, step, and corner sites of Pt nanoparticles. Our DFT results show that the reaction routes for furfural hydrogenation and decarbonylation are strongly dependent on the type of reactive sites, which lead to the different selectivity. On the basis of the size-dependentmore » site distribution rule, we correlate the site distributions as a function of the Pt particle size. Our microkinetic results indicate the critical particle size that controls the furfural selectivity is about 1.0 nm, which is in good agreement with the reported experimental value under reaction conditions. This work was supported by National Basic Research Program of China (973 Program) (2013CB733501) and the National Natural Science Foundation of China (NSFC-21306169, 21176221, 21136001, 21101137 and 91334103). This work was also partially supported by the US Department of Energy (DOE), the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE’s Office of Biological and Environmental Research.« less

Characteristics of competitive uptake between Microcystin-LR and natural organic matter (NOM) fractions using strongly basic anion exchange resins.

PubMed

Dixit, Fuhar; Barbeau, Benoit; Mohseni, Madjid

2018-08-01

Microcystins are the most commonly occurring cyanotoxins, and have been extensively studied across the globe. In the present study, a strongly basic anion exchange resin was employed to investigate the removal of Microcystin-LR (MCLR), one of the most toxic microcystin variants. Factors influencing the uptake behavior included the MCLR and resin concentrations, resin dosage, and natural organic matter (NOM) characteristics, specifically, the charge density and molecular weight distribution of source water NOM. Equivalent background concentration (EBC) was employed to evaluate the competitive uptake between NOM and MCLR. The experimental data were compared with different mathematical and physical models and pore diffusion was determined as the rate-limiting step. The resin dose/solute concentration ratio played a key role in the MCLR uptake process and MCLR removal was attributed primarily to electrostatic attractions. Charge density and molecular weight distribution of the background NOM fractions played a major role in MCLR removal at lower resin dosages (200 mg/L ∼ 1 mL/L and below), where a competitive uptake was observed due to the limited exchange sites. Further, evidences of pore blockage and site reduction were also observed in the presence of humics and larger molecular weight organic fractions, where a four-fold reduction in the MCLR uptake was observed. Comparable results were obtained for laboratory studies on synthetic laboratory water and surface water under similar conditions. Given their excellent performance and low cost, anion exchange resins are expected to present promising potentials for applications involving the removal of removal of algal toxins and NOM from surface waters. Copyright © 2018 Elsevier Ltd. All rights reserved.

Opioid Receptor Function Is Regulated by Post-endocytic Peptide Processing*

PubMed Central

Gupta, Achla; Gomes, Ivone; Wardman, Jonathan; Devi, Lakshmi A.

2014-01-01

Most neuroendocrine peptides are generated in the secretory compartment by proteolysis of the precursors at classical cleavage sites consisting of basic residues by well studied endopeptidases belonging to the subtilisin superfamily. In contrast, a subset of bioactive peptides is generated by processing at non-classical cleavage sites that do not contain basic residues. Neither the peptidases responsible for non-classical cleavages nor the compartment involved in such processing has been well established. Members of the endothelin-converting enzyme (ECE) family are considered good candidate enzymes because they exhibit functional properties that are consistent with such a role. In this study we have explored a role for ECE2 in endocytic processing of δ opioid peptides and its effect on modulating δ opioid receptor function by using selective inhibitors of ECE2 that we had identified previously by homology modeling and virtual screening of a library of small molecules. We found that agonist treatment led to intracellular co-localization of ECE2 with δ opioid receptors. Furthermore, selective inhibitors of ECE2 and reagents that increase the pH of the acidic compartment impaired receptor recycling by protecting the endocytosed peptide from degradation. This, in turn, led to a substantial decrease in surface receptor signaling. Finally, we showed that treatment of primary neurons with the ECE2 inhibitor during recycling led to increased intracellular co-localization of the receptors and ECE2, which in turn led to decreased receptor recycling and signaling by the surface receptors. Together, these results support a role for differential modulation of opioid receptor signaling by post-endocytic processing of peptide agonists by ECE2. PMID:24847082

A boundary-layer model for Mars - Comparison with Viking lander and entry data

NASA Technical Reports Server (NTRS)

Haberle, Robert M.; Houben, Howard C.; Hertenstein, Rolf; Herdtle, Tomas

1993-01-01

A 1D boundary-layer model of Mars based on a momentum equation that describes friction, pressure gradient, and Coriolis forces is presented. Frictional forces and convective heating are computed using the level-2 turbulence closure theory of Mellor and Yamada (1974). The model takes into account the radiative effects of CO2 gas and suspended dust particles. Both radiation and convection depend on surface temperatures which are computed from a surface heat budget. Model predictions are compared with available observations from Viking landers. It is concluded that, in general, the model reproduces the basic features of the temperature data. The agreement is particularly good at entry time for the V L-2 site, where the model and observations are within several degrees at all levels for which data are available.

Inhibition of thrombin by functionalized C60 nanoparticles revealed via in vitro assays and in silico studies.

PubMed

Liu, Yanyan; Fu, Jianjie; Pan, Wenxiao; Xue, Qiao; Liu, Xian; Zhang, Aiqian

2018-01-01

The studies on the human toxicity of nanoparticles (NPs) are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs (C 60 NPs) have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C 60 NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C 60 NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C 60 NPs, of greater hydrophobicity and hydrogen bond (HB) donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive inhibitors. Molecular docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C 60 NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C 60 NPs relevant to their anticoagulation effect. Copyright © 2017. Published by Elsevier B.V.

Shear Model Development of Limestone Joints with Incorporating Variations of Basic Friction Coefficient and Roughness Components During Shearing

NASA Astrophysics Data System (ADS)

Mehrishal, Seyedahmad; Sharifzadeh, Mostafa; Shahriar, Korosh; Song, Jae-Jon

2017-04-01

In relation to the shearing of rock joints, the precise and continuous evaluation of asperity interlocking, dilation, and basic friction properties has been the most important task in the modeling of shear strength. In this paper, in order to investigate these controlling factors, two types of limestone joint samples were prepared and CNL direct shear tests were performed on these joints under various shear conditions. One set of samples were travertine and another were onyx marble with slickensided surfaces, surfaces ground to #80, and rough surfaces were tested. Direct shear experiments conducted on slickensided and ground surfaces of limestone indicated that by increasing the applied normal stress, under different shearing rates, the basic friction coefficient decreased. Moreover, in the shear tests under constant normal stress and shearing rate, the basic friction coefficient remained constant for the different contact sizes. The second series of direct shear experiments in this research was conducted on tension joint samples to evaluate the effect of surface roughness on the shear behavior of the rough joints. This paper deals with the dilation and roughness interlocking using a method that characterizes the surface roughness of the joint based on a fundamental combined surface roughness concept. The application of stress-dependent basic friction and quantitative roughness parameters in the continuous modeling of the shear behavior of rock joints is an important aspect of this research.

Visualization and Quality Control Web Tools for CERES Products

NASA Astrophysics Data System (ADS)

Mitrescu, C.; Doelling, D. R.; Rutan, D. A.

2016-12-01

The CERES project continues to provide the scientific community a wide variety of satellite-derived data products such as observed TOA broadband shortwave and longwave observed fluxes, computed TOA and Surface fluxes, as well as cloud, aerosol, and other atmospheric parameters. They encompass a wide range of temporal and spatial resolutions, suited to specific applications. Now in its 16-year, CERES products are mostly used by climate modeling communities that focus on global mean energetics, meridianal heat transport, and climate trend studies. In order to serve all our users, we developed a web-based Ordering and Visualization Tool (OVT). Using Opens Source Software such as Eclipse, java, javascript, OpenLayer, Flot, Google Maps, python, and others, the OVT Team developed a series of specialized functions to be used in the process of CERES Data Quality Control (QC). We mention 1- and 2-D histogram, anomaly, deseasonalization, temporal and spatial averaging, side-by-side parameter comparison, and others that made the process of QC far easier and faster, but more importantly far more portable. We are now in the process of integrating ground site observed surface fluxes to further facilitate the CERES project to QC the CERES computed surface fluxes. These features will give users the opportunity to perform their own comparisons of the CERES computed surface fluxes and observed ground site fluxes. An overview of the CERES OVT basic functions using Open Source Software, as well as future steps in expanding its capabilities will be presented at the meeting.

Catalysis in the Diels-Alder Cycloaddition of Biomass-Derived Furan and Methyl Acrylate by Transition Metal Oxide Surfaces.

NASA Astrophysics Data System (ADS)

Salavati-Fard, Taha; Jenness, Glen; Caratzoulas, Stavros; Doren, Douglas

Using computational methods, the catalytic effects of oxide surfaces on the Diels-Alder reaction between biomass-derived furan and methyl acrylate are investigated. The cycloadduct can be dehydrated later to produce methyl benzoic which is an important step toward benzoic acid production. Different systems such as clean, partially hydroxylated and fully hydroxylated ZrO2 are considered. The Langmuir and Eley-Rideal mechanisms are studied, as well. Our calculations show that the oxide surfaces catalyze the reaction significantly through the interaction of metal sites with the electron-poor reactant. The calculations are interpreted by making use of the total and projected electronic density of states and band structure of the catalyst. This material is based on work supported as part of the Catalysis Center for Energy Innovation, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001004.

First-Principles Studies on Deoxidizing Mechanism of V2O5 via Hydrogen

NASA Astrophysics Data System (ADS)

Zhang, Yanning; Jin, Mengting

With its high melting point, good plasticity and good corrosion resistance at low temperatures, vanadium has been widely used in the industries of iron and steel, aviation, energy storage, etc. However, the traditional manufacturing technologies of pure vanadium are usually connected with complex manufacturing processes, high costs and serious environment pollution, which more or less hindered its further applications. Recently, hydrogen gas has been considered as a promising reducing agent of V2O5, but experimental studies of deoxidization process of V2O5 single crystal surfaces were found to be extremely difficult. In this work, we perform extensive ab initio studies on the structural and electronic properties of different V2O5 surfaces, as well as the adsorption sites, diffusion and desorption processes of H on these surfaces as a dependence of depth. We found that H atoms adsorb at oxygen site to form surface hydroxyl (OH-) and further to form H2O on V2O5(010) surfaces, and the latter is easier to be desorbed compared with the former. But the desorption of H2O causes significant surface reconstructions, which makes the further deoxidization of V2O5 difficult, particularly on the V2O5 single-layer. Our theoretical results are instructive for understandings of the reduction mechanism of V2O5 by using a green agent of H2, and furthermore for the design of new experiments. Work was supported by the startup fund of China Thousand Young Talents, and National Basic Research Program of China (973 program, No: 2013CB934700). The calculations were supported by Tianhe2-JK in Beijing Computational Science Research Center.

First-principles calculation of adsorption of shale gas on CaCO3 (100) surfaces.

PubMed

Luo, Qiang; Pan, Yikun; Guo, Ping; Wang, Zhouhua; Wei, Na; Sun, Pengfei; Liu, Yuxiao

2017-06-16

To demonstrate the adsorption strength of shale gas to calcium carbonate in shale matrix, the adsorption of shale gas on CaCO3 (100) surfaces was studied using the first-principles method, which is based on the density functional theory (DFT). The structures and electronic properties of CH4, C2H6, CO2 and N2 molecules were calculated by the generalized gradient approximation (GGA), for a coverage of 1 monolayer (ML). Under the same conditions, the density of states (DOS) of CaCO3 (100) surfaces before and after the adsorption of shale gas molecules at high-symmetry adsorption sites were compared. The results showed that the adsorption energies of CH4, C2H6, CO2 and N2 on CaCO3 (100) surfaces were between 0.2683 eV and -0.7388 eV. When a CH4 molecule was adsorbed at a hollow site and its 2 hydrogen atoms were parallel to the long diagonal (H3) on the CaCO3 (100) surface, it had the most stable adsorption, and the adsorption energy was only -0.4160 eV. The change of adsorption energy of CH4 was no more than 0.0535 eV. Compared with the DOS distribution of CH4 before adsorption, it shifted to the left overall after adsorption. At the same time, the partial density of states (PDOS) curves of CaCO3 (100) surfaces before and after adsorption basically overlapped. This work showed that the adsorption effect of shale gas on calcium carbonate is very weak, and the adsorption is physisorption at the molecular level.

Satellite Ocean Data Tools in the high school classroom.

NASA Astrophysics Data System (ADS)

Tweedie, M.; Snyder, H. D.

2007-12-01

The NASA-sponsored Ocean Motion website (http://www.oceanmotion.org) documents the story of humankind's interest in and observations of surface currents from the early seafaring Polynesians to present day satellite observations. Ocean surface current patterns impact our lives through their influences on the weather, climate, commerce, natural disasters and sea life. The Ocean Motion web site provides inquiry based, classroom ready materials for high school teachers and students to study ocean surface currents. In addition to the information resources posted on the website, there are also investigations that lead students to explore patterns and relationships through data products (color- coded map images, time series graphs and data tables). These investigations are done through an interactive browser interface that provides access to a wealth of oceanography data. This presentation focuses on use of surface current data and models in student investigations to illustrate application of basic science principles found in high school science curriculum. Skills developed using data to discover patterns and relationships will serve students in other courses as well as empower them to become stewards of the Earths environment.

Mussel-Inspired Polydopamine Coating for Enhanced Thermal Stability and Rate Performance of Graphite Anodes in Li-Ion Batteries.

PubMed

Park, Seong-Hyo; Kim, Hyeon Jin; Lee, Junmin; Jeong, You Kyeong; Choi, Jang Wook; Lee, Hochun

2016-06-08

Despite two decades of commercial history, it remains very difficult to simultaneously achieve both high rate capability and thermal stability in the graphite anodes of Li-ion batteries because the stable solid electrolyte interphase (SEI) layer, which is essential for thermal stability, impedes facile Li(+) ion transport at the interface. Here, we resolve this longstanding challenge using a mussel-inspired polydopamine (PD) coating via a simple immersion process. The nanometer-thick PD coating layer allows the formation of an SEI layer on the coating surface without perturbing the intrinsic properties of the SEI layer of the graphite anodes. PD-coated graphite exhibits far better performances in cycling test at 60 °C and storage test at 90 °C than bare graphite. The PD-coated graphite also displays superior rate capability during both lithiation and delithiation. As evidenced by surface free energy analysis, the enhanced performance of the PD-coated graphite can be ascribed to the Lewis basicity of the PD, which scavenges harmful hydrofluoric acid and forms an intermediate triple-body complex among a Li(+) ion, solvent molecules, and the PD's basic site. The usefulness of the proposed PD coating can be expanded to various electrodes in rechargeable batteries that suffer from poor thermal stability and interfacial kinetics.

A model for the salt effect on adsorption equilibrium of basic protein to dye-ligand affinity adsorbent.

PubMed

Zhang, Songping; Sun, Yan

2004-01-01

A model describing the salt effect on adsorption equilibrium of a basic protein, lysozyme, to Cibacron Blue 3GA-modified Sepharose CL-6B (CB-Sepharose) has been developed. In this model, it is assumed that the presence of salt causes a fraction of dye-ligand molecules to lodge to the surface of the agarose gel, resulting from the induced strong hydrophobic interaction between dye ligand and agarose matrix. The salt effect on the lodging of dye-ligand is expressed by the equilibrium between salt and dye-ligand. For the interactions between protein and vacant binding sites, stoichiometric equations based either on cation exchanges or on hydrophobic interactions are proposed since the CB dye can be regarded as a cation exchanger contributed by the sulfonate groups on it. Combining with the basic concept of steric mass-action theory for ion exchange, which considers both the multipoint nature and the macromolecular steric shielding of protein adsorption, an explicit isotherm for protein adsorption equilibrium on the dye-ligand adsorbent is formulated, involving salt concentration as a variable. Analysis of the model parameters has yielded better understanding of the mechanism of salt effects on adsorption of the basic protein. Moreover, the model predictions are in good agreement with the experimental data over a wide range of salt and ligand concentrations, indicating the predictive nature of the model.

Synthesis of a highly dispersed CuO catalyst on CoAl-HT for the epoxidation of styrene.

PubMed

Hu, Rui; Yang, Pengfei; Pan, Yongning; Li, Yunpeng; He, Yufei; Feng, Junting; Li, Dianqing

2017-10-10

A highly dispersed CuO catalyst was prepared by the deposition-precipitation method and evaluated for the catalytic epoxidation of styrene with tert-butyl hydroperoxide (TBHP) as the oxidant under solvent acetonitrile conditions. Compared with MgAl hydrotalcite (MgAl-HT)-, MgO-, TiO 2 -, C-, and MCM-22-supported catalysts, CuO/CoAl-HT exhibited preferable activity and selectivity towards styrene oxide (72% selectivity at 99.5% styrene conversion) due to its high dispersion of CuO and surface area of Cu. The improved dispersion of CuO/CoAl-HT could be ascribed to the nature of HT support, especially the synergistic effect of acidic and basic sites on the surface, which facilitated the formation of highly dispersed CuO species. A structure-performance relationship study indicated that copper(ii) in CuO was the active site for the epoxidation and oxidation of styrene, and that Cu II of rich electronic density favored the improvement of selectivity of styrene oxide. Based on these results, a reaction mechanism was proposed. Moreover, the preferred catalytic performance of CuO/CoAl-HT could be maintained in five reused cycles.

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone

PubMed Central

Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

2018-01-01

MgGa layered double hydroxides (Mg/Ga = 2–4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH3-TPD, CO2-TPD, SEM, and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO2-TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO2-TPD curve was attributed to the decomposition of carbonates newly formed by CO2 interaction with interlayer carbonates rather than to CO2 desorption from basic sites. Accordingly, CO2-TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically no effect on the composition of reaction products suggesting that the basic sites in these catalysts acted similarly in aldol condensation of acetone with furfural. It was concluded that the properties of MgGa samples resembled in a great extent those of MgAl hydrotalcite-based materials and demonstrated their potential as catalysts for base-catalyzed reactions. PMID:29881721

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone.

PubMed

Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

2018-01-01

MgGa layered double hydroxides (Mg/Ga = 2-4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH 3 -TPD, CO 2 -TPD, SEM, and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO 2 -TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO 2 -TPD curve was attributed to the decomposition of carbonates newly formed by CO 2 interaction with interlayer carbonates rather than to CO 2 desorption from basic sites. Accordingly, CO 2 -TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically no effect on the composition of reaction products suggesting that the basic sites in these catalysts acted similarly in aldol condensation of acetone with furfural. It was concluded that the properties of MgGa samples resembled in a great extent those of MgAl hydrotalcite-based materials and demonstrated their potential as catalysts for base-catalyzed reactions.

Physico-chemical properties of MgGa mixed oxides and reconstructed layered double hydroxides and their performance in aldol condensation of furfural and acetone

NASA Astrophysics Data System (ADS)

Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

2018-05-01

MgGa layered double hydroxides (Mg/Ga=2-4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH3-TPD, CO2-TPD, SEM and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO2-TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T=450 °C on CO2-TPD curve was attributed to the decomposition of carbonates newly formed by CO2 interaction with interlayer carbonates rather than to CO2 desorption from basic sites. Accordingly, CO2-TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically no effect on the composition of reaction products suggesting that the basic sites in these catalysts acted similarly in aldol condensation of acetone with furfural. It was concluded that the properties of MgGa samples resembled in a great extent those of MgAl hydrotalcite-based materials and demonstrated their potential as catalysts for base-catalyzed reactions.

KSC-98pc1600

NASA Image and Video Library

1998-10-23

In the Spacecraft Assembly and Encapsulation Facility-2 (SAEF-2), KSC technicians guide the raised Mars Polar Lander to another site. The spacecraft is undergoing testing of science instruments and basic spacecraft subsystems. The solar-powered spacecraft, targeted for launch from Cape Canaveral Air Station aboard a Delta II rocket on Jan. 3, 1999, is designed to touch down on the Martian surface near the northern-most boundary of the south pole in order to study the water cycle there. The lander also will help scientists learn more about climate change and current resources on Mars, studying such things as frost, dust, water vapor and condensates in the Martian atmosphere

Evidence of protocarnivory in triggerplants (Stylidium spp.; Stylidiaceae).

PubMed

Darnowski, D W; Carroll, D M; Płachno, B; Kabanoff, E; Cinnamon, E

2006-11-01

Australian triggerplants (Stylidium spp.; Stylidiaceae) trap small insects using mucilage-secreting glandular hairs held at various points on their inflorescence stems and flower parts. Triggerplants are generally found in habitats also containing genera of plants already accepted as carnivorous, two of which (Drosera, Byblis) use the same basic mechanism as Stylidium to trap their prey. In the herbarium, sheets of triggerplants and of accepted groups of carnivorous plants held similar numbers of trapped insects, and in the field, trapping of small prey per unit of glandular surface area was the same at a given site for triggerplants and for nearby carnivorous plants at three sites in northern Australia. Even more important, protease activity was produced by glandular regions of both triggerplants and Drosera after induction with yeast extract. A panel of negative and positive controls, including use 1) of plants grown in tissue culture, which therefore lack surface microorganisms, and 2) of protease inhibitors, shows that this activity 1) is generated by the glandular regions of the triggerplant itself, not by organisms that might reside on the surface of the plants, and 2) is due to proteases. All of this evidence taken together provides strong evidence of protocarnivory in Stylidium, something not previously suggested in the scientific literature, though the insect trapping has been noted informally. Experiments remain to be done to determine nutrient uptake, so triggerplants may well be fully carnivorous.

Passive wireless surface acoustic wave sensors for monitoring sequestration sites CO 2 emission

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

Wang, Yizhong; Chyu, Minking; Wang, Qing-Ming

2013-02-14

University of Pittsburgh’s Transducer lab has teamed with the U.S. Department of Energy’s National Energy Technology Laboratory (DOE NETL) to conduct a comprehensive study to develop/evaluate low-cost, efficient CO 2 measuring technologies for geological sequestration sites leakage monitoring. A passive wireless CO 2 sensing system based on surface acoustic wave technology and carbon nanotube nanocomposite was developed. Surface acoustic wave device was studied to determine the optimum parameters. Delay line structure was adopted as basic sensor structure. CNT polymer nanocomposite was fabricated and tested under different temperature and strain condition for natural environment impact evaluation. Nanocomposite resistance increased for 5more » times under pure strain, while the temperature dependence of resistance for CNT solely was -1375ppm/°C. The overall effect of temperature on nanocomposite resistance was -1000ppm/°C. The gas response of the nanocomposite was about 10% resistance increase under pure CO 2 . The sensor frequency change was around 300ppm for pure CO 2 . With paralyne packaging, the sensor frequency change from relative humidity of 0% to 100% at room temperature decreased from over 1000ppm to less than 100ppm. The lowest detection limit of the sensor is 1% gas concentration, with 36ppm frequency change. Wireless module was tested and showed over one foot transmission distance at preferred parallel orientation.« less

VX fate on common matrices: evaporation versus degradation.

PubMed

Columbus, Ishay; Waysbort, Daniel; Marcovitch, Itzhak; Yehezkel, Lea; Mizrahi, Dana M

2012-04-03

A study of the volatilization rate of the nerve agent VX (O-ethyl S-2-(N,N-diisopropylamino)ethyl methylphosphonothiolate) from various urban matrices in a specially designed climatic chamber (model system) is described. The performance of the model system combined with the analytical procedure produced profiles of vapor concentration obtained from samples of VX dispersed as small droplets on the surfaces of the matrices. The results indicated that the bitumen-containing surfaces such as asphalt blocks and bitumen sheets conserve VX and slow-release part of it over a long period of time. No complete mass balance could be obtained for these surfaces. Influence of environmental and experimental parameters as well as the efficacy of decontamination procedure were also measured. From smooth surface tiles a fast release of VX was measured and almost a complete mass balance was obtained, which characterizes the behavior of inert surfaces. Experiments carried out on concrete blocks showed fast decay of the concentration profile along with a very poor reconstruction of the initial quantity of VX, implying that this matrix degraded VX actively due to its multiple basic catalytic sites. To complement this study, solid-state NMR measurements were compared to add data concerning agent-fate within the matrices.

Job Search or Basic Education Participation First: Which Improves Welfare Recipients' Earnings More in the Long Term?

ERIC Educational Resources Information Center

Hamilton, Gayle; Michalopoulos, Charles

2016-01-01

There is a longstanding debate about whether helping welfare recipients quickly find work or helping them to first obtain some basic education and training better improves their economic well-being. This brief contributes to the debate by presenting long-term findings from three sites in the seven-site National Evaluation of Welfare-to-Work…

Free bone graft reconstruction of irradiated facial tissue: Experimental effects of basic fibroblast growth factor stimulation

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

Eppley, B.L.; Connolly, D.T.; Winkelmann, T.

1991-07-01

A study was undertaken to evaluate the potential utility of basic fibroblast growth factor in the induction of angiogenesis and osseous healing in bone previously exposed to high doses of irradiation. Thirty New Zealand rabbits were evaluated by introducing basic fibroblast growth factor into irradiated mandibular resection sites either prior to or simultaneous with reconstruction by corticocancellous autografts harvested from the ilium. The fate of the free bone grafts was then evaluated at 90 days postoperatively by microangiographic, histologic, and fluorochrome bone-labeling techniques. Sequestration, necrosis, and failure to heal to recipient osseous margins was observed both clinically and histologically inmore » all nontreated irradiated graft sites as well as those receiving simultaneous angiogenic stimulation at the time of graft placement. No fluorescent activity was seen in these graft groups. In the recipient sites pretreated with basic fibroblast growth factor prior to placement of the graft, healing and reestablishment of mandibular contour occurred in nearly 50 percent of the animals. Active bone formation was evident at cortical margins adjacent to the recipient sites but was absent in the more central cancellous regions of the grafts.« less

Mass Spectrometry and Ion Mobility Characterization of Bioactive Peptide-Synthetic Polymer Conjugates.

PubMed

Alalwiat, Ahlam; Tang, Wen; Gerişlioğlu, Selim; Becker, Matthew L; Wesdemiotis, Chrys

2017-01-17

The bioconjugate BMP2-(PEO-HA) 2 , composed of a dendron with two monodisperse poly(ethylene oxide) (PEO) branches terminated by a hydroxyapatite binding peptide (HA), and a focal point substituted with a bone growth stimulating peptide (BMP2), has been comprehensively characterized by mass spectrometry (MS) methods, encompassing matrix-assisted laser desorption ionization (MALDI), electrospray ionization (ESI), tandem mass spectrometry (MS 2 ), and ion mobility mass spectrometry (IM-MS). MS 2 experiments using different ion activation techniques validated the sequences of the synthetic, bioactive peptides HA and BMP2, which contained highly basic amino acid residues either at the N-terminus (BMP2) or C-terminus (HA). Application of MALDI-MS, ESI-MS, and IM-MS to the polymer-peptide biomaterial confirmed its composition. Collision cross-section measurements and molecular modeling indicated that BMP2-(PEO-HA) 2 exists in several folded and extended conformations, depending on the degree of protonation. Protonation of all basic sites of the hybrid material nearly doubles its conformational space and accessible surface area.

Basic Information About the School Siting Guidelines

EPA Pesticide Factsheets

EPA's voluntary school siting guidelines provide recommendations for local school districts and community members on how to evaluate environmental factors to make the best possible school siting decisions.

Body Basics Library

MedlinePlus

... Body Basics articles explain just how each body system, part, and process works. Use this medical library to find out about basic human anatomy, how ... Teeth Skin, Hair, and Nails Spleen and Lymphatic System ... Visit the Nemours Web site. Note: All information on TeensHealth® is for ...

Interaction of NaOH solutions with silica surfaces

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

Rimsza, Jessica M.; Jones, Reese E.; Criscenti, Louise J.

Sodium adsorption on silica surfaces depends on the solution counter-ion. Here, we use NaOH solutions to investigate basic environments. Sodium adsorption on hydroxylated silica surfaces from NaOH solutions were investigated through molecular dynamics with a dissociative force field, allowing for the development of secondary molecular species. Furthermore, across the NaOH concentrations (0.01 M – 1.0 M), ~50% of the Na + ions were concentrated in the surface region, developing silica surface charges between –0.01 C/m 2 (0.01 M NaOH) and –0.76 C/m 2 (1.0 M NaOH) due to surface site deprotonation. Five inner-sphere adsorption complexes were identified, including monodentate, bidentate,more » and tridentate configurations and two additional structures, with Na + ions coordinated by bridging oxygen and hydroxyl groups or water molecules. Coordination of Na + ions by bridging oxygen atoms indicates partial or complete incorporation of Na + ions into the silica surface. Residence time analysis identified that Na + ions coordinated by bridging oxygen atoms stayed adsorbed onto the surface four times longer than the mono/bi/tridentate species, indicating formation of relatively stable and persistent Na + ion adsorption structures. Such inner-sphere complexes form only at NaOH concentrations of > 0.5 M. Na + adsorption and lifetimes have implications for the stability of silica surfaces.« less

Interaction of NaOH solutions with silica surfaces

DOE PAGES

Rimsza, Jessica M.; Jones, Reese E.; Criscenti, Louise J.

2018-01-16

Sodium adsorption on silica surfaces depends on the solution counter-ion. Here, we use NaOH solutions to investigate basic environments. Sodium adsorption on hydroxylated silica surfaces from NaOH solutions were investigated through molecular dynamics with a dissociative force field, allowing for the development of secondary molecular species. Furthermore, across the NaOH concentrations (0.01 M – 1.0 M), ~50% of the Na + ions were concentrated in the surface region, developing silica surface charges between –0.01 C/m 2 (0.01 M NaOH) and –0.76 C/m 2 (1.0 M NaOH) due to surface site deprotonation. Five inner-sphere adsorption complexes were identified, including monodentate, bidentate,more » and tridentate configurations and two additional structures, with Na + ions coordinated by bridging oxygen and hydroxyl groups or water molecules. Coordination of Na + ions by bridging oxygen atoms indicates partial or complete incorporation of Na + ions into the silica surface. Residence time analysis identified that Na + ions coordinated by bridging oxygen atoms stayed adsorbed onto the surface four times longer than the mono/bi/tridentate species, indicating formation of relatively stable and persistent Na + ion adsorption structures. Such inner-sphere complexes form only at NaOH concentrations of > 0.5 M. Na + adsorption and lifetimes have implications for the stability of silica surfaces.« less

Water resources data for New Mexico, water year 1965; Part 1. Surface water records

USGS Publications Warehouse

,

1966-01-01

The surface-water records for the 1965 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also Included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of W. E. Hale, District Chief, Water Resources Division. This report is the fifth In a series presenting, annually, basic data on surface-water records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled Surface Water Supply of the United States. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8 and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5~year intervals. These 5-year water-supply papers will show daily discharge and will be compi led On the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Water resources data for New Mexico, water year 1964; Part I. Surface water records

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1964 water year for gaging stations, partialrecord stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. L. Heckler, district engineer, Surface Water Branch. This report is the fourth in a series presenting, annually, basic data on surfacewater records by States. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data will be released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports will be limited and primarily for local needs. The records later will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Dissecting the steps of CO2 reduction: 1. The interaction of CO and CO2 with γ-Al2O3: an in situ FTIR study

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

Szanyi, Janos; Kwak, Ja Hun

2014-08-07

The adsorption of CO2 and CO was investigated on a pure γ-Al2O3 support material that has been used for the preparation of Pd and Ru catalysts for the catalytic reduction of CO2. The adsorption of CO2 resulted in the formation of carbonates, bicarbonates and linearly adsorbed CO2 species. The amount and the nature of the adsorbed species were dependent on the annealing temperature of the alumina support. On γ-Al2O3 annealed at 473 K mostly bicarbonates formed, while no adsorbed CO2 was seen on this highly hydroxylated surface. With increasing calcinations temperature, i.e., increasing extent of dehydroxylation, the amounts of bothmore » surface nitrates and linear adsorbed CO2 increased, but still the most abundant surface species were bicarbonates. Surface carbonates and adsorbed CO2 can readily be removed from the alumina surface, while bicarbonates are stable to elevated temperatures. The interaction of CO with γ-Al2O3 is much weaker than that of CO2. At room temperatures CO adsorbs only on Lewis acid sites, and can be readily removed by evacuation. At 100 K CO can probe different defect sites on the alumina surface (both Lewis acid sites and surface hydroxyls). Under no conditions we have observed the formation of any carbonates or bicarbonates upon the interaction of CO with the pure alumina support. In co-adsorption experiments CO competes for adsorption sites with the linearly adsorbed CO2 on the 773 K-annealed γ-Al2O3 surface; but it does not result in the desorption of CO2, rather in the increase of weakly-held carbonate production. After the removal of adsorbed CO, CO2 moves back to its original adsorption sites, i.e., Lewis acidic Al3+ centers. The exposure of a CO2-saturated γ-Al2O3 to H2O did not affect any of the adsorbed surface species. The findings of this study will be used to rationalize the results of our ongoing in situ and in operando studies on the reduction of CO2 on supported Pd and Ru catalysts. Acknowledgements: We gratefully acknowledge the US Department of Energy Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences for the support of this work. The synthesis and catalyst pre-treatment portion of the work described in this manuscript was supported by a Laboratory Directed Research and Development (LDRD) project at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle Memorial Institute. J.H.K. also acknowledges the support of this work by the 2013 Research Fund of UNIST (Ulsan National Institute of Science and Technology, Ulsan, Korea).« less

Importance of solid lipid nanoparticles (SLN) in various administration routes and future perspectives

PubMed Central

Üner, Melike; Yener, Gülgün

2007-01-01

Solid lipid nanoparticles (SLN) have been reported to be an alternative system to emulsions, liposomes, microparticles and their polymeric counterparts for various application routes since the early 1990s due to their advantages. Various research groups have also increasingly focused on improving their stability in body fluids after administration by coating of particles with hydrophilic molecules such as poly(ethylene)glycol (PEG) derivatives. Altering surface characteristics by coating SLN with hydrophilic molecules improves plasma stability and biodistribution, and subsequent bioavailability of drugs entrapped. Their storage stability is also increased. This paper basicly reviews types of SLN, principles of drug loading and models of drug incorporation. The influence of PEG coating on particle size and surface characteristics is discussed followed by alteration in pharmacokinetics and bioavailability of drugs in order to target the site of action via SLN. The future direction of research and clinical implications of SLN is also considered. PMID:18019829

Auto-assembly of nanometer thick, water soluble layers of plasmid DNA complexed with diamines and basic amino acids on graphite: Greatest DNA protection is obtained with arginine.

PubMed

Khalil, T T; Boulanouar, O; Heintz, O; Fromm, M

2017-02-01

We have investigated the ability of diamines as well as basic amino acids to condense DNA onto highly ordered pyrolytic graphite with minimum damage after re-dissolution in water. Based on a bibliographic survey we briefly summarize DNA binding properties with diamines as compared to basic amino acids. Thus, solutions of DNA complexed with these linkers were drop-cast in order to deposit ultra-thin layers on the surface of HOPG in the absence or presence of Tris buffer. Atomic Force Microscopy analyses showed that, at a fixed ligand-DNA mixing ratio of 16, the mean thickness of the layers can be statistically predicted to lie in the range 0-50nm with a maximum standard deviation ±6nm, using a simple linear law depending on the DNA concentration. The morphology of the layers appears to be ligand-dependent. While the layers containing diamines present holes, those formed in the presence of basic amino acids, except for lysine, are much more compact and dense. X-ray Photoelectron Spectroscopy measurements provide compositional information indicating that, compared to the maximum number of DNA sites to which the ligands may bind, the basic amino acids Arg and His are present in large excess. Conservation of the supercoiled topology of the DNA plasmids was studied after recovery of the complex layers in water. Remarkably, arginine has the best protection capabilities whether Tris was present or not in the initial solution. Copyright © 2016 Elsevier B.V. All rights reserved.

A Little Bit Can Go a Long Way: An Examination of Required Service in the Basic Communication Course

ERIC Educational Resources Information Center

McIntyre, Kristen A.; Sellnow, Deanna D.

2014-01-01

This study examines the utility of service-learning pedagogy in the general education basic communication course to meet service-learning outcomes, with an emphasis on civic engagement. Results of the data suggest that students in both a one-time service site and multiple-site condition indicated that the service experience enhanced three of the…

Localization of prefoldin interaction sites in the hyperthermophilic group II chaperonin and correlations between binding rate and protein transfer rate.

PubMed

Zako, Tamotsu; Murase, Yosuke; Iizuka, Ryo; Yoshida, Takao; Kanzaki, Taro; Ide, Naoki; Maeda, Mizuo; Funatsu, Takashi; Yohda, Masafumi

2006-11-17

Prefoldin is a molecular chaperone that captures a protein-folding intermediate and transfers it to a group II chaperonin for correct folding. The manner by which prefoldin interacts with a group II chaperonin is poorly understood. Here, we have examined the prefoldin interaction site in the archaeal group II chaperonin, comparing the interaction of two Thermococcus chaperonins and their mutants with Pyrococcus prefoldin by surface plasmon resonance. We show that the mutations of Lys250 and Lys256 of Thermococcus alpha chaperonin residues to Glu residues increase the affinity to Pyrococcus prefoldin to the level of Thermococcus beta chaperonin and Pyrococcus chaperonin, indicating that their Glu250 and Glu256 residues of the helical protrusion region are responsible for relatively stronger binding to Pyrococcus prefoldin than Thermococcus alpha chaperonin. Since the putative chaperonin binding sites in the distal ends of Pyrococcus prefoldin are rich in basic residues, electrostatic interaction seems to be important for their interaction. The substrate protein transfer rate from prefoldin correlates well with its affinity for chaperonin.

Neuraminidase Ribbon Diagram

NASA Technical Reports Server (NTRS)

2004-01-01

Ribbons is a program developed at UAB used worldwide to graphically depict complicated protein structures in a simplified format. The program uses sophisticated computer systems to understand the implications of protein structures. The Influenza virus remains a major causative agent for a large number of deaths among the elderly and young children and huge economic losses due to illness. Finding a cure will have a general impact both on the basic research of viral pathologists of fast evolving infectious agents and clinical treatment of influenza virus infection. The reproduction process of all strains of influenza are dependent on the same enzyme neuraminidase. Shown here is a segmented representation of the neuraminidase inhibitor compound sitting inside a cave-like contour of the neuraminidase enzyme surface. This cave-like formation present in every neuraminidase enzyme is the active site crucial to the flu's ability to infect. The space-grown crystals of neuraminidase have provided significant new details about the three-dimensional characteristics of this active site thus allowing researchers to design drugs that fit tighter into the site. Principal Investigator: Dr. Larry DeLucas

Analysis of the YouTube videos on basic life support and cardiopulmonary resuscitation.

PubMed

Tourinho, Francis Solange Vieira; de Medeiros, Kleyton Santos; Salvador, Pétala Tuani Candido De Oliveira; Castro, Grayce Loyse Tinoco; Santos, Viviane Euzébia Pereira

2012-01-01

To analyze the videos on the YouTube video sharing site, noting which points addressed in the videos related to CPR and BLS, based on the 2010 Guidelines for the American Heart Association (AHA). This was an exploratory, quantitative and qualitative research performed in the YouTube sharing site, using as keywords the expressions in Portuguese equivalent to the Medical Subject Headings (MeSH) "Cardiopulmonary Resuscitation" and "Basic Life Support" for videos that focused on the basic life support. The research totaled 260 videos over the two searches. Following the exclusion criteria, 61 videos remained. These mostly are posted by individuals and belong to the category Education. Moreover, most of the videos, despite being added to the site after the publication of the 2010 AHA Guidelines, were under the older 2005 guidelines. Although the video-sharing site YouTube is widely used today, it lacks videos about CPR and BLS that comply to the most recent AHA recommendations, which may negatively influence the population that uses it.

Influence of groundwater extraction on river flows and the surrounding ecosystem

NASA Astrophysics Data System (ADS)

Belova, Anna

2010-05-01

Influence of groundwater extraction on river flows and the surrounding ecosystem. Change of hydro-geological conditions and the conditions of environment connected with them? One of the most adverse consequences of the large centralised operation of underground waters coastal (riverine) water fences. Such situation is predicted on the Permilovsky deposit reconnoitered for water supply of Arkhangelsk. The projected water fence was planned in a valley of the river of Vajmugi on its left coast. The predesigns spent on hydrogeodynamic of model of a deposit, show that as a result of operation of underground waters the damage to a drain of the river Vajmuga approximately equal дебиту of a water fence that leads to a considerable shallowing of the river, especially during its periods маловодности, up to a drain total disappearance on a water fence site is formed. On the average, on territories of a deposit expenses of the river concerning natural state can be reduced more than to 50 %. Reduction of a river drain will lead to considerable negative consequences in environment, including: - changes in surface runoff, reduced groundwater levels, inhibit vegetation and changes in plant communities, draining wetlands, changing soil moisture conditions, a decrease of spring runoff, damage to forestry; - earth's surface subsidence, damage to streets and roads, buildings, structures and communications, drainage wells, the development of karst processes and suffosion; - the formation of deep depressions, capturing several zones of water exchange, which could lead to mixing of water of different chemical composition and mineralization of the runoff into surface water bodies, increase the nitrogen content in groundwater; - discontinuity separating the layers and the increased vulnerability of groundwater and surface water, the action of man-made agents. The aim of this study was a preliminary study of alternative schemes of exploitation of underground water deposits, in which damage to river flow, essentially inevitable, will be minimized. The alternative scheme provides reduction of productivity of the basic water fence during the periods critical aquaticity. During these periods, for preservation of volume of water giving, the additional (compensatory) water fence is entered into operation. Settlement remoteness compensatory water fence is defined by a condition that for rather short-term period (in low flow) water fence works, its hydrodynamic influence did not reach the river and basic water fence. At the same time, during the periods high aquaticity when compensatory water fence does not work, stocks водоносного horizon on the area of its depression should be restored completely. For use of this scheme it is necessary to define the periods of an inadmissible damage to a drain during which reduction discharge of the basic water fence both use compensatory water fence, and operational loading basic water fence and compensatory water fence during the periods of their teamwork is required. Is minimum admissible expense for the given territory should be defined after the special ecological analysis. For tentative estimations 2 variants are considered: 1) in the river of Vajmuga, in a water fence alignment, the expense not below 25 % from minimum low-flow natural size all-the-year-round should remain; 2) on a water fence site in the river the expense not below 25 % from mid-annual size should remain. For both variants the periods of reduction of productivity of the basic water fence are proved and introductions in operation of the compensatory water fence. Have been calculated values of reduction of productivity of the basic water fence, its new discharge and as discharge of the compensatory water fence. It is received that discharge of the basic water fence should be reduced to 35 and 37 % for the first and second settlement variants accordingly. The quantity of knots of chinks and their arrangement stole up in the course of modelling. It is as a result received that at use of the given scheme, the drain of the river of Vajmuga does not reach values below the critical. On model it is received that at work of the compensatory water fence the funnel is formed local depression, and settlement falls of levels do not reach basic water fence and the rivers. It means that operation of the compensatory water fence does not influence a river drain and is provided drawdown capacities aquifer horizon. Result of the performed work was the proof of basic possibility of the alternative scheme of operation of underground waters on a deposit at which change of a drain of the rivers will have admissible limits and will not cause essential changes of ecological conditions of territory as a whole.

A merged surface reflectance product from the Landsat and Sentinel-2 Missions

NASA Astrophysics Data System (ADS)

Vermote, E.; Claverie, M.; Masek, J. G.; Becker-Reshef, I.; Justice, C. O.

2013-12-01

This project is aimed at producing a merged surface product from the Landsat and Sentinel-2 missions to ultimately achieve high temporal coverage (~2 days repeat cycle) at high spatial resolution (20-60m). The goal is to achieve a seamless/consistent stream of surface reflectance data from the different sensors. The first part of this presentation discusses the basic requirements of such a product and the necessary processing steps: mainly calibration, atmospheric corrections, BRDF effect corrections, spectral band pass adjustments and gridding. We demonstrate the performance of those different corrections by using MODIS and VIIRS (Climate Modeling Grid at 0.05deg) data globally as well as Formosat-2 (8m spatial resolution) data (one crop site in South of France where 105 scenes were acquired during 2006-2010). The consistency of the surface reflectance product from MODIS and Formosat-2 ranges from 6 to 8% relative depending on the spectral bands (Green to NIR) with a bias between 2% (NIR) to 5% (green), which is acceptable given the cumulated limitation in cross-calibration, atmospheric correction and BRDF correction. The second part is devoted to the simulation of the merged Landsat and Sentinel-2 mission by using Landsat-7, LDCM (early) and SPOT-4 Take 5 dataset. SPOT-4 Take 5 dataset is a collection of 42 sites distributed globally and systematically acquired by SPOT-4 HRV every 5 days during the decommissioning phase of the SPOT4 mission (February-May 2013). Finally, the benefits of such a merged surface reflectance at high spatial and temporal resolution are discussed within the context of the agricultural monitoring, in particular in the perspective of the GEOGLAM (Global Earth Observation for Global Land Agriculture Monitoring) project.

Generation of basic centers in high-silica zeolites and their application in gas-phase upgrading of bio-oil.

PubMed

Keller, Tobias C; Rodrigues, Elodie G; Pérez-Ramírez, Javier

2014-06-01

High-silica zeolites have been reported recently as efficient catalysts for liquid- and gas-phase condensation reactions because of the presence of a complementary source of basicity compared to Al-rich basic zeolites. Herein, we describe the controlled generation of these active sites on silica-rich FAU, BEA, and MFI zeolites. Through the application of a mild base treatment in aqueous Na2CO3, alkali-metal-coordinating defects are generated within the zeolite whereas the porous properties are fully preserved. The resulting catalysts were applied in the gas-phase condensation of propanal at 673 K as a model reaction for the catalytic upgrading of pyrolysis oil, for which an up to 20-fold increased activity compared to the unmodified zeolites was attained. The moderate basicity of these new sites leads to a coke resistance superior to traditional base catalysts such as CsX and MgO, and comparable activity and excellent selectivity is achieved for the condensation pathways. Through strategic acid and base treatments and the use of magic-angle spinning NMR spectroscopy, the nature of the active sites was investigated, which supports the theory of siloxy sites as basic centers. This contribution represents a key step in the understanding and design of high-silica base catalysts for the intermediate deoxygenation of crude bio-oil prior to the hydrotreating step for the production of second-generation biofuels. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Association of Myosin IB with Actin Waves in Dictyostelium Requires Both the Plasma Membrane-Binding Site and Actin-Binding Region in the Myosin Tail

PubMed Central

Brzeska, Hanna; Pridham, Kevin; Chery, Godefroy; Titus, Margaret A.; Korn, Edward D.

2014-01-01

F-actin structures and their distribution are important determinants of the dynamic shapes and functions of eukaryotic cells. Actin waves are F-actin formations that move along the ventral cell membrane driven by actin polymerization. Dictyostelium myosin IB is associated with actin waves but its role in the wave is unknown. Myosin IB is a monomeric, non-filamentous myosin with a globular head that binds to F-actin and has motor activity, and a non-helical tail comprising a basic region, a glycine-proline-glutamine-rich region and an SH3-domain. The basic region binds to acidic phospholipids in the plasma membrane through a short basic-hydrophobic site and the Gly-Pro-Gln region binds F-actin. In the current work we found that both the basic-hydrophobic site in the basic region and the Gly-Pro-Gln region of the tail are required for the association of myosin IB with actin waves. This is the first evidence that the Gly-Pro-Gln region is required for localization of myosin IB to a specific actin structure in situ. The head is not required for myosin IB association with actin waves but binding of the head to F-actin strengthens the association of myosin IB with waves and stabilizes waves. Neither the SH3-domain nor motor activity is required for association of myosin IB with actin waves. We conclude that myosin IB contributes to anchoring actin waves to the plasma membranes by binding of the basic-hydrophobic site to acidic phospholipids in the plasma membrane and binding of the Gly-Pro-Gln region to F-actin in the wave. PMID:24747353

Master Plans for Park Sites.

ERIC Educational Resources Information Center

Van Meter, Jerry R.

This booklet is a general guide to park site planning. The four basic steps involved in developing a park site are a) determination of the uses of the site, b) analysis of the site potential for these uses, c) identification of the functional relationship among the uses, and d) coordination of the uses to the park sites. Uses of park sites are…

Combining Theory and Experiment for Multitechnique Characterization of Activated CO 2 on Transition Metal Carbide (001) Surfaces

DOE PAGES

Kunkel, Christian; Viñes, Francesc; Ramírez, Pedro J.; ...

2018-01-15

Early transition metal carbides (TMC; TM = Ti, Zr, Hf, V, Nb, Ta, Mo) with face-centered cubic crystallographic structure have emerged as promising materials for CO 2 capture and activation. Density functional theory (DFT) calculations using the Perdew–Burke–Ernzerhof exchange–correlation functional evidence charge transfer from the TMC surface to CO 2 on the two possible adsorption sites, namely, MMC and TopC, and the electronic structure and binding strength differences are discussed. Further, the suitability of multiple experimental techniques with respect to (1) adsorbed CO2 recognition and (2) MMC/TopC adsorption distinction is assessed from extensive DFT simulations. Results show that ultraviolet photoemissionmore » spectroscopies (UPS), work function changes, core level X-ray photoemission spectroscopy (XPS), and changes in linear optical properties could well allow for adsorbed CO2 detection. Only infrared (IR) spectra and scanning tunnelling microscopy (STM) seem to additionally allow for MMC/TopC adsorption site distinction. These findings are confirmed with experimental XPS measurements, demonstrating CO 2 binding on single crystal (001) surfaces of TiC, ZrC, and VC. The experiments also help resolving ambiguities for VC, where CO 2 activation was unexpected due to low adsorption energy, but could be related to kinetic trapping involving a desorption barrier. With a wealth of data reported and direct experimental evidence provided, this study aims to motivate further basic surface science experiments on an interesting case of CO 2 activating materials, allowing also for a benchmark of employed theoretical models.« less

Combining Theory and Experiment for Multitechnique Characterization of Activated CO 2 on Transition Metal Carbide (001) Surfaces

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

Kunkel, Christian; Viñes, Francesc; Ramírez, Pedro J.

Early transition metal carbides (TMC; TM = Ti, Zr, Hf, V, Nb, Ta, Mo) with face-centered cubic crystallographic structure have emerged as promising materials for CO 2 capture and activation. Density functional theory (DFT) calculations using the Perdew–Burke–Ernzerhof exchange–correlation functional evidence charge transfer from the TMC surface to CO 2 on the two possible adsorption sites, namely, MMC and TopC, and the electronic structure and binding strength differences are discussed. Further, the suitability of multiple experimental techniques with respect to (1) adsorbed CO2 recognition and (2) MMC/TopC adsorption distinction is assessed from extensive DFT simulations. Results show that ultraviolet photoemissionmore » spectroscopies (UPS), work function changes, core level X-ray photoemission spectroscopy (XPS), and changes in linear optical properties could well allow for adsorbed CO2 detection. Only infrared (IR) spectra and scanning tunnelling microscopy (STM) seem to additionally allow for MMC/TopC adsorption site distinction. These findings are confirmed with experimental XPS measurements, demonstrating CO 2 binding on single crystal (001) surfaces of TiC, ZrC, and VC. The experiments also help resolving ambiguities for VC, where CO 2 activation was unexpected due to low adsorption energy, but could be related to kinetic trapping involving a desorption barrier. With a wealth of data reported and direct experimental evidence provided, this study aims to motivate further basic surface science experiments on an interesting case of CO 2 activating materials, allowing also for a benchmark of employed theoretical models.« less

Before Mina Shaughnessy: Basic Writing at Yale, 1920-1960

ERIC Educational Resources Information Center

Ritter, Kelly

2008-01-01

This article examines Yale's "Awkward Squad" of "basic" writers between 1920 and 1960. Using archival materials that illustrate the socioeconomic conditions of this early, "pre-Shaughnessy" site of remedial writing instruction, I argue for a re-definition of "basic" in composition studies using local, institutional values rather than generic…

Effect of mechanical denaturation on surface free energy of protein powders.

PubMed

Mohammad, Mohammad Amin; Grimsey, Ian M; Forbes, Robert T; Blagbrough, Ian S; Conway, Barbara R

2016-10-01

Globular proteins are important both as therapeutic agents and excipients. However, their fragile native conformations can be denatured during pharmaceutical processing, which leads to modification of the surface energy of their powders and hence their performance. Lyophilized powders of hen egg-white lysozyme and β-galactosidase from Aspergillus oryzae were used as models to study the effects of mechanical denaturation on the surface energies of basic and acidic protein powders, respectively. Their mechanical denaturation upon milling was confirmed by the absence of their thermal unfolding transition phases and by the changes in their secondary and tertiary structures. Inverse gas chromatography detected differences between both unprocessed protein powders and the changes induced by their mechanical denaturation. The surfaces of the acidic and basic protein powders were relatively basic, however the surface acidity of β-galactosidase was higher than that of lysozyme. Also, the surface of β-galactosidase powder had a higher dispersive energy compared to lysozyme. The mechanical denaturation decreased the dispersive energy and the basicity of the surfaces of both protein powders. The amino acid composition and molecular conformation of the proteins explained the surface energy data measured by inverse gas chromatography. The biological activity of mechanically denatured protein powders can either be reversible (lysozyme) or irreversible (β-galactosidase) upon hydration. Our surface data can be exploited to understand and predict the performance of protein powders within pharmaceutical dosage forms. Copyright © 2016 Elsevier B.V. All rights reserved.

Native Plant Uptake Model for Radioactive Waste Disposal Areas at the Nevada Test Site

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

BROWN,THERESA J.; WIRTH,SHARON

1999-09-01

This report defines and defends the basic framework, methodology, and associated input parameters for modeling plant uptake of radionuclides for use in Performance Assessment (PA) activities of Radioactive Waste Management Sites (RWMS) at the Nevada Test Site (NTS). PAs are used to help determine whether waste disposal configurations meet applicable regulatory standards for the protection of human health, the environment, or both. Plants adapted to the arid climate of the NTS are able to rapidly capture infiltrating moisture. In addition to capturing soil moisture, plant roots absorb nutrients, minerals, and heavy metals, transporting them within the plant to the above-groundmore » biomass. In this fashion, plant uptake affects the movement of radionuclides. The plant uptake model presented reflects rooting characteristics important to plant uptake, biomass turnover rates, and the ability of plants to uptake radionuclides from the soil. Parameters are provided for modeling plant uptake and estimating surface contaminant flux due to plant uptake under both current and potential future climate conditions with increased effective soil moisture. The term ''effective moisture'' is used throughout this report to indicate the soil moisture that is available to plants and is intended to be inclusive of all the variables that control soil moisture at a site (e.g., precipitation, temperature, soil texture, and soil chemistry). Effective moisture is a concept used to simplify a number of complex, interrelated soil processes for which there are too little data to model actual plant available moisture. The PA simulates both the flux of radionuclides across the land surface and the potential dose to humans from that flux. Surface flux is modeled here as the amount of soil contamination that is transferred from the soil by roots and incorporated into aboveground biomass. Movement of contaminants to the surface is the only transport mechanism evaluated with the model presented here. Parameters necessary for estimating surface contaminant flux due to native plants expected to inhabit the NTS RWMSS are developed in this report. The model is specific to the plant communities found at the NTS and is designed for both short-term (<1,000 years) and long-term (>1,000 years) modeling efforts. While the model has been crafted for general applicability to any NTS PA, the key radionuclides considered are limited to the transuranic (TRU) wastes disposed of at the NTS.« less

Thermal Infrared Imager on Hayabusa2: Science and Development

NASA Astrophysics Data System (ADS)

Okada, Tatsuaki

2015-04-01

Thermal Infrared Imager TIR was developed and calibrated for Haya-busa2 asteroid explorer, aiming at the investigation of thermo-physical properties of C-class near-Earth sub-km sized asteroid (162173) 1999JU3. TIR is based on the 2D micro-bolometer array with germani-um lens to image the surface of asteroid in 8 to 12 μm wavelength (1), measuring the thermal emission off the asteroid surface. Its field of view is 16° x 12° with 328 x 248 pixels. At least 40 (up to 100) images will be taken during asteroid rotation once a week, mainly from the Home Position which is about 20km sunward from asteroid surface. Therefore TIR will image the whole asteroid with spatial resolution of < 20m per pixel, and the temperature profile of each site on the asteroid will be traced from dawn to dusk regions by asteroid rotation. The scien-tific objectives of TIR include the mapping of asteroid surface condi-tions (regional distribution of thermal inertia), since the surface physical conditions are strongly correlated with thermal inertia. It is so informa-tive on understanding the re-accretion or surface sedimentation process-es of the asteroid to be the current form. TIR data will be used for searching for those sites having the typical particle size of 1mm for best sample collection, and within the proper thermal condition for space-craft safe operation. After launch of Hayabusa2, TIR has been tested successfully, covering from -100 to 150 °C using a single parameter settings (2). This implies that TIR is actually able to map the surface other than the sunlit areas. Performance of TIR was found basically the same as those in the pre-launch test, when the temperature of TIR is well controlled. References: (1) Fukuhara T. et al., (2011) Earth Planet. Space 63, 1009-1018; (2) Okada T. et al., (2015) Lunar Planet. Sci. Conf. 46, #1331.

Progress Report on the US Critical Zone Observatory Program

NASA Astrophysics Data System (ADS)

Barrera, E. C.

2014-12-01

The Critical Zone Observatory (CZO) program supported by the National Science Foundation originated from the recommendation of the Earth Science community published in the National Research Council report "Basic Research Opportunities in Earth Sciences" (2001) to establish natural laboratories to study processes and systems of the Critical Zone - the surface and near-surface environment sustaining nearly all terrestrial life. After a number of critical zone community workshops to develop a science plan, the CZO program was initiated in 2007 with three sites and has now grown to 10 sites and a National Office, which coordinates research, education and outreach activities of the network. Several of the CZO sites are collocated with sites supported by the US Long Term Ecological Research (LTER) and the Long Term Agricultural Research (LTAR) programs, and the National Ecological Observatory Network (NEON). Future collaboration with additional sites of these networks will add to the potential to answer questions in a more comprehensive manner and in a larger regional scale about the critical zone form and function. At the international level, CZOs have been established in many countries and strong collaborations with the US program have been in place for many years. The next step is the development of a coordinated international program of critical zone research. The success of the CZO network of sites can be measured in transformative results that elucidate properties and processes controlling the critical zone and how the critical zone structure, stores and fluxes respond to climate and land use change. This understanding of the critical zone can be used to enhance resilience and sustainability, and restore ecosystem function. Thus, CZO science can address major societal challenges. The US CZO network is a facility open to research of the critical zone community at large. Scientific data and information about the US program are available at www.criticalzone.org.

Removal of basic dye (methylene blue) from wastewaters utilizing beer brewery waste.

PubMed

Tsai, Wen-Tien; Hsu, Hsin-Chieh; Su, Ting-Yi; Lin, Keng-Yu; Lin, Chien-Ming

2008-06-15

In the work, the beer brewery waste has been shown to be a low-cost adsorbent for the removal of basic dye from the aqueous solution as compared to its precursor (i.e., diatomite) based on its physical and chemical characterizations including surface area, pore volume, scanning electron microscopy (SEM), and non-mineral elemental analyses. The pore properties of this waste were significantly larger than those of its raw material, reflecting that the trapped organic matrices contained in the waste probably provided additional adsorption sites and/or adsorption area. The results of preliminary adsorption kinetics showed that the diatomite waste could be directly used as a potential adsorbent for removal of methylene blue on the basis of its adsorption-biosorption mechanisms. The adsorption parameters thus obtained from the pseudo-second-order model were in accordance with their pore properties. From the results of adsorption isotherm at 298 K and the applicability examinations in treating industrial wastewater containing basic dye, it was further found that the adsorption capacities of diatomite waste were superior to those of diatomite, which were also in good agreement with their corresponding physical properties. From the results mentioned above, it is feasible to utilize the food-processing waste for removing dye from the industrial dying wastewater.

Theoretical evaluation on selective adsorption characteristics of alkali metal-based sorbents for gaseous oxidized mercury.

PubMed

Tang, Hongjian; Duan, Yufeng; Zhu, Chun; Cai, Tianyi; Li, Chunfeng; Cai, Liang

2017-10-01

Alkali metal-based sorbents are potential for oxidized mercury (Hg 2+ ) selective adsorption but show hardly effect to elemental mercury (Hg 0 ) in flue gas. Density functional theory (DFT) was employed to investigate the Hg 0 and HgCl 2 adsorption mechanism over alkali metal-based sorbents, including calcium oxide (CaO), magnesium oxide (MgO), potassium chloride (KCl) and sodium chloride (NaCl). Hg 0 was found to weakly interact with CaO (001), MgO (001), KCl (001) and NaCl (001) surfaces while HgCl 2 was effectively adsorbed on top-O and top-Cl sites. Charge transfer and bond population were calculated to discuss the covalency and ionicity of HgCl 2 bonding with the adsorption sites. The partial density of states (PDOS) analysis manifests that HgCl 2 strongly interacts with surface sites through the orbital hybridizations between Hg and top O or Cl. Frontier molecular orbital (FMO) energy and Mulliken electronegativity are introduced as the quantitative criteria to evaluate the reactivity of mercury species and alkali metal-based sorbents. HgCl 2 is identified as a Lewis acid and more reactive than Hg 0 . The Lewis basicity of the four alkali metal-based sorbents is predicted as the increasing order: NaCl < MgO < KCl < CaO, in consistence with the trend of HgCl 2 adsorption energies. Copyright © 2017 Elsevier Ltd. All rights reserved.

Contamination mechanisms of air basin with tritium in venues of underground nuclear explosions at the former Semipalatinsk test site.

PubMed

Lyakhova, O N; Lukashenko, S N; Larionova, N V; Tur, Y S

2012-11-01

During the period of testing from 1945 to 1962 at the territory of Semipalatinsk test site (STS) within the Degelen Mountains in tunnels, 209 underground nuclear explosions were produced. Many of the tunnels have seasonal water seepage in the form of streams, through which tritium migrates from the underground nuclear explosion (UNE) venues towards the surface. The issue of tritium contamination occupies a special place in the radioactive contamination of the environment. In this paper we assess the level and distribution of tritium in the atmospheric air of ecosystems with water seepage at tunnels № 176 and № 177, located on "Degelen" site. There has been presented general nature of tritium distribution in the atmosphere relative to surface of a watercourse which has been contaminated with tritium. The basic mechanisms were studied for tritium distribution in the air of studied ecosystems, namely, the distribution of tritium in the systems: water-atmosphere, tunnel air-atmosphere, soil water-atmosphere, vegetation-atmosphere. An analytical calculation of tritium concentration in the atmosphere by the concentration of tritium in water has been performed. There has experimentally obtained the dependence for predictive assessment of tritium concentrations in air as a function of tritium concentration in one of the inlet sources such as water, tunnel air, soil water, vegetation, etc.. The paper also describes the general nature of tritium distribution in the air in the area "Degelen". Copyright © 2012 Elsevier Ltd. All rights reserved.

Spatial characterization, risk assessment, and statistical source identification of the dissolved trace elements in the Ganjiang River-feeding tributary of the Poyang Lake, China.

PubMed

Zhang, Hua; Jiang, Yinghui; Wang, Min; Wang, Peng; Shi, Guangxun; Ding, Mingjun

2017-01-01

Surface water samples were collected from 20 sampling sites throughout the Ganjiang River during pre-monsoon, monsoon, and post-monsoon seasons, and the concentrations of dissolved trace elements were determined by inductively coupled plasma-mass spectrometry (ICP-MS) for the spatial and seasonal variations, risk assessment, source identification, and categorization for risk area. The result demonstrated that concentrations of the elements exhibited significant seasonality. The high total element concentrations were detected at sites close to the intensive mining and urban activities. The concentrations of the elements were under the permissible limits as prescribed by related standards with a few exceptions. The most of heavy metal pollution index (HPI) values were lower than the critical index limit, indicating the basically clean water used as habitat for aquatic life. As was identified as the priority pollutant of non-carcinogenic and carcinogenic concerns, and the inhabitants ingesting the surface water at particular site might be subjected to the integrated health risks for exposure to the mixed trace elements. Multivariate statistical analyses confirmed that Zn, As, Cd, and Tl were derived from mining and urban activities; V, Cd, and Pb exhibited mixed origin; and Co, Ni, and Cu mainly resulted from natural processes. Three categorized risk areas corresponded to high, moderate, and low risks, respectively. As a whole, the upstream of the Ganjiang River was identified as the high-risk area relatively.

Spontaneous Cracking in Unfired Magnesia Compacts Upon Standing in Air

NASA Technical Reports Server (NTRS)

Davies, Myron O.; Grimes, Hubert H.; May, Charles E.

1961-01-01

Analytical-grade magnesium oxide powder without binder was compressed hydrostatically to 50,000 lb. per sq. in. to form compacts. When exposed to moist air immediately after pressing, these compacts developed irregularly shaped cracks. Controlled tests, in which these compacts were exposed for various lengths of time to various atmospheres, indicated that in general water vapor, carbon dioxide, and residual stresses had to be present if cracking was to occur. The probable cause of the cracking was the formation of a less dense and mechanically weak basic carbonate of magnesium at crystallite surface points of high stress concentration which developed during the compacting. The adsorption of dry CO2 at such sites prevented subsequent delayed fracture.

Factors Influencing NO2 Adsorption/Reduction on Microporous Activated Carbon: Porosity vs. Surface Chemistry

PubMed Central

Ghouma, Imen; Limousy, Lionel; Bennici, Simona

2018-01-01

The textural properties and surface chemistry of different activated carbons, prepared by the chemical activation of olive stones, have been investigated in order to gain insight on the NO2 adsorption mechanism. The parent chemical activated carbon was prepared by the impregnation of olive stones in phosphoric acid followed by thermal carbonization. Then, the textural properties and surface chemistry were modified by chemical treatments including nitric acid, sodium hydroxide and/or a thermal treatment at 900 °C. The main properties of the parent and modified activated carbons were analyzed by N2-adsorption, scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) techniques, in order to enlighten the modifications issued from the chemical and thermal treatments. The NO2 adsorption capacities of the different activated carbons were measured in fixed bed experiments under 500 ppmv NO2 concentrations at room temperature. Temperature programmed desorption (TPD) was applied after adsorption tests in order to quantify the amount of the physisorbed and chemisorbed NO2. The obtained results showed that the development of microporosity, the presence of oxygen-free sites, and the presence of basic surface groups are key factors for the efficient adsorption of NO2. PMID:29670008

Toward quantitative electrochemical measurements on the nanoscale by scanning probe microscopy: environmental and current spreading effects.

PubMed

Arruda, Thomas M; Kumar, Amit; Jesse, Stephen; Veith, Gabriel M; Tselev, Alexander; Baddorf, Arthur P; Balke, Nina; Kalinin, Sergei V

2013-09-24

The application of electric bias across tip-surface junctions in scanning probe microscopy can readily induce surface and bulk electrochemical processes that can be further detected though changes in surface topography, Faradaic or conductive currents, or electromechanical strain responses. However, the basic factors controlling tip-induced electrochemical processes, including the relationship between applied tip bias and the thermodynamics of local processes, remains largely unexplored. Using the model Li-ion reduction reaction on the surface in Li-ion conducting glass ceramic, we explore the factors controlling Li-metal formation and find surprisingly strong effects of atmosphere and back electrode composition on the process. We find that reaction processes are highly dependent on the nature of the counter electrode and environmental conditions. Using a nondepleting Li counter electrode, Li particles could grow significantly larger and faster than a depleting counter electrode. Significant Li ion depletion leads to the inability for further Li reduction. Time studies suggest that Li diffusion replenishes the vacant sites after ∼12 h. These studies suggest the feasibility of SPM-based quantitative electrochemical studies under proper environmental controls, extending the concepts of ultramicroelectrodes to the single-digit nanometer scale.

The Broken Belt: Meteorite Concentrations on Stranded Ice

NASA Technical Reports Server (NTRS)

Harvey, R. P.

2003-01-01

Since the first Antarctic meteorite concentrations were discovered more than 25 years ago, many theories regarding the role of iceflow in the production of meteorite concentrations have been put forward, and most agree on the basic principles. These models suggest that as the East Antarctic icesheet flows toward the margins of the continent, meteorites randomly located within the volume of ice are transported toward the icesheet margin. Where mountains or subsurface obstructions block glacial flow, diversion of ice around or over an obstruction reduces horizontal ice movement rates adjacent to the barriers and creates a vertical (upward) component of movement. If local mechanisms for ice loss (ablation) exist at such sites, an equilibrium surface will develop according to the balance between ice supply and loss, and the cargo of meteorites is exhumed on a blue ice surface. The result is a conceptual conveyor belt bringing meteorite-bearing volumes of ice from the interior of the continent to stagnant or slowmoving surfaces where ice is then lost and a precious cargo is left as a lag deposit. Cassidy et al. provides an excellent overview of how this model has been adapted to several Antarctic stranding surfaces.

Significant Enhancement of Photocatalytic Reduction of CO2 with H2O over ZnO by the Formation of Basic Zinc Carbonate.

PubMed

Xin, Chunyu; Hu, Maocong; Wang, Kang; Wang, Xitao

2017-07-11

Electron-hole pair separation efficiency and adsorption performance of photocatalysts to CO 2 are the two key factors affecting the performance of photocatalytic CO 2 reduction with H 2 O. Distinct from conventional promoter addition, this study proposed a novel approach to address these two issues by tuning the own surface features of semiconductor photocatalyst. Three ZnO samples with different morphologies, surface area, and defect content were fabricated by varying preparation methods, characterized by XRD, TEM, and room-temperature PL spectra, and tested in photoreduction of CO 2 with H 2 O. The results show that the as-prepared porous ZnO nanosheets exhibit a much higher activity for photoreduction of CO 2 with H 2 O when compared to ZnO nanoparticles and nanorods attributed to the existence of more defect sites, that is, zinc and oxygen vacancies. These defects would lower the combination rate of electron-hole pair as well as promote the formation of basic zinc carbonate by Lewis acid-base interaction, which is the active intermediate species for photoreduction of CO 2 . ZnO nanoparticles and ZnO nanorods with few defects show weak adsorption for CO 2 leading to the inferior photocatalytic activities. This work provides new insight on the CO 2 activation under light irradiation.

Surface roughness formation during shot peen forming

NASA Astrophysics Data System (ADS)

Koltsov, V. P.; Vinh, Le Tri; Starodubtseva, D. A.

2018-03-01

Shot peen forming (SPF) is used for forming panels and skins, and for hardening. As a rule, shot peen forming is performed after milling. Surface roughness is a complex structure, a combination of an original microrelief and shot peen forming indentations of different depths and chaotic distribution along the surface. As far as shot peen forming is a random process, surface roughness resulted from milling and shot peen forming is random too. During roughness monitoring, it is difficult to determine the basic surface area which would ensure accurate results. It can be assumed that the basic area depends on the random roughness which is characterized by the degree of shot peen forming coverage. The analysis of depth and shot peen forming indentations distribution along the surface made it possible to identify the shift of an original center profile plane and create a mathematical model for the arithmetic mean deviation of the profile. Experimental testing proved model validity and determined an inversely proportional dependency of the basic area on the degree of coverage.

Tailings Pond Characterization And Designing Through Geophysical Surveys In Dipping Sedimentary Formations

NASA Astrophysics Data System (ADS)

Muralidharan, D.; Andrade, R.; Anand, K.; Sathish, R.; Goud, K.

2009-12-01

Mining activities results into generation of disintegrated waste materials attaining increased mobilization status and requires a safe disposal mechanism through back filling process or secluded storage on surface with prevention of its interaction with environment cycle. The surface disposal of waste materials will become more critical in case of mined minerals having toxic or radioactive elements. In such cases, the surface disposal site is to be characterized for its sub-surface nature to understand its role in environmental impact due to the loading of waste materials. Near surface geophysics plays a major role in mapping the geophysical characters of the sub-surface formations in and around the disposal site and even to certain extent helps in designing of the storage structure. Integrated geophysical methods involving resistivity tomography, ground magnetic and shallow seismic studies were carried out over proposed tailings pond area of 0.3 sq. kms underlined by dipping sedimentary rocks consisting of ferruginous shales and dolomitic to siliceous limestone with varying thicknesses. The investigated site being located in tectonically disturbed area, geophysical investigations were carried out with number of profiles to visualize the sub-surface nature with clarity. The integration of results of twenty profiles of resistivity tomography with 2 m (shallow) and 10 m (moderate depth) electrode spacing’s enabled in preparing probable sub-surface geological section along the strike direction of the formation under the tailings pond with some geo-tectonic structure inferred to be a fault. Similarly, two resistivity tomography profiles perpendicular to the strike direction of the formations brought out the existence of buried basic intrusive body on the northern boundary of the proposed tailings pond. Two resistivity tomography profiles in criss-cross direction over the suspected fault zone confirmed fault existence on the north-eastern part of tailings pond. Thirty two magnetic profiles inside the tailings pond and surrounding areas on the southern part of the tailings pond enabled in identifying two parallel east-west intrusive bodies forming the impermeable boundary for the tailings pond. The shallow seismic refraction and the geophysical studies in and around the proposed tailings pond brought out the suitability of the site, even when the toxic elements percolates through the subsurface formations in to the groundwater system, the existence of dykes on either side of the proposed ponding area won’t allow the water to move across them thus by restricting the contamination within the tailings pond area. Similarly, the delineation of a fault zone within the tailings pond area helped in shifting the proposed dam axis of the pond to avoid leakage through the fault zone causing concern to environment pollution.

Instability of a solidifying binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.

1982-01-01

An analysis is performed on the stability of a solidifying binary mixture due to surface tension variation of the free liquid surface. The basic state solution is obtained numerically as a nonstationary function of time. Due to the time dependence of the basic state, the stability analysis is of the global type which utilizes a variational technique. Also due to the fact that the basic state is a complex function of both space and time, the stability analysis is performed through numerical means.

Determination of the location of positive charges in gas-phase polypeptide polycations by tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Kjeldsen, Frank; Savitski, Mikhail M.; Adams, Christopher M.; Zubarev, Roman A.

2006-06-01

Location of protonated sites in electrospray-ionized gas-phase peptides and proteins was performed with tandem mass spectrometry using ion activation by both electron capture dissociation (ECD) and collisional activation dissociation (CAD). Charge-carrying sites were assigned based on the increment in the charge state of fragment ions compared to that of the previous fragment in the same series. The property of ECD to neutralize preferentially the least basic site was confirmed by the analysis of three thousand ECD mass spectra of doubly charged tryptic peptides. Multiply charged cations of bradykinin, neurotensin and melittin were studied in detail. For n+ precursors, ECD revealed the positions of (n - 1) most basic sites, while CAD could in principle locate alln charges. However, ECD introduced minimal proton mobilization and produced more conclusive data than CAD, for which N- and C-terminal data often disagreed. Consistent with the dominance of one charge conformer and its preservation in ECD, the average charge states of complementary fragments of n+ ions almost always added up to (n - 1)+, while the similar figure in CAD often deviated from n+, indicating extensive charge isomerization under collisional excitation. For bradykinin and neurotensin, the charge assignments were largely in agreement with the intrinsic gas-phase basicity of the respective amino acid residues. For melittin ions in higher charge states, ECD revealed the charging at both intrinsically basic as well as at less basic residues, which was attributed to charge sharing with other groups due to the presence of secondary and higher order structures in this larger polypeptide.

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.

Structural basis of sterol recognition and nonvesicular transport by lipid transfer proteins anchored at membrane contact sites.

PubMed

Tong, Junsen; Manik, Mohammad Kawsar; Im, Young Jun

2018-01-30

Membrane contact sites (MCSs) in eukaryotic cells are hotspots for lipid exchange, which is essential for many biological functions, including regulation of membrane properties and protein trafficking. Lipid transfer proteins anchored at membrane contact sites (LAMs) contain sterol-specific lipid transfer domains [StARkin domain (SD)] and multiple targeting modules to specific membrane organelles. Elucidating the structural mechanisms of targeting and ligand recognition by LAMs is important for understanding the interorganelle communication and exchange at MCSs. Here, we determined the crystal structures of the yeast Lam6 pleckstrin homology (PH)-like domain and the SDs of Lam2 and Lam4 in the apo form and in complex with ergosterol. The Lam6 PH-like domain displays a unique PH domain fold with a conserved N-terminal α-helix. The Lam6 PH-like domain lacks the basic surface for phosphoinositide binding, but contains hydrophobic patches on its surface, which are critical for targeting to endoplasmic reticulum (ER)-mitochondrial contacts. Structures of the LAM SDs display a helix-grip fold with a hydrophobic cavity and a flexible Ω1-loop as a lid. Ergosterol is bound to the pocket in a head-down orientation, with its hydrophobic acyl group located in the tunnel entrance. The Ω1-loop in an open conformation is essential for ergosterol binding by direct hydrophobic interaction. Structural comparison suggested that the sterol binding mode of the Lam2 SD2 is likely conserved among the sterol transfer proteins of the StARkin superfamily. Structural models of full-length Lam2 correlated with the sterol transport function at the membrane contact sites.

Deposition measurement of particulate matter in connection with corrosion studies.

PubMed

Ferm, Martin; Watt, John; O'Hanlon, Samantha; De Santis, Franco; Varotsos, Costas

2006-03-01

A new passive particle collector (inert surrogate surface) that collects particles from all directions has been developed. It was used to measure particle deposition at 35 test sites as part of a project that examined corrosion of materials in order that variation in particulate material could be used in development of dose-response functions in a modern multi-pollutant environment. The project, MULTI-ASSESS, was funded by the EU to examine the effects of air pollution on cultural heritage. Passive samplers were mounted rain-protected, and both in wind-protected and wind-exposed positions, to match the exposure of the samples for corrosion studies. The particle mass and its chemical content (nitrate, ammonium, sulfate, calcium, sodium, chloride, magnesium and potassium) were analysed. The loss of light reflectance on the surrogate surface was also measured. Very little ammonium and potassium was found, and one or more anions are missing in the ion balance. There were many strong correlations between the analysed species. The mass of analysed water-soluble ions was fairly constant at 24% of the total mass. The particle mass deposited to the samplers in the wind-protected position was about 25% of the particles deposited to an openly exposed sampler. The Cl-/Na+ ratios indicate a reaction between HNO(3) and NaCl. The deposited nitrate flux corresponds to the missing chloride. The Ca2+ deposition equals the SO4(2-) deposition and the anion deficiency. The SO4(2-) deposition most likely originates from SO2 that has reacted with basic calcium-containing particles either before or after they were deposited. The particle depositions at the urban sites were much higher than in nearby rural sites. The deposited mass correlated surprisingly well with the PM(10) concentration, except at sites very close to traffic.

Comparative Analysis of the Long-term Trends of the Surface Ozone Concentration at Elevated Sites in the Alps and in Caucasus Region

NASA Astrophysics Data System (ADS)

Tarasova, O. A.; Staehelin, J.; Prevot, A. S.; Senik, I. A.; Sosonkin, M. G.; Cui, J.

2007-12-01

Analysis of the long-term surface ozone records of two mountain sites, namely Kislovodsk High Mountain Station (KHMS) in Caucasus, Russia (43.7°N, 42.7°E, 2070 asl.) and Jungfraujoch (JFJ) in Switzerland (46.5°N, 7.9°E, 3580m asl) will be presented. A strong increase in ozone concentration (up +0.46±0.11ppb/year) was found at JFJ while ozone significantly deceased at KHMS (-0.65 ±0.09 ppb/year) during 1990-2005. We will compare trends values for earlier years (1990-2001) and for the latter ones (1993-2005). Among the possible reasons of the trends difference the impact of atmospheric transport is studied. Both vertical and horizontal components are considered in connection with ozone concentration trends. Transport analysis is based on 3D trajectories using LAGRANTO. There was no substantial difference in trends detected for different PV-levels or PBL filtered cases, while the main difference has been found in the source areas of the air masses at the two locations and inside different advection sectors at the each particular site. Trends will be compared (for the two receptor sites and two periods) for filtered subsets of upper tropospheric/stratospheric cases (based on PV and trajectory altitude), cases impacted by Planetary Boundary Layer (based on PBL height) and in different horizontal advection clusters. The work is financially supported by the Swiss National Science Foundation (JRP IB7320-110831), European Commission (Marie-Curie IIF project N 039905 - FP6-2005-Mobility-7) and Russian Foundation for Basic Research (projects 06-05-64427 and 06-05-65308) and contributes to ACCENT T&TP project.

Applications of HCMM satellite data to the study of urban heating patterns

NASA Technical Reports Server (NTRS)

Carlson, T. N. (Principal Investigator)

1980-01-01

A research summary is presented and is divided into two major areas, one developmental and the other basic science. In the first three sub-categories are discussed: image processing techniques, especially the method whereby surface temperature image are converted to images of surface energy budget, moisture availability and thermal inertia; model development; and model verification. Basic science includes the use of a method to further the understanding of the urban heat island and anthropogenic modification of the surface heating, evaporation over vegetated surfaces, and the effect of surface heat flux on plume spread.

Migration of Carbon Adatoms on the Surface of Charged SWCNT

NASA Astrophysics Data System (ADS)

Han, Longtao; Krstic, Predrag; Kaganovich, Igor

2016-10-01

In volume plasma, the growth of SWCNT from a transition metal catalyst could be enhanced by incoming carbon flux on SWCNT surface, which is generated by the adsorption and migration of carbon adatoms on SWCNT surface. In addition, the nanotube can be charged by the irradiation of plasma particles. How this charging effect will influence the adsorption and migration behavior of carbon atom has not been revealed. Using Density Functional Theory, Nudged Elastic Band and Kinetic Monte Carlo method, we found equilibrium sites, vibrational frequency, adsorption energy, most probable pathways for migration of adatoms, and the barrier sizes along these pathways. The metallic (5,5) SWCNT can support a fast migration of the carbon adatom along a straight path with low barriers, which is further enhanced by the presence of negative charge on SWCNT. The enhancement is contributed by the higher adsorption energy and thence longer lifetime of adatom on the charged SWCNT surface. The lifetime and migration distance of adatom increase by three and two orders of magnitude, respectively, as shown by Kinetic Monte Carlo simulation. These results support the surface migration mechanism of SWCNT growth in plasma environment. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division.

Gas-Phase Oxidation of Neutral Basic Residues in Polypeptide Cations by Periodate

NASA Astrophysics Data System (ADS)

Pilo, Alice L.; Bu, Jiexun; McLuckey, Scott A.

2016-12-01

The gas-phase oxidation of doubly protonated peptides containing neutral basic residues to various products, including [M + H + O]+, [M - H]+, and [M - H - NH3]+, is demonstrated here via ion/ion reactions with periodate. It was previously demonstrated that periodate anions are capable of oxidizing disulfide bonds and methionine, tryptophan, and S-alkyl cysteine residues. However, in the absence of these easily oxidized sites, we show here that systems containing neutral basic residues can undergo oxidation. Furthermore, we show that these neutral basic residues primarily undergo different types of oxidation (e.g., hydrogen abstraction) reactions than those observed previously (i.e., oxygen transfer to yield the [M + H + O]+ species) upon gas-phase ion/ion reactions with periodate anions. This chemistry is illustrated with a variety of systems, including a series of model peptides, a cell-penetrating peptide containing a large number of unprotonated basic sites, and ubiquitin, a roughly 8.6 kDa protein.

Waterworks Operator Training Manual.

ERIC Educational Resources Information Center

Missouri Univ., Columbia. Instructional Materials Lab.

Sixteen self-study waterworks operators training modules are provided. Module titles are the following: basic mathematics, basic chemistry, analysis procedures, microbiology, basic electricity, hydraulics, chlorination, plant operation, surface water, ground water, pumps, cross connections, distribution systems, safety, public relations, and…

Mars exobiology landing sites for future exploration

NASA Technical Reports Server (NTRS)

Landheim, Ragnhild; Greeley, Ronald; Desmarais, David; Farmer, Jack D.; Klein, Harold

1993-01-01

The selection of landing sites for Exobiology is an important issue for planning for future Mars missions. Results of a recent site selection study which focused on potential landing sites described in the Mars Landing Site Catalog are presented. In addition, basic Exobiology science objectives in Mars exploration are reviewed, and the procedures used in site evaluation and prioritization are outlined.

A neural network based methodology to predict site-specific spectral acceleration values

NASA Astrophysics Data System (ADS)

Kamatchi, P.; Rajasankar, J.; Ramana, G. V.; Nagpal, A. K.

2010-12-01

A general neural network based methodology that has the potential to replace the computationally-intensive site-specific seismic analysis of structures is proposed in this paper. The basic framework of the methodology consists of a feed forward back propagation neural network algorithm with one hidden layer to represent the seismic potential of a region and soil amplification effects. The methodology is implemented and verified with parameters corresponding to Delhi city in India. For this purpose, strong ground motions are generated at bedrock level for a chosen site in Delhi due to earthquakes considered to originate from the central seismic gap of the Himalayan belt using necessary geological as well as geotechnical data. Surface level ground motions and corresponding site-specific response spectra are obtained by using a one-dimensional equivalent linear wave propagation model. Spectral acceleration values are considered as a target parameter to verify the performance of the methodology. Numerical studies carried out to validate the proposed methodology show that the errors in predicted spectral acceleration values are within acceptable limits for design purposes. The methodology is general in the sense that it can be applied to other seismically vulnerable regions and also can be updated by including more parameters depending on the state-of-the-art in the subject.

A compendium of P- and S-wave velocities from surface-to-borehole logging; summary and reanalysis of previously published data and analysis of unpublished data

USGS Publications Warehouse

Boore, David M.

2003-01-01

For over 28 years, the U.S. Geological Survey (USGS) has been acquiring seismic velocity and geologic data at a number of locations in California, many of which were chosen because strong ground motions from earthquakes were recorded at the sites. The method for all measurements involves picking first arrivals of P- and S-waves from a surface source recorded at various depths in a borehole (as opposed to noninvasive methods, such as the SASW method [e.g., Brown et al., 2002]). The results from most of the sites are contained in a series of U.S. Geological Survey Open-File Reports (see References). Until now, none of the results have been available as computer files, and before 1992 the interpretation of the arrival times was in terms of piecemeal interval velocities, with no attempt to derive a layered model that would fit the travel times in an overall sense (the one exception is Porcella, 1984). In this report I reanalyze all of the arrival times in terms of layered models for P- and for S-wave velocities at each site, and I provide the results as computer files. In addition to the measurements reported in the open-file reports, I also include some borehole results from other reports, as well as some results never before published. I include data for 277 boreholes (at the time of this writing; more will be added to the web site as they are obtained), all in California (I have data from boreholes in Washington and Utah, but these will be published separately). I am also in the process of interpreting travel time data obtained using a seismic cone penetrometer at hundreds of sites; these data can be interpreted in the same way of those obtained from surface-to-borehole logging. When available, the data will be added to the web site (see below for information on obtaining data from the World Wide Web (WWW)). In addition to the basic borehole data and results, I provide information concerning strong-motion stations that I judge to be close enough to the boreholes that the borehole velocity models can be used as the velocity models beneath the stations.

Health benefit from decreasing exposure to heavy metals and metalloid after strict pollution control measures near a typical river basin area in China.

PubMed

Cao, Suzhen; Duan, Xiaoli; Ma, Yingqun; Zhao, Xiuge; Qin, Yanwen; Liu, Yan; Li, Sai; Zheng, Binghui; Wei, Fusheng

2017-10-01

The metal(loid) pollution still is a great concern due to the effects from urbanization and industrialization. While, the health risks from the toxic metal(loid)s could decrease if strict pollution control measures were adopted. However, few studies to date investigate the health risks of heavy metal(loid)s in a systematic river basin for the dependent residents, after taking pollution control measures. Thus, the contents of metal(loid)s (Cu, Pb, Zn, Cd, Mn, As) in surface water along a typical river basin were investigated in this study, and the potential non-carcinogenic and carcinogenic health risks posed to the residents were assessed. Although the soluble contents of Cu, Pb, Zn and Cd exceeded the respective thresholds in two sites located downstream the mine area, they were greatly decreased in comparison with previous contamination levels, and the soluble concentrations of all the metal(loid)s were within the relevant thresholds in the sites far away from the mining area. Moreover, the closer to the mining area, the higher the pollution levels of metal(loid)s. The total hazard index for non-carcinogenic risks of metal(loid)s were basically lower than the threshold (1) for the local population. Whereas, although the content of metal(loid)s were low (such as As), they could pose relative higher non-carcinogenic health risks. The result illustrated that pollution levels, toxicity of the contaminants and exposure behavior patterns all could contribute to the potential detrimental health risks. Additionally, the non-carcinogenic and carcinogenic risks from ingestion exposure were ∼2-∼4 orders of magnitude higher than those from dermal contact. The total carcinogenic risks were basically lower than the maximum tolerable levels (1.0 × 10 -4 ), indicating carcinogenic risks from most areas of the river could also be accepted. Among different population groups, heavy metal(loid)s posed relative higher non-carcinogenic and carcinogenic risks to the children in 0-5 years old. Fortunately, the surface water in most area of this basin is safe in usage for the local population and the health risks were basically acceptable in case exposed to the target metal(loid)s, after the river basin was in the charge of strict pollution control measures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Status of the flora and fauna on the Nevada Test Site, 1992. Results of continuing basic environmental monitoring, January through December 1992

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

Hunter, R.B.

This report documents changes in the populations of plants and animals on the Nevada Test Site (NTS) for calendar year 1992. It is part of a Department of Energy (DOE) program (Basic Environmental Compliance and Monitoring Program -- BECAMP) that also includes monitoring DOE compliance with the Endangered Species Act, the Historic Preservation Act, and the American Indian Freedom of Religion Act. Ecological studies were to comply with the National Environmental Policy Act and DOE Order 5400.1, ``General Environmental Protection Program.`` These studies focused on the following: status of ephemeral plants on the Nevada Test Site, 1992; status of reptilemore » and amphibian populations on the Nevada Test Site, 1992; trends in small mammal populations on the Nevada Test Site, 1992; status of large mammals and birds at Nevada Test Site, 1992; and status of perennial plants on the Nevada Test Site, 1992.« less

Contact angle determination procedure and detection of an invisible surface film

NASA Technical Reports Server (NTRS)

Meyer, G.; Grat, R.

1990-01-01

The contact angle value, i.e., the tangent angle of liquid resting on a planar solid surface, is a basic parameter which can be applied to a wide range of applications. The goal is to provide a basic understanding of the contact angle measurement technique and to present a simple illustration that can be applied as a quality control method; namely, detection of a surface contaminant which exists on a surface that appears clean to the unaided eye. The equipment and experimental procedures are detailed.

California Community College Handbook: Teaching Basic Skills in Vocational Education. Model Programs.

ERIC Educational Resources Information Center

Evaluation and Training Inst., Los Angeles, CA.

This handbook was produced as a result of a project that studied California community college programs that teach basic skills in vocational education programs. The project included a literature review, a telephone survey, and 12 site visits. The handbook contains four sections: (1) steps for integrating basic skills and vocational instruction;…

Orientation-Dependent Oxygen Evolution on RuO 2 without Lattice Exchange

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

Stoerzinger, Kelsey A.; Diaz-Morales, Oscar; Kolb, Manuel

RuO2 catalysts exhibit record activities towards the oxygen evolution reaction (OER), which is crucial to enable efficient and sustainable energy storage. Here we examine the RuO2 OER kinetics on rutile (110), (100), (101), and (111) orientations, finding (100) the most active. We assess the potential involvement of lattice oxygen in the OER mechanism with online 3 electrochemical mass spectrometry, which showed no evidence of oxygen exchange on these oriented facets in acidic or basic electrolytes. Similar results were obtained for polyoriented RuO2 films and particles, in contrast to previous work, suggesting lattice oxygen is not exchanged in catalyzing OER onmore » crystalline RuO2 surfaces. This hypothesis is supported by the correlation of activity with the number of active Ru-sites calculated by DFT, where more active facets bind oxygen more weakly. This new understanding of the active sites provides a design strategy to enhance the OER activity of RuO2 nanoparticles by facet engineering.« less

Reactivity of Hydrogen and Methanol on (001) Surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3

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

Ling, Sanliang; Mei, Donghai; Gutowski, Maciej S.

2011-05-16

Bulk tungsten trioxide (WO3) and rhenium trioxide (ReO3) share very similar structures but display different electronic properties. WO3 is a wide bandgap semiconductor while ReO3 is an electronic conductor. With the advanced molecular beam epitaxy techniques, it is possible to make heterostructures comprised of layers of WO3 and ReO3. These heterostructures might display reactivity different than pure WO3 and ReO3. The interactions of two probe molecules (hydrogen and methanol) with the (001) surfaces of WO3, ReO3, and two heterostructures ReO3/WO3 and WO3/ReO3 were investigated at the density functional theory level. Atomic hydrogen prefers to adsorb at the terminal O1C sitesmore » forming a surface hydroxyl on four surfaces. Dissociative adsorption of a hydrogen molecule at the O1C site leads to formation of a water molecule adsorbed at the surface M5C site. This is thermodynamically the most stable state. A thermodynamically less stable dissociative state involves two surface hydroxyl groups O1CH and O2CH. The interaction of molecular hydrogen and methanol with pure ReO3 is stronger than with pure WO3 and the strength of the interaction substantially changes on the WO3/ReO3 and ReO3/WO3 heterostructures. The reaction barriers for decomposition and recombination reactions are sensitive to the nature of heterostructure. The calculated adsorption energy of methanol on WO3(001) of -65.6 kJ/mol is consistent with the previous experimental estimation of -67 kJ/mol. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.« less

Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation

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

Andersen, Amity; Kathmann, Shawn M.; Lilga, Michael A.

2011-04-15

Periodic density functional theory calculations were performed to investigate the interaction that potassium with the Mo and S edges of the MoS2(100) surface. Both neutral and cationic (+1) charged potassium-promoted systems at different sulfur coverages were considered. Our calculations indicate that the potassium atom readily donates its single 4s valence electron to the MoS2 structure for the neutral potassium-promoted system, and the neutral and cationic potassium-promoted systems demonstrate a similar adsorption behavior. Moreover, potassium changes the magnetic properties known to occur at the metallic edge surface, which have implications for electron spin dependent surface characterization methods (i.e., electron spin/paramagnetic spectroscopy).more » Potassium in both the neutral and cationic systems tends to maximize its interactions with the available sulfur atoms at the edge surface, preferring sites over four-fold S hollows on fully sulfided Mo and S edges and over the interstitial gap where two to four edge surface S atoms are available for coordination. As the potassium coverage increases, the adsorption energy per potassium atom, surface work function, and transfer of the K 4s electron to the MoS2(100) surface decreases, which is in line with an increased metallization of the potassium adlayer. The potassium adlayer tends to form chains along the interstitial with K-K distances ~1 Å, which is notably less than those of bulk bcc K metal (4.61 Å). Density of states for the potassium-saturated surface suggests enhanced involvement of broad K 3d states beginning just above the Fermi level. Potassium-promotion of MoS2(100) has implications for alcohol catalysis: increasing the surface basicity by increasing the electron charge of the surface, providing hydrogenation-promoting CO site, blocking edge surface that dissociate CO and lead to methanation, and limiting H2 dissociative adsorption to the edge surface and possibly inhibiting the H2 dissociative adsorption via s character electron repulsion. This research was performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) national scientific user facility located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.« less

Watershed Landscape Ecology: Interdisciplinary and Field-based Learning in the Northeast Creek Watershed, Mount Desert Island, Maine

NASA Astrophysics Data System (ADS)

Hall, S. R.; Anderson, J.; Rajakaruna, N.; Cass, D.

2014-12-01

At the College of the Atlantic, Bar Harbor, Maine, undergraduate students have the opportunity to design their own curriculum within a major of "Human Ecology." To enable students to have early research experiences, we developed a field-based interdisciplinary program for students to learn and practice field methods in a variety of disciplines, Earth Science, Botany, Chemistry, and Wildlife Biology at three specific field sites within a single watershed on Mt. Desert Island. As the Northeast Creek watershed was the site of previous water quality studies, this program of courses enabled continued monitoring of portions of the watershed. The program includes 4 new courses: Critical Zone 1, Critical Zone 2, Wildlife Biology, and Botany. In Critical Zone 1 students are introduced to general topics in Earth Science and learn to use ArcGIS to make basic maps. In Critical Zone 2, Wildlife Biology, and Botany, students are in the field every week using classic field tools and methods. All three of these courses use the same three general field areas: two with working farms at the middle and lower portion of the watershed and one uninhabited forested property in the higher relief headwaters of the watershed. Students collect daily surface water chemistry data at five stream sites within the watershed, complete basic geologic bedrock and geomorphic mapping, conduct wildlife surveys, botanical surveys, and monitor weather patterns at each of the main sites. Beyond the class data collected and synthesized, students also complete group independent study projects at focused field sites, some of which have turned into much larger research projects. This program is an opportunity for students and faculty with varied interests and expertise to work together to study a specific field locality over multiple years. We see this model as enhancing a number of positive education components: field-based learning, teamwork, problem solving, interdisciplinary discussion, multiple faculty interaction, student mentoring, and original research. In the future we see the possibility of welcoming even more interdisciplinary work including rigorous studies spanning the arts and humanities.

Simple route for nano-hydroxyapatite properties expansion.

PubMed

Rojas, L; Olmedo, H; García-Piñeres, A J; Silveira, C; Tasic, L; Fraga, F; Montero, M L

2015-10-20

Simple surface modification of nano-hydroxyapatite, through acid-basic reactions, allows expanding the properties of this material. Introduction of organic groups such as hydrophobic alkyl chains, carboxylic acid, and amide or amine basic groups on the hydroxyapatite surface systematically change the polarity, surface area, and reactivity of hydroxyapatite without modifying its phase. Physical and chemical properties of the new derivative particles were analyzed. The biocompatibility of modified Nano-Hap on Raw 264.7 cells was also assessed.

Phase diagram of the symbiotic two-species contact process

NASA Astrophysics Data System (ADS)

de Oliveira, Marcelo Martins; Dickman, Ronald

2014-09-01

We study the two-species symbiotic contact process, recently proposed by de Oliveira, Santos, and Dickman [Phys. Rev. E 86, 011121 (2012), 10.1103/PhysRevE.86.011121]. In this model, each site of a lattice may be vacant or host single individuals of species A and/or B. Individuals at sites with both species present interact in a symbiotic manner, having a reduced death rate μ <1. Otherwise, the dynamics follows the rules of the basic contact process, with individuals reproducing to vacant neighbor sites at rate λ and dying at a rate of unity. We determine the full phase diagram in the λ-μ plane in one and two dimensions by means of exact numerical quasistationary distributions, cluster approximations, and Monte Carlo simulations. We also study the effects of asymmetric creation rates and diffusion of individuals. In two dimensions, for sufficiently strong symbiosis (i.e., small μ), the absorbing-state phase transition becomes discontinuous for diffusion rates D within a certain range. We report preliminary results on the critical surface and tricritical line in the λ-μ-D space. Our results raise the possibility that strongly symbiotic associations of mobile species may be vulnerable to sudden extinction under increasingly adverse conditions.

A Methodology for Determining Land Value and Associated Benefits Created from Dredged Material Containment.

DTIC Science & Technology

1978-06-01

accessibility. 228. The diagram below represents the basic relationship among the physical criteria: n^^^o MLl»3 Geographic Location Setting ^ r-; 11 T>,r...value is the difference be- tween the raw site value and the development value. The diagram below illustrates the basic relationship among the...except for the effect of demand on market price and the length of time that a site would remain on the market. The diagram below illustrates the

Water resources data for New Mexico, water year 1968; Part 1. Surface water records

USGS Publications Warehouse

,

1969-01-01

The surface-water records for the 1968 water year for gaging stations, partial record stations, and miscellaneous sites within the State of New Mexico are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of W. E. Hale, District Chief, Water Resources Division. This report is the eighth in a series presenting, annually, basic data on surfacewater records by States. Through September 30, 1960, "the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U. S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States.!! Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in New Mexico were contained in Parts 7, 8, and 9 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs. The records will be published in Geological Survey water-supply papers at 5-year intervals. These 5-year water-supply papers will show daily discharge and will be compiled on the same geographical areas previously used for the annual series; however, some of the 14 parts of conterminous United States will be further subdivided.

Geohydrology of deep-aquifer system monitoring-well site at Marina, Monterey County, California

USGS Publications Warehouse

Hanson, Randall T.; Everett, Rhett; Newhouse, Mark W.; Crawford, Steven M.; Pimentel, M. Isabel; Smith, Gregory A.

2002-01-01

In 2000, a deep-aquifer system monitoring-well site (DMW1) was completed at Marina, California to provide basic geologic and hydrologic information about the deep-aquifer system in the coastal region of the Salinas Valley. The monitoring-well site contains four wells in a single borehole; one completed from 930 to 950 feet below land surface (bls) in the Paso Robles Formation (DMW1-4); one 1,040 to 1,060 feet below land surface in the upper Purisima Formation (DMW1-3); one from 1,410 to 1,430 feet below land surface in the middle Purisima Formation (DMW1-2); and one from 1,820 to 1,860 feet below land surface in the lower Purisima Formation (DMW1-1). The monitoring site is installed between the coast and several deep-aquifer system supply wells in the Marina Coast Water District, and the completion depths are within the zones screened in those supply wells. Sediments below a depth of 955 feet at DMW1 are Pliocene age, whereas the sediments encountered at the water-supply wells are Pleistocene age at an equivalent depth. Water levels are below sea level in DMW1 and the Marina Water District deep-aquifer system supply wells, which indicate that the potential for seawater intrusion exists in the deep-aquifer system. If the aquifers at DMW1 are hydraulically connected with the submarine outcrops in Monterey Bay, then the water levels at the DMW1 site are 8 to 27 feet below the level necessary to prevent seawater intrusion. Numerous thick fine-grained interbeds and confining units in the aquifer systems retard the vertical movement of fresh and saline ground water between aquifers and restrict the movement of seawater to narrow water-bearing zones in the upper-aquifer system.Hydraulic testing of the DMW1 and the Marina Water District supply wells indicates that the tested zones within the deep-aquifer system are transmissive water-bearing units with hydraulic conductivities ranging from 2 to 14.5 feet per day. The hydraulic properties of the supply wells and monitoring wells are similar, even though the wells are completed in different geologic formations.Geophysical logs collected at the DMW1 site indicate saline water in most water-bearing zones shallower than 720 feet below land surface and from about 1,025 to 1,130 feet below land surface, and indicate fresher water from about 910 to 950 feet below land surface (DMW1-4), 1,130 to 1,550 feet below land surface, and below 1,650 feet below land surface. Temporal differences between electromagnetic induction logs indicate possible seasonal seawater intrusion in five water-bearing zones from 350 to 675 feet below land surface in the upper-aquifer system.The water-chemistry analyses from the deep-aquifer system monitoring and supply wells indicate that these deep aquifers in the Marina area contain potable water with the exception of the saline water in well DMW1-3. The saline water from well DMW1-3 has a chloride concentration of 10,800 milligrams per liter and dissolved solids concentration of 23,800 milligrams per liter. The source of this water was determined not to be recent seawater based on geochemical indicators and the age of the ground water. The high salinity of this ground water may be related to the dissolution of salts from the saline marine clays that surround the water-bearing zone screened by DMW1-3. The major ion water chemistry of the monitoring wells and the nearby MCWD water-supply wells are similar, which may indicate they are in hydraulic connection, even though the stratigraphic layers differ below 955 feet below land surface.No tritium was detected in samples from the deep monitoring wells. The lack of tritium suggest that there is no recent recharge water (less than 50 years old) in the deep-aquifer system at the DMW1 site. The carbon-14 analyses of these samples indicate ground water from the monitoring site was recharged thousands of years ago.

Assessments of Potential Rock Coatings at Rocknest, Gale Crater with ChemCam

NASA Technical Reports Server (NTRS)

Blaney, D. L.; Anderson, R.; Berger, G.; Bridges, J.; Bridges, N.; Clark, B.; Clegg, S.; Ehlman, B.; Goetz, W.; King, P.;

Conversion of glycerol to polyglycerol over waste duck-bones as a catalyst in solvent free etherification process

NASA Astrophysics Data System (ADS)

Ayoub, Muhammad; Sufian, Suriati; Mekuria Hailegiorgis, Sintayehu; Ullah, Sami; Uemura, Yoshimitsu

2017-08-01

The alkaline catalyst derived from the duck-bones was used for conversion of glycerol to polyglycerol via solvent free etherification process. The physicochemical properties of prepared materials were duck-bones were systematically investigated as a catalyst by latest techniques of Thermo gravimetric analysis (TGA), X-ray diffraction (XRD), and Brunauer-Emmett-Teller (BET) surface properties. TGA showed different trends of duck-bones decomposition from room temperature to 1000C. XRD pattern showed a clear and sharp peaks of a crystalline phase of CaO. The activity of the catalysts was in line with the basic amount of the strong base sites, surface area, and crystalline phase in the catalysts. The prepared catalyst derived from duck-bones provided high activity (99 %) for glycerol conversion and around 68 % yield for polyglycerol production. These ample wastes of duck-bones have good potential to be used as polyglycerol production catalysts due to have high quantity of Ca compare to other types of bones like cow, chicken and fish bones.

Mitigation of CO Poisoning on Functionalized Pt/TiN(001) Surface: A Fundamental Study of the Next-Generation Fuel Cell Technologies

DTIC Science & Technology

2014-05-27

TiN(100) surface (Pt/TiN) could be a promising catalyst for proton exchange membrane fuel cells ( PEM FCs). The adsorption properties of molecules on Pt...under both acidic and basic operation conditions in PEM FCs. 15. SUBJECT TERMS Catalysis, fuel cells , density functional theory, density functional...poisoning on functionalized Pt/TiN surfaces under both acidic and basic operation conditions in PEM FCs. 15. SUBJECT TERMS Catalysis, fuel cells

Design of the National Trends Network for monitoring the chemistry of atmospheric precipitation

USGS Publications Warehouse

Robertson, J.K.; Wilson, J.W.

1985-01-01

Long-term monitoring (10 years minimum) of the chemistry of wet deposition will be conducted at National Trends Network (NTN) sites across the United States. Precipitation samples will be collected at sites that represent broad regional characteristics. Design of the NTN considered four basic elements during construction of a model to distribute 50, 75, 100, 125 or 150 sites. The modeling oriented design was supplemented with guidance developed during the course of the site selection process. Ultimately, a network of 151 sites was proposed. The basic elements of the design are: (1) Assurance that all areas of the country are represented in the network on the basis of regional ecological properties (96 sites); (2) Placement of additional sites east of the Rocky Mountains to better define high deposition gradients (27 sites); (3) Placement of sites to assure that potentially sensitive regions are represented (15 sites); (4) Placement of sites to allow for other considerations, such as urban area effects (5 sites), intercomparison with Canada (3 sites), and apparent disparities in regional coverage (5 sites). Site selection stressed areas away from urban centers, large point sources, or ocean influences. Local factors, such as stable land ownership, nearby small emission sources (about 10 km), and close-by roads and fireplaces (about 0.5 km) were also considered. All proposed sites will be visited as part of the second phase of the study.

Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu.

PubMed

Neurock, Matthew; Tao, Zhiyuan; Chemburkar, Ashwin; Hibbitts, David D; Iglesia, Enrique

2017-04-28

Condensation and esterification are important catalytic routes in the conversion of polyols and oxygenates derived from biomass to fuels and chemical intermediates. Previous experimental studies show that alkanal, alkanol and hydrogen mixtures equilibrate over Cu/SiO 2 and form surface alkoxides and alkanals that subsequently promote condensation and esterification reactions. First-principle density functional theory (DFT) calculations were carried out herein to elucidate the elementary paths and the corresponding energetics for the interconversion of propanal + H 2 to propanol and the subsequent C-C and C-O bond formation paths involved in aldol condensation and esterification of these mixtures over model Cu surfaces. Propanal and hydrogen readily equilibrate with propanol via C-H and O-H addition steps to form surface propoxide intermediates and equilibrated propanal/propanol mixtures. Surface propoxides readily form via low energy paths involving a hydrogen addition to the electrophilic carbon center of the carbonyl of propanal or via a proton transfer from an adsorbed propanol to a vicinal propanal. The resulting propoxide withdraws electron density from the surface and behaves as a base catalyzing the activation of propanal and subsequent esterification and condensation reactions. These basic propoxides can readily abstract the acidic C α -H of propanal to produce the CH 3 CH (-) CH 2 O* enolate, thus initiating aldol condensation. The enolate can subsequently react with a second adsorbed propanal to form a C-C bond and a β-alkoxide alkanal intermediate. The β-alkoxide alkanal can subsequently undergo facile hydride transfer to form the 2-formyl-3-pentanone intermediate that decarbonylates to give the 3-pentanone product. Cu is unique in that it rapidly catalyzes the decarbonylation of the C 2n intermediates to form C 2n-1 3-pentanone as the major product with very small yields of C 2n products. This is likely due to the absence of Brønsted acid sites, present on metal oxide catalysts, that rapidly catalyze dehydration of the hemiacetal or hemiacetalate over decarbonylation. The basic surface propoxide that forms on Cu can also attack the carbonyl of a surface propanal to form propyl propionate. Theoretical results indicate that the rates for both aldol condensation and esterification are controlled by reactions between surface propoxide and propanal intermediates. In the condensation reaction, the alkoxide abstracts the weakly acidic hydrogen of the C α -H of the adsorbed alkanal to form the surface enolate whereas in the esterification reaction the alkoxide nucleophilically attacks the carbonyl group of a vicinal bound alkanal. As both condensation and esterification involve reactions between the same two species in the rate-limiting step, they result in the same rate expression which is consistent with experimental results. The theoretical results indicate that the barriers between condensation and esterification are within 3 kJ mol -1 of one another with esterification being slightly more favored. Experimental results also report small differences in the activation barriers but suggest that condensation is slightly preferred.

Glycosaminoglycans mediate retention of the poxvirus type I interferon binding protein at the cell surface to locally block interferon antiviral responses

PubMed Central

Montanuy, Imma; Alejo, Ali; Alcami, Antonio

2011-01-01

Eradication of smallpox was accomplished 30 yr ago, but poxviral infections still represent a public health concern due to the potential release of variola virus or the emergence of zoonotic poxviruses, such as monkeypox virus. A critical determinant of poxvirus virulence is the inhibition of interferons (IFNs) by the virus-encoded type I IFN-binding protein (IFNα/βBP). This immunomodulatory protein is secreted and has the unique property of interacting with the cell surface in order to prevent IFN-mediated antiviral responses. However, the mechanism of its attachment to the cell surface remains unknown. Using surface plasmon resonance and cell-binding assays, we report that the IFNα/βBP from vaccinia virus, the smallpox vaccine, interacts with cell surface glycosaminoglycans (GAGs). Analysis of the contribution of different regions of the protein to cell surface binding demonstrated that clusters of basic residues in the first immunoglobulin domain mediate GAG interactions. Furthermore, mutation of the GAG-interaction motifs does not affect its IFN-binding and -blocking capacity. Functional conservation of GAG-binding sites is demonstrated for the IFNα/βBP from variola and monkeypox viruses, extending our understanding of immune modulation by the most virulent human poxviruses. These results are relevant for the design of improved vaccines and intervention strategies.—Montanuy, I., Alejo, A., Alcami, A. Glycosaminoglycans mediate retention of the poxvirus type I interferon binding protein at the cell surface to locally block interferon antiviral responses. PMID:21372110

78 FR 22256 - Proposed Information Collection Request; Comment Request; The National Oil and Hazardous...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-15

... Chemicals''). The use of bioremediation agents, dispersants, surface washing agents, surface collecting... basic categories: dispersants, surface washing agents, surface collecting agents, bioremediation agents..., manufacturers of bioremediation agents, dispersants, surface collecting agents, surface washing agents...

A Comparative Study of Basic, Amphoteric, and Acidic Catalysts in the Oxidative Coupling of Methanol and Ethanol for Acrolein Production.

PubMed

Lilić, Aleksandra; Wei, Tiantian; Bennici, Simona; Devaux, Jean-François; Dubois, Jean-Luc; Auroux, Aline

2017-09-11

The impact of acid/base properties (determined by adsorption microcalorimetry) of various catalysts on the cross-aldolization of acetaldehyde and formaldehyde leading to acrolein was methodically studied in oxidizing conditions starting from a mixture of methanol and ethanol. The aldol condensation and further dehydration to acrolein were carried out on catalysts presenting various acid/base properties (MgO, Mg-Al oxides, Mg/SiO 2 , NbP, and heteropolyanions on silica, HPA/SiO 2 ). Thermodynamic calculations revealed that cross-aldolization is always favored compared with self-aldolization of acetaldehyde, which leads to crotonaldehyde formation. The presence of strong basic sites is shown to be necessary, but a too high amount drastically increases CO x production. On strong acid sites, production of acrolein and carbon oxides (CO x ) does not increase with temperature. The optimal catalyst for this process should be amphoteric with a balanced acid/base cooperation of medium strength sites and a small amount (<100 μmol g -1 ) of very strong basic sites (Q diff >150 kJ mol -1 ). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Xe adsorption site distributions on Pt(111), Pt(221) and Pt(531)

NASA Astrophysics Data System (ADS)

Gellman, Andrew J.; Baker, L.; Holsclaw, B. S.

2016-04-01

The ideal structures of the Pt(111), Pt(221) and Pt(531) surfaces expose adsorption sites that can be qualitatively described as terrace sites on Pt(111), both step and terrace sites on Pt(221), and kink sites on Pt(531). The real surface structures of these surfaces can be complicated by imperfections such as misorientation, reconstruction and thermal roughening, all of which will influence their distributions of adsorption sites. Xe adsorption sites on the Pt(111), Pt(221) and Pt(531) surfaces have been probed using both photoemission of adsorbed Xe (PAX) and temperature programmed desorption (TPD) of Xe. Both PAX and Xe TPD are sensitive to the adsorption sites of the Xe and serve as complementary means of assessing the distributions of adsorption sites on these three Pt surfaces. The adsorption of Xe is sufficiently sensitive to detect the presence of residual steps on the Pt(111) surface at a density of 1.5% step atoms per Pt atom. On the Pt(221) surface, PAX and Xe TPD reveal adsorption at both terrace and step sites simultaneously. Although the ideal structure of the Pt(531) surface has no well-defined steps or terraces, Xe adsorption indicates that its adsorption sites are best described as a distribution of both step and kink sites with roughly twice as many steps sites as kinks.

Ethical Principles for Physician Rating Sites

PubMed Central

2011-01-01

During the last 5 years, an ethical debate has emerged, often in public media, about the potential positive and negative effects of physician rating sites and whether physician rating sites created by insurance companies or government agencies are ethical in their current states. Due to the lack of direct evidence of physician rating sites’ effects on physicians’ performance, patient outcomes, or the public’s trust in health care, most contributions refer to normative arguments, hypothetical effects, or indirect evidence. This paper aims, first, to structure the ethical debate about the basic concept of physician rating sites: allowing patients to rate, comment, and discuss physicians’ performance, online and visible to everyone. Thus, it provides a more thorough and transparent starting point for further discussion and decision making on physician rating sites: what should physicians and health policy decision makers take into account when discussing the basic concept of physician rating sites and its possible implications on the physician–patient relationship? Second, it discusses where and how the preexisting evidence from the partly related field of public reporting of physician performance can serve as an indicator for specific needs of evaluative research in the field of physician rating sites. This paper defines the ethical principles of patient welfare, patient autonomy, physician welfare, and social justice in the context of physician rating sites. It also outlines basic conditions for a fair decision-making process concerning the implementation and regulation of physician rating sites, namely, transparency, justification, participation, minimization of conflicts of interest, and openness for revision. Besides other issues described in this paper, one trade-off presents a special challenge and will play an important role when deciding about more- or less-restrictive physician rating sites regulations: the potential psychological and financial harms for physicians that can result from physician rating sites need to be contained without limiting the potential benefits for patients with respect to health, health literacy, and equity. PMID:22146737

The solution structure of omega-Aga-IVB, a P-type calcium channel antagonist from venom of the funnel web spider, Agelenopsis aperta.

PubMed

Reily, M D; Thanabal, V; Adams, M E

1995-02-01

The 48 amino acid peptides omega-Aga-IVA and omega-Aga-IVB are the first agents known to specifically block P-type calcium channels in mammalian brain, thus complementing the existing suite of pharmacological tools used for characterizing calcium channels. These peptides provide a new set of probes for studies aimed at elucidating the structural basis underlying the subtype specificity of calcium channel antagonists. We used 288 NMR-derived constraints in a protocol combining distance geometry and molecular dynamics employing the program DGII, followed by energy minimization with Discover to derive the three-dimensional structure of omega-Aga-IVB. The toxin consists of a well-defined core region, comprising seven solvent-shielded residues and a well-defined triple-stranded beta-sheet. Four loop regions have average backbone rms deviations between 0.38 and 1.31 A, two of which are well-defined type-II beta-turns. Other structural features include disordered C- and N-termini and several conserved basic amino acids that are clustered on one face of the molecule. The reported structure suggests a possible surface for interaction with the channel. This surface contains amino acids that are identical to those of another known P-type calcium channel antagonist, omega-Aga-IVA, and is rich in basic residues that may have a role in binding to the anionic sites in the extracellular regions of the calcium channel.

Incorporating Alternative Care Site Characteristics Into Estimates of Substitutable ED Visits.

PubMed

Trueger, Nathan Seth; Chua, Kao-Ping; Hussain, Aamir; Liferidge, Aisha T; Pitts, Stephen R; Pines, Jesse M

2017-07-01

Several recent efforts to improve health care value have focused on reducing emergency department (ED) visits that potentially could be treated in alternative care sites (ie, primary care offices, retail clinics, and urgent care centers). Estimates of the number of these visits may depend on assumptions regarding the operating hours and functional capabilities of alternative care sites. However, methods to account for the variability in these characteristics have not been developed. To develop methods to incorporate the variability in alternative care site characteristics into estimates of ED visit "substitutability." Our approach uses the range of hours and capabilities among alternative care sites to estimate lower and upper bounds of ED visit substitutability. We constructed "basic" and "extended" criteria that captured the plausible degree of variation in each site's hours and capabilities. To illustrate our approach, we analyzed data from 22,697 ED visits by adults in the 2011 National Hospital Ambulatory Medical Care Survey, defining a visit as substitutable if it was treat-and-release and met both the operating hours and functional capabilities criteria. Use of the combined basic hours/basic capabilities criteria and extended hours/extended capabilities generated lower and upper bounds of estimates. Our criteria classified 5.5%-27.1%, 7.6%-20.4%, and 10.6%-46.0% of visits as substitutable in primary care offices, retail clinics, and urgent care centers, respectively. Alternative care sites vary widely in operating hours and functional capabilities. Methods such as ours may help incorporate this variability into estimates of ED visit substitutability.

40 CFR 503.20 - Applicability.

Code of Federal Regulations, 2014 CFR

2014-07-01

... who prepares sewage sludge that is placed on a surface disposal site, to the owner/operator of a surface disposal site, to sewage sludge placed on a surface disposal site, and to a surface disposal site... sludge remains is not an active sewage sludge unit. The demonstration shall include the following...

40 CFR 503.20 - Applicability.

Code of Federal Regulations, 2012 CFR

2012-07-01

... who prepares sewage sludge that is placed on a surface disposal site, to the owner/operator of a surface disposal site, to sewage sludge placed on a surface disposal site, and to a surface disposal site... sludge remains is not an active sewage sludge unit. The demonstration shall include the following...

40 CFR 503.20 - Applicability.

Code of Federal Regulations, 2013 CFR

2013-07-01

... who prepares sewage sludge that is placed on a surface disposal site, to the owner/operator of a surface disposal site, to sewage sludge placed on a surface disposal site, and to a surface disposal site... sludge remains is not an active sewage sludge unit. The demonstration shall include the following...

40 CFR 503.20 - Applicability.

Code of Federal Regulations, 2011 CFR

2011-07-01

... who prepares sewage sludge that is placed on a surface disposal site, to the owner/operator of a surface disposal site, to sewage sludge placed on a surface disposal site, and to a surface disposal site... sludge remains is not an active sewage sludge unit. The demonstration shall include the following...

The effect of the distance between acidic site and basic site immobilized on mesoporous solid on the activity in catalyzing aldol condensation

NASA Astrophysics Data System (ADS)

Yu, Xiaofang; Yu, Xiaobo; Wu, Shujie; Liu, Bo; Liu, Heng; Guan, Jingqi; Kan, Qiubin

2011-02-01

Acid-base bifunctional heterogeneous catalysts containing carboxylic and amine groups, which were immobilized at defined distance from one another on the mesoporous solid were synthesized by immobilizing lysine onto carboxyl-SBA-15. The obtained materials were characterized by X-ray diffraction (XRD), N 2 adsorption, Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), scanning electron micrographs (SEM), transmission electron micrographs (TEM), elemental analysis, and back titration. Proximal-C-A-SBA-15 with a proximal acid-base distance was more active than maximum-C-A-SBA-15 with a maximum acid-base distance in aldol condensation reaction between acetone and various aldehydes. It appears that the distance between acidic site and basic site immobilized on mesoporous solid should be an essential factor for catalysis optimization.

Recombinant human basic fibroblast growth factor (bFGF) stimulates periodontal regeneration in class II furcation defects created in beagle dogs.

PubMed

Murakami, S; Takayama, S; Kitamura, M; Shimabukuro, Y; Yanagi, K; Ikezawa, K; Saho, T; Nozaki, T; Okada, H

2003-02-01

Several growth factors (or cytokines) have been recently investigated for their use as potential therapeutics for periodontal tissue regeneration. The objective of this study was to evaluate periodontal tissue regeneration, including new bone and cementum formation, following topical application of recombinant basic fibroblast growth factor (bFGF, FGF-2) to furcation class II defects. Twelve furcation class II bone defects were surgically created in six beagle dogs, then recombinant bFGF (30 micro g/site) + gelatinous carrier was topically applied to the bony defects. Six weeks after application, periodontal regeneration was analyzed. In all sites where bFGF was applied, periodontal ligament formation with new cementum deposits and new bone formation was observed histomorphometrically, in amounts greater than in the control sites. Basic FGF-applied sites exhibited significant regeneration as represented by the new bone formation rate (NBR) (83.6 +/- 14.3%), new trabecular bone formation rate (NTBR) (44.1 +/- 9.5%), and new cementum formation rate (NCR) (97.0 +/- 7.5%). In contrast, in the carrier-only sites, the NBR, NTBR, and NCR were 35.4 +/- 8.9%, 16.6 +/- 6.2%, and 37.2 +/- 15.1%, respectively. Moreover, no instances of epithelial down growth, ankylosis, or root resorption were observed in the bFGF-applied sites examined. The present results indicate that topical application of bFGF can enhance considerable periodontal regeneration in artificially created furcation class II bone defects of beagle dogs.

A 30-year record of surface mass balance (1966-95) and motion and surface altitude (1975-95) at Wolverine Glacier, Alaska

USGS Publications Warehouse

Mayo, Lawrence R.; Trabant, Dennis C.; March, Rod S.

2004-01-01

Scientific measurements at Wolverine Glacier, on the Kenai Peninsula in south-central Alaska, began in April 1966. At three long-term sites in the research basin, the measurements included snow depth, snow density, heights of the glacier surface and stratigraphic summer surfaces on stakes, and identification of the surface materials. Calculations of the mass balance of the surface strata-snow, new firn, superimposed ice, and old firn and ice mass at each site were based on these measurements. Calculations of fixed-date annual mass balances for each hydrologic year (October 1 to September 30), as well as net balances and the dates of minimum net balance measured between time-transgressive summer surfaces on the glacier, were made on the basis of the strata balances augmented by air temperature and precipitation recorded in the basin. From 1966 through 1995, the average annual balance at site A (590 meters altitude) was -4.06 meters water equivalent; at site B (1,070 meters altitude), was -0.90 meters water equivalent; and at site C (1,290 meters altitude), was +1.45 meters water equivalent. Geodetic determination of displacements of the mass balance stake, and glacier surface altitudes was added to the data set in 1975 to detect the glacier motion responses to variable climate and mass balance conditions. The average surface speed from 1975 to 1996 was 50.0 meters per year at site A, 83.7 meters per year at site B, and 37.2 meters per year at site C. The average surface altitudes were 594 meters at site A, 1,069 meters at site B, and 1,293 meters at site C; the glacier surface altitudes rose and fell over a range of 19.4 meters at site A, 14.1 meters at site B, and 13.2 meters at site C.

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

Roberts, F. Sloan; Kuhl, Kendra P.; Nilsson, Anders

The activity and selectivity for CO 2/CO reduction over copper electrodes is strongly dependent on the local surface structure of the catalyst and the pH of the electrolyte. Here we investigate a unique, copper nanocube surface (CuCube) as a CO reduction electrode under neutral and basic pH, using online electrochemical mass spectroscopy (OLEMS) to determine the onset potentials and relative intensities of methane and ethylene production. To relate the unique selectivity to the surface structure, the CuCube surface reactivity is compared to polycrystalline copper and three single crystals under the same reaction conditions. Here, we find that the high selectivitymore » for ethylene over the CuCube surface is most comparable to the Cu(100) surface, which has the cubic unit cell. However, the suppression of methane production over CuCube is unique to that particular surface. Basic pH is also shown to enhance ethylene selectivity on all surfaces, again with the CuCube surface being unique.« less

Superfund Record of Decision (EPA Region 4): BMI-Textron Site, Lake Park, FL, August 1994

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

Not Available

1994-09-01

This decision document presents the selected remedial action for the Basic Microelectronic, Incorporated (BMI)-Textron Site (BMI-Textron Site or the Site), in Lake Park, Florida. This remedy addresses the contaminated principal threat of ground water at the Site. This remedy addresses the principal threat remaining at the Site, by using existing institutional controls, and monitoring ground water contaminated with arsenic, cyanide, sodium and fluoride.

Integrating unmanned aerial systems and LSPIV for rapid, cost-effective stream gauging

NASA Astrophysics Data System (ADS)

Lewis, Quinn W.; Lindroth, Evan M.; Rhoads, Bruce L.

2018-05-01

Quantifying flow in rivers is fundamental to assessments of water supply, water quality, ecological conditions, hydrological responses to storm events, and geomorphological processes. Image-based surface velocity measurements have shown promise in extending the range of discharge conditions that can be measured in the field. The use of Unmanned Aerial Systems (UAS) in image-based measurements of surface velocities has the potential to expand applications of this method. Thus far, few investigations have assessed this potential by evaluating the accuracy and repeatability of discharge measurements using surface velocities obtained from UAS. This study uses large-scale particle image velocimetry (LSPIV) derived from videos captured by cameras on a UAS and a fixed tripod to obtain discharge measurements at ten different stream locations in Illinois, USA. Discharge values are compared to reference values measured by an acoustic Doppler current profiler, a propeller meter, and established stream gauges. The results demonstrate the effects of UAS flight height, camera steadiness and leveling accuracy, video sampling frequency, and LSPIV interrogation area size on surface velocities, and show that the mean difference between fixed and UAS cameras is less than 10%. Differences between LSPIV-derived and reference discharge values are generally less than 20%, not systematically low or high, and not related to site parameters like channel width or depth, indicating that results are relatively insensitive to camera setup and image processing parameters typically required of LSPIV. The results also show that standard velocity indices (between 0.85 and 0.9) recommended for converting surface velocities to depth-averaged velocities yield reasonable discharge estimates, but are best calibrated at specific sites. The study recommends a basic methodology for LSPIV discharge measurements using UAS that is rapid, cost-efficient, and does not require major preparatory work at a measurement location, pre- and post-processing of imagery, or extensive background in image analysis and PIV.

Kinetics and mechanism of natural fluorapatite dissolution at 25 °C and pH from 3 to 12

NASA Astrophysics Data System (ADS)

Chaïrat, Claire; Schott, Jacques; Oelkers, Eric H.; Lartigue, Jean-Eric; Harouiya, Najatte

2007-12-01

The dissolution rates of natural fluorapatite (FAP), Ca 10(PO 4) 6F 2, were measured at 25 °C in mixed-flow reactors as a function of pH from 3.0 to 11.7, and aqueous calcium, phosphorus, and fluoride concentration. After an initial preferential Ca and/or F release, stoichiometric Ca, P, and F release was observed. Measured FAP dissolution rates decrease with increasing pH at 3 ⩽ pH ⩽ 7, FAP dissolution rates are pH independent at 7 ⩽ pH ⩽ 10, and FAP dissolution rates again decrease with increasing pH at pH ⩾ 10. Measured FAP dissolution rates are independent of aqueous Ca, P, and F concentration at pH ≈ 3 and pH ≈ 10. Apatite dissolution appears to be initiated by the relatively rapid removal from the near surface of F and the Ca located in the M1 sites, via proton for Ca exchange reactions. Dissolution rates are controlled by the destruction of this F and Ca depleted surface layer. The destruction of this layer is facilitated by the adsorption/penetration of protons into the surface at acidic conditions, and by surface hydration at neutral and basic conditions. Taking into account these two parallel mechanisms, measured fluorapatite forward dissolution rates can be accurately described using r+(molms)=6.61×10-6{aK}/{1+aK+aCa4aF1.4aOH0.6aH6K}+3.69×10-8[tbnd CaOH2+] where ai refers to the activity of the ith aqueous species, [tbnd CaOH2+] denotes the concentration of hydrated calcium sites at the surface of the leached layer (mol m -2), and Kex and Kads stand for the apparent stability constants of the Ca 2+/H + exchange and adsorption/penetration reactions, respectively.

Strong activation of bile acid-sensitive ion channel (BASIC) by ursodeoxycholic acid

PubMed Central

Wiemuth, Dominik; Sahin, Hacer; Lefèvre, Cathérine M.T.; Wasmuth, Hermann E.; Gründer, Stefan

2013-01-01

Bile acid-sensitive ion channel (BASIC) is a member of the DEG/ENaC gene family of unknown function. Rat BASIC (rBASIC) is inactive at rest. We have recently shown that cholangiocytes, the epithelial cells lining the bile ducts, are the main site of BASIC expression in the liver and identified bile acids, in particular hyo- and chenodeoxycholic acid, as agonists of rBASIC. Moreover, it seems that extracellular divalent cations stabilize the resting state of rBASIC, because removal of extracellular divalent cations opens the channel. In this addendum, we demonstrate that removal of extracellular divalent cations potentiates the activation of rBASIC by bile acids, suggesting an allosteric mechanism. Furthermore, we show that rBASIC is strongly activated by the anticholestatic bile acid ursodeoxycholic acid (UDCA), suggesting that BASIC might mediate part of the therapeutic effects of UDCA. PMID:23064163

Structural identification of Zn xZr yO z catalysts for Cascade aldolization and self-deoxygenation reactions

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

Baylon, Rebecca A. L.; Sun, Junming; Kovarik, Libor

Complementary characterizations, such as nitrogen sorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), visible Raman, scanning transmission electron microscopy (STEM) coupled with elemental mapping, NH3/CO2 temperature programmed desorption (NH3/CO2-TPD), infrared spectroscopic analysis of adsorbed pyridine (Py-IR), and CO2-IR, have been employed to identify the structure and surface chemistry (i.e., acid-base) of mixed Zn xZr yO z oxide catalysts of varied ratios of Zn/Zr. Atomically dispersed Zn2+ species are present in the framework within a thin surface shell (1.5-2.0 nm) of ZrO2 particles when the Zn/Zr ratio is smaller than 1/10; when the ratio is above this, both atomically dispersed Zn2+more » and ZnO clusters coexist in mixed Zn xZr yO z oxide catalysts. The presence of ZnO clusters shows no significant side effect but only a slight increase of selectivity to CO2, caused by steam reforming. The incorporation of atomic Zn2+ into the ZrO2 framework was found to not only passivate strong Lewis acid sites (i.e., Zr-O-Zr) on ZrO2, but to also generate new Lewis acid-base site pairs with enhanced Lewis basicity on the bridged O (i.e., ). In the mixed ketone (i.e., acetone and methyl ethyl ketone (MEK)) reactions, while the passivation of strong acid sites can be correlated to the inhibition of side reactions, such as ketone decomposition and coking, the new Lewis acid-base pairs introduced enhance the cascade aldolization and self-deoxygenation reactions involved in olefin (C3=-C6=) production. More importantly, the surface acid-base properties change with varying Zn/Zr ratios, which in turn affect the cross- and self-condensation reactivity and subsequent distribution of olefins.« less

Structural Identification of Zn xZr yO z Catalysts for Cascade Aldolization and Self-Deoxygenation Reactions

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

Baylon, Rebecca A. L.; Sun, Junming; Kovarik, Libor

Here, complementary characterizations, such as nitrogen sorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), visible Raman, scanning transmission electron microscopy (STEM) coupled with elemental mapping, NH 3/CO 2 temperature programmed desorption (NH 3/CO 2-TPD), infrared spectroscopic analysis of adsorbed pyridine (Py-IR), and CO 2-IR, have been employed to identify the structure and surface chemistry (i.e., acid-base) of mixed Zn xZr yO z oxide catalysts of varied ratios of Zn/Zr. Atomically dispersed Zn 2+ species are present in the framework within a thin surface shell (1.5-2.0 nm) of ZrO 2 particles when the Zn/Zr ratio is smaller than 1/10; when the ratio is above this, both atomically dispersed Zn 2+ and ZnO clusters coexist in mixed Zn xZr yO z oxide catalysts. The presence of ZnO clusters shows no significant side effect but only a slight increase of selectivity to CO 2, caused by steam reforming. The incorporation of atomic Zn 2+ into the ZrO 2 framework was found to not only passivate strong Lewis acid sites (i.e., Zr-O-Zr) on ZrO 2, but to also generate new Lewis acid-base site pairs with enhanced Lewis basicity on the bridged O (i.e., Zr—omore » $$\\curvearrowleft\\atop{e\\atop—}$$Zn). In the mixed ketone (i.e., acetone and methyl ethyl ketone (MEK)) reactions, while the passivation of strong acid sites can be correlated to the inhibition of side reactions, such as ketone decomposition and coking, the new Lewis acid-base pairs introduced enhance the cascade aldolization and self-deoxygenation reactions involved in olefin (C 3 =-C 6 =) production. More importantly, the surface acid-base properties change with varying Zn/Zr ratios, which in turn affect the cross- and self-condensation reactivity and subsequent distribution of olefins.« less

Structural Identification of Zn xZr yO z Catalysts for Cascade Aldolization and Self-Deoxygenation Reactions

DOE PAGES

Baylon, Rebecca A. L.; Sun, Junming; Kovarik, Libor; ...

2018-04-22

Here, complementary characterizations, such as nitrogen sorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), visible Raman, scanning transmission electron microscopy (STEM) coupled with elemental mapping, NH 3/CO 2 temperature programmed desorption (NH 3/CO 2-TPD), infrared spectroscopic analysis of adsorbed pyridine (Py-IR), and CO 2-IR, have been employed to identify the structure and surface chemistry (i.e., acid-base) of mixed Zn xZr yO z oxide catalysts of varied ratios of Zn/Zr. Atomically dispersed Zn 2+ species are present in the framework within a thin surface shell (1.5-2.0 nm) of ZrO 2 particles when the Zn/Zr ratio is smaller than 1/10; when the ratio is above this, both atomically dispersed Zn 2+ and ZnO clusters coexist in mixed Zn xZr yO z oxide catalysts. The presence of ZnO clusters shows no significant side effect but only a slight increase of selectivity to CO 2, caused by steam reforming. The incorporation of atomic Zn 2+ into the ZrO 2 framework was found to not only passivate strong Lewis acid sites (i.e., Zr-O-Zr) on ZrO 2, but to also generate new Lewis acid-base site pairs with enhanced Lewis basicity on the bridged O (i.e., Zr—omore » $$\\curvearrowleft\\atop{e\\atop—}$$Zn). In the mixed ketone (i.e., acetone and methyl ethyl ketone (MEK)) reactions, while the passivation of strong acid sites can be correlated to the inhibition of side reactions, such as ketone decomposition and coking, the new Lewis acid-base pairs introduced enhance the cascade aldolization and self-deoxygenation reactions involved in olefin (C 3 =-C 6 =) production. More importantly, the surface acid-base properties change with varying Zn/Zr ratios, which in turn affect the cross- and self-condensation reactivity and subsequent distribution of olefins.« less

"BreastfeedingBasics": web-based education that meets current knowledge competencies.

PubMed

Lewin, Linda Orkin; O'Connor, Mary E

2012-08-01

The United States has not met the majority of the Centers for Disease Control and Prevention goals for breastfeeding duration. Studies have shown a lack of knowledge about breastfeeding by health care professionals and students (HCP/S). Web-based education can be a cost-effective manner of education for HCP/S. "BreastfeedingBasics" is an online free educational program available for use. This study compares information in "BreastfeedingBasics" to the breastfeeding knowledge competencies recommended by the US Breastfeeding Committee (USBC). It also evaluates usage of "BreastfeedingBasics" by users and health care professional faculty. Using anonymous information from Web site users, the authors compared mean pre-test and post-test scores of the modules as a measure of the knowledge gained by HCP/S users. They evaluated usage by demographic information and used a Web-based survey to assess benefits of usage of "BreastfeedingBasics" to faculty. Overall, 15 020 HCP/S used the Web site between April 1999 and December 2009. "BreastfeedingBasics" meets 8 of the 11 USBC knowledge competencies. Mean post-test scores increased (P < .001) for all modules. Faculty reported its benefits to be free, broad scope, and the ability to be completed on the students' own time; 84% of the faculty combined the use of "BreastfeedingBasics" with clinical work. Use of "BreastfeedingBasics" can help HCP/S meet the USBC core breastfeeding knowledge competencies and gain knowledge. Faculty are satisfied with its use. Wider use of "BreastfeedingBasics" to help improve the knowledge of HCP/S may help in improving breastfeeding outcomes.

Rapid surface-biostructure interaction analysis using strong metal-based nanomagnets.

PubMed

Rotzetter, Aline C C; Schumacher, Christoph M; Zako, Tamotsu; Stark, Wendelin J; Maeda, Mizuo

2013-11-19

Nanomaterials are increasingly suggested for the selective adsorption and extraction of complex compounds in biomedicine. Binding of the latter requires specific surface modifications of the nanostructures. However, even complicated macromolecules such as proteins can afford affinities toward basic surface characteristics such as hydrophobicity, topology, and electrostatic charge. In this study, we address these more basic physical interactions. In a model system, the interaction of bovine serum albumin and amyloid β 42 fibrillar aggregates with carbon-coated cobalt nanoparticles, functionalized with various polymers differing in character, was studied. The possibility of rapid magnetic separation upon binding to the surface represents a valuable tool for studying surface interactions and selectivities. We find that the surface interaction of Aβ 42 fibrillar aggregates is mostly hydrophobic in nature. Because bovine serum albumin (BSA) is conformationally adaptive, it is known to bind surfaces with widely differing properties (charge, topology, and hydrophobicity). However, the rate of tight binding (no desorption upon washing) can vary largely depending on the extent of necessary conformational changes for a specific surface. We found that BSA can only bind slowly to polyethylenimine-coated nanomagnets. Under competitive conditions (high excess BSA compared to that for β 42 fibrillar aggregates), this effect is beneficial for targeting the fibrillar species. These findings highlight the possibility of selective extractions from complex media when advantageous basic physical surface properties are chosen.

Long-term characterization, lagoon treatment and migration potential of landfill leachate: a case study in an active Italian landfill.

PubMed

Frascari, D; Bronzini, F; Giordano, G; Tedioli, G; Nocentini, M

2004-01-01

The elaboration of 10 years of monitoring of leachate quality and quantity, leachate treatment and degree of contamination of soil and surface waters at the Tre Monti site--an active, 4-million-m(3) landfill in Northern Italy--is presented in this study. A hydrological model of leachate production is applied, with a good match of the experimental data. The concentrations of all leachate components except sulfate are characterized by fluctuations over a constant or increasing value. Different ways of interpreting leachate quality data are discussed; the elaboration indicates that the pollutant load on the leachate treatment facility will remain basically constant as long as waste will be added to the landfill. The analysis of the data relative to 10 years of leachate pre-treatment in the adjoining, non-aerated lagoon system indicates that a significant removal is achieved for most leachate components; the operational conditions of the plant are described, and the removal mechanisms are discussed. Finally, the potential for contamination of soil and surface waters is examined by analyzing long-term quality trends of the sub-superficial waters sampled near the lagoons and by means of an analytical campaign conducted on clay cores sampled near and underneath the treatment ponds. The experimental values indicate that the clay layer located under the entire site offers an effective barrier to the migration of leachate contaminants.

Interaction of the BKCa channel gating ring with dendrotoxins

PubMed Central

Takacs, Zoltan; Imredy, John P; Bingham, Jon-Paul; Zhorov, Boris S; Moczydlowski, Edward G

2014-01-01

Two classes of small homologous basic proteins, mamba snake dendrotoxins (DTX) and bovine pancreatic trypsin inhibitor (BPTI), block the large conductance Ca2+-activated K+ channel (BKCa, KCa1.1) by production of discrete subconductance events when added to the intracellular side of the membrane. This toxin-channel interaction is unlikely to be pharmacologically relevant to the action of mamba venom, but as a fortuitous ligand-protein interaction, it has certain biophysical implications for the mechanism of BKCa channel gating. In this work we examined the subconductance behavior of 9 natural dendrotoxin homologs and 6 charge neutralization mutants of δ-dendrotoxin in the context of current structural information on the intracellular gating ring domain of the BKCa channel. Calculation of an electrostatic surface map of the BKCa gating ring based on the Poisson-Boltzmann equation reveals a predominantly electronegative surface due to an abundance of solvent-accessible side chains of negatively charged amino acids. Available structure-activity information suggests that cationic DTX/BPTI molecules bind by electrostatic attraction to site(s) on the gating ring located in or near the cytoplasmic side portals where the inactivation ball peptide of the β2 subunit enters to block the channel. Such an interaction may decrease the apparent unitary conductance by altering the dynamic balance of open versus closed states of BKCa channel activation gating. PMID:25483585

Surface water records of Texas, 1964

USGS Publications Warehouse

,

1965-01-01

The surface-water records for the 1964 water year for gaging stations, partial-record stations, miscellaneous sites, and base-flow studies within the State of Texas are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U. S. Geological Survey, under the direction of Trigg Twichell, district chief, Water Resources Division. Through September 30, 1960, the records of discharge and stage of streams and contents and stage of lakes or reservoirs were published in an annual series of U.S. Geological Survey water supply papers, entitled "Surface Water Supply of the United States." Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Texas were contained in Parts 7 and 8 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs. Records will be published in Geological Survey water-supply papers at 5-year intervals.

Influence of ammonia and carbon dioxide on the sorption of a basic organic pollutant to carpet and latex-painted gypsum board.

PubMed

Ongwandee, Maneerat; Morrison, Glenn C

2008-08-01

Sorptive interactions with indoor surfaces strongly influence indoor exposure to organic pollutants. Adsorption itself may be influenced by indoor levels of common indoor gases such as CO2, NH3, and H2O. We quantified sorption characteristics of trimethylamine (TMA) on carpet and painted wallboard, while challenging the surface with gas-phase CO2, NH3 and H2O. We show that the capacity of the carpet to sorb TMA, doubles when the CO2 mixing ratio is increased from 0 to 1000 ppm CO2 at 90% relative humidity. In contrast, NH3 decreases the surface capacity of both carpet and latex paint. Sorption of TMA to these indoor materials is primarily caused by interactions at one or more interfaces. Dissolution of TMA and aqueous acid-base chemistry appear to also contribute to the overall sorptive capacity of carpet at high relative humidity. The reduction in the distribution coefficient, k(e), in the presence of NH3 is explained by competition between TMA and NH3 molecules for sites on the substrates at low-to-medium relative humidity conditions.

A review of the different techniques for solid surface acid-base characterization.

PubMed

Sun, Chenhang; Berg, John C

2003-09-18

In this work, various techniques for solid surface acid-base (AB) characterization are reviewed. Different techniques employ different scales to rank acid-base properties. Based on the results from literature and the authors' own investigations for mineral oxides, these scales are compared. The comparison shows that Isoelectric Point (IEP), the most commonly used AB scale, is not a description of the absolute basicity or acidity of a surface, but a description of their relative strength. That is, a high IEP surface shows more basic functionality comparing with its acidic functionality, whereas a low IEP surface shows less basic functionality comparing with its acidic functionality. The choice of technique and scale for AB characterization depends on the specific application. For the cases in which the overall AB property is of interest, IEP (by electrokinetic titration) and H(0,max) (by indicator dye adsorption) are appropriate. For the cases in which the absolute AB property is of interest such as in the study of adhesion, it is more pertinent to use chemical shift (by XPS) and the heat of adsorption of probe gases (by calorimetry or IGC).

Site-index curves for young-growth ponderosa pine in northern Arizona

Treesearch

Charles O. Minor

1964-01-01

The productive capacity or site quality of an area enters into nearly every phase of forest management from regeneration to final harvest. No standards or measures of site quality have been developed specifically for ponderosa pine in the Southwest, which handicaps the forest manager. The major objective of the present study was to develop the basic site-index curves...

Site Productivity and Tree Mortality on New Frontiers of Gypsy Moth Infestation

Treesearch

David A. Gansner; David A. Gansner

1987-01-01

Recent analysis of forest stand losses to gypsy moth has provided basic information for analyzing the relationship between forest site productivity and tree mortality on new frontiers of infestation. Poor timber-growing sites had the lowest rates of mortality. Oak mortality (number of trees) amounted to 18 percent on poor sites compared with 26 percent on medium and 28...

Identification of B. anthracis N(5)-carboxyaminoimidazole ribonucleotide mutase (PurE) active site binding compounds via fragment library screening.

PubMed

Lei, Hao; Jones, Christopher; Zhu, Tian; Patel, Kavankumar; Wolf, Nina M; Fung, Leslie W-M; Lee, Hyun; Johnson, Michael E

2016-02-15

The de novo purine biosynthesis pathway is an attractive target for antibacterial drug design, and PurE from this pathway has been identified to be crucial for Bacillus anthracis survival in serum. In this study we adopted a fragment-based hit discovery approach, using three screening methods-saturation transfer difference nucleus magnetic resonance (STD-NMR), water-ligand observed via gradient spectroscopy (WaterLOGSY) NMR, and surface plasmon resonance (SPR), against B. anthracis PurE (BaPurE) to identify active site binding fragments by initially testing 352 compounds in a Zenobia fragment library. Competition STD NMR with the BaPurE product effectively eliminated non-active site binding hits from the primary hits, selecting active site binders only. Binding affinities (dissociation constant, KD) of these compounds varied between 234 and 301μM. Based on test results from the Zenobia compounds, we subsequently developed and applied a streamlined fragment screening strategy to screen a much larger library consisting of 3000 computationally pre-selected fragments. Thirteen final fragment hits were confirmed to exhibit binding affinities varying from 14μM to 700μM, which were categorized into five different basic scaffolds. All thirteen fragment hits have ligand efficiencies higher than 0.30. We demonstrated that at least two fragments from two different scaffolds exhibit inhibitory activity against the BaPurE enzyme. Published by Elsevier Ltd.

Use of split-thickness plantar skin grafts in the management of leg and foot skin defects.

PubMed

Liu, Hung-Hui; Chang, Chun-Kai; Huang, Chih-Han; Wu, Jen-Ru; Chen, Chun-Yu; Huang, Dun-Wei; Chu, Tzi-Shiang; Hsu, Kuo-Feng; Wang, Chi-Yu; Chiang, I-Han; Ou, Kuang-Ling; Wang, Chih-Hsin; Dai, Niann-Tzyy; Chen, Shyi-Gen; Tzeng, Yuan-Sheng

2018-05-24

The basic principle of donor site selection is to take skin from areas that will heal with minimal scarring while balancing the needs of the recipient site. For skin loss from the lower legs and feet, the most common harvest site for split-thickness skin grafts is the anterior or posterior thigh; grafts from the plantar areas have been mostly used to cover the volar aspect of digits and palms. Between September 2015 and September 2017, 42 patients with areas of skin loss on the legs or feet were treated with plantar skin grafts because of their cosmetic benefits and the convenience of the surgical procedure and postoperative wound care. Our technique of harvesting a single layer of split-thickness skin graft (0.014 in. thick) from a non-weight-bearing area of the foot of the injured leg is simple and provided good functional and cosmetic outcomes at both the donor and recipient sites. All patients were very satisfied with the recovery progress and final results. Therefore, in the management of skin defects in the lower legs or feet that comprise less than 1.5% of the total body surface area, our surgical method is a reliable alternative to anterior or posterior thigh skin grafting. © 2018 Medicalhelplines.com Inc and John Wiley & Sons Ltd.

Surface Proteins of Gram-Positive Bacteria and Mechanisms of Their Targeting to the Cell Wall Envelope

PubMed Central

Navarre, William Wiley; Schneewind, Olaf

1999-01-01

The cell wall envelope of gram-positive bacteria is a macromolecular, exoskeletal organelle that is assembled and turned over at designated sites. The cell wall also functions as a surface organelle that allows gram-positive pathogens to interact with their environment, in particular the tissues of the infected host. All of these functions require that surface proteins and enzymes be properly targeted to the cell wall envelope. Two basic mechanisms, cell wall sorting and targeting, have been identified. Cell well sorting is the covalent attachment of surface proteins to the peptidoglycan via a C-terminal sorting signal that contains a consensus LPXTG sequence. More than 100 proteins that possess cell wall-sorting signals, including the M proteins of Streptococcus pyogenes, protein A of Staphylococcus aureus, and several internalins of Listeria monocytogenes, have been identified. Cell wall targeting involves the noncovalent attachment of proteins to the cell surface via specialized binding domains. Several of these wall-binding domains appear to interact with secondary wall polymers that are associated with the peptidoglycan, for example teichoic acids and polysaccharides. Proteins that are targeted to the cell surface include muralytic enzymes such as autolysins, lysostaphin, and phage lytic enzymes. Other examples for targeted proteins are the surface S-layer proteins of bacilli and clostridia, as well as virulence factors required for the pathogenesis of L. monocytogenes (internalin B) and Streptococcus pneumoniae (PspA) infections. In this review we describe the mechanisms for both sorting and targeting of proteins to the envelope of gram-positive bacteria and review the functions of known surface proteins. PMID:10066836

Continued benefits of a technical assistance web site to local tobacco control coalitions during a state budget shortfall.

PubMed

Buller, David B; Young, Walter F; Bettinghaus, Erwin P; Borland, Ron; Walther, Joseph B; Helme, Donald; Andersen, Peter A; Cutter, Gary R; Maloy, Julie A

2011-01-01

A state budget shortfall defunded 10 local tobacco coalitions during a randomized trial but defunded coalitions continued to have access to 2 technical assistance Web sites. To test the ability of Web-based technology to provide technical assistance to local tobacco control coalitions. Randomized 2-group trial with local tobacco control coalitions as the unit of randomization. Local communities (ie, counties) within the State of Colorado. Leaders and members in 34 local tobacco control coalitions funded by the state health department in Colorado. Two technical assistance Web sites: A Basic Web site with text-based information and a multimedia Enhanced Web site containing learning modules, resources, and communication features. Use of the Web sites in minutes, pages, and session and evaluations of coalition functioning on coalition development, conflict resolution, leadership satisfaction, decision-making satisfaction, shared mission, personal involvement, and organization involvement in survey of leaders and members. Coalitions that were defunded but had access to the multimedia Enhanced Web site during the Fully Funded period and after defunding continued to use it (treatment group × funding status × period, F(3,714) = 3.18, P = .0234). Coalitions with access to the Basic Web site had low Web site use throughout and use by defunded coalitions was nearly zero when funding ceased. Members in defunded Basic Web site coalitions reported that their coalitions functioned worse than defunded Enhanced Web site coalitions (coalition development: group × status, F(1,360) = 4.81, P = .029; conflict resolution: group × status, F(1,306) = 5.69, P = .018; leadership satisfaction: group × status, F(1,342) = 5.69, P = .023). The Enhanced Web site may have had a protective effect on defunded coalitions. Defunded coalitions may have increased their capacity by using the Enhanced Web site when fully funded or by continuing to use the available online resources after defunding. Web-based technical assistance with online training and resources may be a good investment when future funding is not ensured.

Sorption Behavior of Dye Compounds onto Natural Sediment of Qinghe River.

PubMed

Liu, Ruixia; Liu, Xingmin; Tang, Hongxiao; Su, Yongbo

2001-07-15

The objective of this study is to assess the adsorption behavior of C.I. Basic Yellow X-5GL, C.I. Basic Red 13, C.I. Direct Blue 86, C.I. Vat Yellow 2, and C.I. Mordant Black 11 on natural sediment and to identify sediment characteristics that play a predominant role in the adsorption of the dyes. The potentiometric titration experiment is used to investigate acid-base properties of the sediment surface with a constant capacitance surface complexation model. The parameters controlling the sorption such as solution pH and ion strength, as well as the influence of organic carbon and Ca(2+) ion on the adsorption, are evaluated. It is shown that the titration data can be successfully described by the surface protonation and deprotonation model with the least-squares FITEQL program 2.0. The sorption isotherm data are fitted to the Freundlich equation in a nonlinear form (1/n=0.3-0.9) for all tested dyes. With increasing pH value, the sorption of C.I. Mordant Black 11 and C.I. Direct Blue 86 on the sediment decreases, while for C.I. Basic Yellow X-5GL and C.I. Basic Red 13, the extent of sorption slightly increases. In addition, ion strength also exhibits a considerably different effect on the sorption behavior of these dye compounds. The addition of Ca(2+) can greatly reduce the sorption of C.I. Basic Red 13 on the sediment surface, while it enhances the sorption of C.I. Direct Blue 6. The removal of organic carbon decreases the sorption of C.I. Mordant Black 11 and C.I. Direct Blue 86. In contrast, the sorption of C.I. Basic Red 13 and C.I. Basic Yellow X-5GL is obviously enhanced after the removal of organic carbon. The differences in adsorption behavior are mainly attributed to the physicochemical properties of these dye compounds. Copyright 2001 Academic Press.

Adsorption of basic Red 46 using sea mango (Cerbera odollam) based activated carbon

NASA Astrophysics Data System (ADS)

Azmi, Nur Azira Iqlima; Zainudin, Nor Fauziah; Ali, Umi Fazara Md

2015-05-01

Sea mango or Cerbera Odollam is another source of carbonaceous material that can be found abundantly in Malaysia. In this research, it is used as a new agricultural source of activated carbon. Sea mango activated carbon was prepared by chemical activation using potassium hydroxide (KOH). The sea mango was soaked in KOH at impregnation ratio of 1:1 and followed by carbonization at temperature of 600°C for 1 hour. The sample was then characterized using Scanning Electron Microscope (SEM) for surface morphology, while Brunauer-Emmett-Teller (BET) was used to study the surface area. The result shown that sea mango activated carbon (SMAC) developed new pores on its surface and the BET surface area measured was 451.87 m2/g. The SMAC performance was then tested for the removal of Basic Red 46 in batch process. The removal of Basic Red 46 (50 mg/L, natural pH, 0.1 g SMAC) was more than 99% in 15 minutes where it reached equilibrium in 30 minutes.

A unifying model for adsorption and nucleation of vapors on solid surfaces.

PubMed

Laaksonen, Ari

2015-04-23

Vapor interaction with solid surfaces is traditionally described with adsorption isotherms in the undersaturated regime and with heterogeneous nucleation theory in the supersaturated regime. A class of adsorption isotherms is based on the idea of vapor molecule clustering around so-called active sites. However, as the isotherms do not account for the surface curvature effects of the clusters, they predict an infinitely thick adsorption layer at saturation and do not recognize the existence of the supersaturated regime. The classical heterogeneous nucleation theory also builds on the idea of cluster formation, but describes the interactions between the surface and the cluster with a single parameter, the contact angle, which provides limited information compared with adsorption isotherms. Here, a new model of vapor adsorption on nonporous solid surfaces is derived. The basic assumption is that adsorption proceeds via formation of molecular clusters, modeled as liquid caps. The equilibrium of the individual clusters with the vapor phase is described with the Frenkel-Halsey-Hill (FHH) adsorption theory modified with the Kelvin equation that corrects for the curvature effect on vapor pressure. The new model extends the FHH adsorption isotherm to be applicable both at submonolayer surface coverages and at supersaturated conditions. It shows good agreement with experimental adsorption data from 12 different adsorbent-adsorbate systems. The model predictions are also compared against heterogeneous nucleation data, and they show much better agreement than predictions of the classical heterogeneous nucleation theory.

Internet starter kit update 1997

DOT National Transportation Integrated Search

1997-01-01

The Bureau of Transportation Statistics (BTS) established an Internet site in 1995, and also produced an Internet Starter Kit not only to assist transportation professionals in accessing the new Internet site but also to give them a basic overview of...

Catching (and Keeping!) E-Patrons.

ERIC Educational Resources Information Center

Puacz, Jeanne Holba

2002-01-01

Based on experiences of the Vigo County Public Library in Terre Haute, Indiana, this article outlines ways libraries can attract patrons to their Web sites and features that can keep them returning. Discusses marketing and publicity; basic content and special sources and services; attractive and easy-to-use site design; good Web site maintenance;…

20 CFR 656.17 - Basic labor certification process.

Code of Federal Regulations, 2010 CFR

2010-04-01

... participant in the job fair. (B) Employer's Web site. The use of the employer's Web site as a recruitment... involved in the application. (C) Job search Web site other than the employer's. The use of a job search Web...) The Department of Labor may issue or require the use of certain identifying information, including...

Web Sites for Young Children: Gateway to Online Social Networking?

ERIC Educational Resources Information Center

Bauman, Sheri; Tatum, Tanisha

2009-01-01

Traffic on Web sites for young children (ages 3-12) has increased exponentially in recent years. Advocates proclaim that they are safe introductions to the Internet and online social networking and teach essential 21st-century skills. Critics note developmental concerns. In this article, we provide basic information about Web sites for young…

Spatial Interpretation of Tower, Chamber and Modelled Terrestrial Fluxes in a Tropical Forest Plantation

NASA Astrophysics Data System (ADS)

Whidden, E.; Roulet, N.

2003-04-01

Interpretation of a site average terrestrial flux may be complicated in the presence of inhomogeneities. Inhomogeneity may invalidate the basic assumptions of aerodynamic flux measurement. Chamber measurement may miss or misinterpret important temporal or spatial anomalies. Models may smooth over important nonlinearities depending on the scale of application. Although inhomogeneity is usually seen as a design problem, many sites have spatial variance that may have a large impact on net flux, and in many cases a large homogeneous surface is unrealistic. The sensitivity and validity of a site average flux are investigated in the presence of an inhomogeneous site. Directional differences are used to evaluate the validity of aerodynamic methods and the computation of a site average tower flux. Empirical and modelling methods are used to interpret the spatial controls on flux. An ecosystem model, Ecosys, is used to assess spatial length scales appropriate to the ecophysiologic controls. A diffusion model is used to compare tower, chamber, and model data, by spatially weighting contributions within the tower footprint. Diffusion model weighting is also used to improve tower flux estimates by producing footprint averaged ecological parameters (soil moisture, soil temperature, etc.). Although uncertainty remains in the validity of measurement methods and the accuracy of diffusion models, a detailed spatial interpretation is required at an inhomogeneous site. Flux estimation between methods improves with spatial interpretation, showing the importance to an estimation of a site average flux. Small-scale temporal and spatial anomalies may be relatively unimportant to overall flux, but accounting for medium-scale differences in ecophysiological controls is necessary. A combination of measurements and modelling can be used to define the appropriate time and length scales of significant non-linearity due to inhomogeneity.

Results of the Part-Task Shiphandling Trainer Pre-Prototype Training Effectiveness Evaluation (TEE)

DTIC Science & Technology

1985-03-01

Navy officers from many dfferent operational and school commands were asked to visit the trainer, witness and partake in a demonstration, and evaluate...maneuvering in restricted waters. Sixty-three students from the Surface Warfare Officers School (Basic) participated in these training experiments...officers of the Surface Warfare Officer School (Basic) in Newport. - Rhode Island for their participation in this study. Special thanks is extended to

Basic evaluation of typical nanoporous silica nanoparticles in being drug carrier: Structure, wettability and hemolysis.

PubMed

Li, Jing; Guo, Yingyu

2017-04-01

Herein, the present work devoted to study the basic capacity of nanoporous silica nanoparticles in being drug carrier that covered structure, wettability and hemolysis so as to provide crucial evaluation. Typical nanoporous silica nanoparticles that consist of nanoporous silica nanoparticles (NSN), amino modified nanoporous silica nanoparticles (amino-NSN), carboxyl modified nanoporous silica nanoparticles (carboxyl-NSN) and hierachical nanoporous silica nanoparticles (hierachical-NSN) were studied. The results showed that their wettability and hemolysis were closely related to structure and surface modification. Basically, wettability became stronger as the amount of OH on the surface of NSN was higher. Both large nanopores and surface modification can reduce the wettability of NSN. Furthermore, NSN series were safe to be used when they circulated into the blood in low concentration, while if high concentration can not be avoided during administration, high porosity or amino modification of NSN were safer to be considered. It is believed that the basic evaluation of NSN can make contribution in providing scientific instruction for designing drug loaded NSN systems. Copyright © 2016 Elsevier B.V. All rights reserved.

The BG21 isoform of Golli myelin basic protein is intrinsically disordered with a highly flexible amino-terminal domain.

PubMed

Ahmed, Mumdooh A M; Bamm, Vladimir V; Harauz, George; Ladizhansky, Vladimir

2007-08-28

The genes of the oligodendrocyte lineage (Golli) encode a family of developmentally regulated isoforms of myelin basic protein. The "classic" MBP isoforms arise from transcription start site 3, whereas Golli-specific isoforms arise from transcription start site 1, and comprise both Golli-specific and classic MBP sequences. The Golli isoform BG21 has been suggested to play roles in myelination and T cell activation pathways. It is an intrinsically disordered protein, thereby presenting a large effective surface area for interaction with other proteins such as Golli-interacting protein. We have used multidimensional heteronuclear NMR spectroscopy to achieve sequence-specific resonance assignments of the recombinant murine BG21 in physiologically relevant buffer, to analyze its secondary structure using chemical shift indexing (CSI), and to investigate its backbone dynamics using 15N spin relaxation measurements. We have assigned 184 out of 199 residues unambiguously. The CSI analysis revealed little ordered secondary structure under these conditions, with only some small fragments having a slight tendency toward alpha-helicity, which may represent putative recognition motifs. The 15N relaxation and NOE measurements confirmed the general behavior of the protein as an extended polypeptide chain, with the N-terminal Golli-specific portion (residues S5-T69) being exceptionally flexible, even in comparison to other intrinsically disordered proteins that have been studied this way. The high degree of flexibility of this N-terminal region may be to provide additional plasticity, or conformational adaptability, in protein-protein interactions. Another highly mobile segment, A126-S127-G128-G129, may function as a hinge.

Electrospun polycaprolactone nanofibres decorated by drug loaded chitosan nano-reservoirs for antibacterial treatments

NASA Astrophysics Data System (ADS)

Guarino, Vincenzo; Cruz-Maya, Iriczalli; Altobelli, Rosaria; Khodir, W. K. Abdul; Ambrosio, Luigi; Alvarez Pèrez, Marco A.; Almaguer Flores, Argelia

2017-12-01

The main limitation of conventional antibiotic therapies concerns the low efficacy to fight bacteria attacks during long treatment times. In this context, the integrated use of electrofluidodynamics (EFDs)—basically electrospinning and electrospraying—may represent an interesting route for designing nanostructured platforms with controlled release to prevent the formation of bacterial biofilms in oral implant sites. They allow for the deposition of nanofibres and nanoparticles by different modes—i.e. sequential, simultaneous—for the fabrication of more efficacious systems in terms of degradation protection, pharmacokinetic control and drug distribution to the surrounding tissues. Herein, we will investigate EFDs processing modes and conditions to decorate polycaprolactone nanofibres surfaces by chitosan nano-reservoirs for the administration of Amoxicillin Trihydrate as an innovative antibacterial treatment of the periodontal pocket.

Visualization of Concrete Slump Flow Using the Kinect Sensor

PubMed Central

Park, Minbeom

2018-01-01

Workability is regarded as one of the important parameters of high-performance concrete and monitoring it is essential in concrete quality management at construction sites. The conventional workability test methods are basically based on length and time measured by a ruler and a stopwatch and, as such, inevitably involves human error. In this paper, we propose a 4D slump test method based on digital measurement and data processing as a novel concrete workability test. After acquiring the dynamically changing 3D surface of fresh concrete using a 3D depth sensor during the slump flow test, the stream images are processed with the proposed 4D slump processing algorithm and the results are compressed into a single 4D slump image. This image basically represents the dynamically spreading cross-section of fresh concrete along the time axis. From the 4D slump image, it is possible to determine the slump flow diameter, slump flow time, and slump height at any location simultaneously. The proposed 4D slump test will be able to activate research related to concrete flow simulation and concrete rheology by providing spatiotemporal measurement data of concrete flow. PMID:29510510

Visualization of Concrete Slump Flow Using the Kinect Sensor.

PubMed

Kim, Jung-Hoon; Park, Minbeom

2018-03-03

Workability is regarded as one of the important parameters of high-performance concrete and monitoring it is essential in concrete quality management at construction sites. The conventional workability test methods are basically based on length and time measured by a ruler and a stopwatch and, as such, inevitably involves human error. In this paper, we propose a 4D slump test method based on digital measurement and data processing as a novel concrete workability test. After acquiring the dynamically changing 3D surface of fresh concrete using a 3D depth sensor during the slump flow test, the stream images are processed with the proposed 4D slump processing algorithm and the results are compressed into a single 4D slump image. This image basically represents the dynamically spreading cross-section of fresh concrete along the time axis. From the 4D slump image, it is possible to determine the slump flow diameter, slump flow time, and slump height at any location simultaneously. The proposed 4D slump test will be able to activate research related to concrete flow simulation and concrete rheology by providing spatiotemporal measurement data of concrete flow.

Particle transport and deposition: basic physics of particle kinetics

PubMed Central

Tsuda, Akira; Henry, Frank S.; Butler, James P.

2015-01-01

The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. Whereas the particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drug. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this chapter. A large portion of this chapter deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: 1) the physical characteristics of particles, 2) particle behavior in gas flow, and 3) gas flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The chapter concludes with a summary and a brief discussion of areas of future research. PMID:24265235

[Adipose-derived stromal cells (ASC) - basics and therapeutic approaches in otorhinolaryngology].

PubMed

Frölich, K; Hagen, R; Kleinsasser, N

2014-06-01

Adipose-derived Stromal Cells (ASC) - Basics and Therapeutic Approaches in Otorhinolaryngology Mesenchymal stem cells from adipose tissue can be easily harvested with less discomfort, low donor-site morbidity and high amount compared to bone marrow-derived stem cells. Due to their multilineage differentiation potential in various cell types, immunmodulatory properties and their capability to enhance wound healing, ASC are a promising cell source for tissue engineering approaches and regenerative medicine. They are characterized by the expression of specific surface marker proteins and their differentiation potential into the mesenchymal lineages. Whereas only preclinical studies are published for otorhinolaryngology-related therapeutic options using ASC, various diseases, for instance graft-versus-host disease, have already been treated with ASC in single cases or clinical trials. Safety and genomic stability of ASC as well as the risk of spontaneous malignant transformation are still disputed. This review summarizes the current literature on characterization and anatomic localization of ASC. In addition, beside the presentation of preclinical studies concerning therapeutic approaches in otorhinolaryngology as well as of current clinical applications, the issue of safety of ASC in human stem cell therapy is discussed. © Georg Thieme Verlag KG Stuttgart · New York.

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

Du, Jiansen; Xue, Hailing; Ma, Jing

HIV CRF07 B′/C is a strain circulating mainly in northwest region of China. The gp41 region of CRF07 is derived from a clade C virus. In order to compare the difference of CRF07 gp41 with that of typical clade B virus, we solved the crystal structure of the core region of CRF07 gp41. Compared with clade B gp41, CRF07 gp41 evolved more basic and hydrophilic residues on its helix bundle surface. Based on sequence alignment, a hyper-mutant cluster located in the middle of HR2 heptads repeat was identified. The mutational study of these residues revealed that this site is importantmore » in HIV mediated cell–cell fusion and plays critical roles in conformational changes during viral invasion. - Highlights: • We solved the crystal structure of HIV CRF07 gp41 core region. • A hyper-mutant cluster in the middle of HR2 heptads repeat was identified. • The hyper-mutant site is important in HIV-cell fusion. • The model will help to understand the HIV fusion process.« less

Array-Based Rational Design of Short Peptide Probe-Derived from an Anti-TNT Monoclonal Antibody.

PubMed

Okochi, Mina; Muto, Masaki; Yanai, Kentaro; Tanaka, Masayoshi; Onodera, Takeshi; Wang, Jin; Ueda, Hiroshi; Toko, Kiyoshi

2017-10-09

Complementarity-determining regions (CDRs) are sites on the variable chains of antibodies responsible for binding to specific antigens. In this study, a short peptide probe for recognition of 2,4,6-trinitrotoluene (TNT), was identified by testing sequences derived from the CDRs of an anti-TNT monoclonal antibody. The major TNT-binding site in this antibody was identified in the heavy chain CDR3 by antigen docking simulation and confirmed by an immunoassay using a spot-synthesis based peptide array comprising amino acid sequences of six CDRs in the variable region. A peptide derived from heavy chain CDR3 (RGYSSFIYWF) bound to TNT with a dissociation constant of 1.3 μM measured by surface plasmon resonance. Substitution of selected amino acids with basic residues increased TNT binding while substitution with acidic amino acids decreased affinity, an isoleucine to arginine change showed the greatest improvement of 1.8-fold. The ability to create simple peptide binders of volatile organic compounds from sequence information provided by the immune system in the creation of an immune response will be beneficial for sensor developments in the future.

Geographic applications of ERTS-A imagery to rural landscape change

NASA Technical Reports Server (NTRS)

Rehder, J. B. (Principal Investigator)

1972-01-01

There are no author-identified significant results in this report. The study area, centered on Knoxville, Tennessee, encompasses nearly 20,000 square miles. The Knoxville Test Site, an 11 x 21 mile area over the city of Knoxville and the western portion of Knox County, has been chosen for the analysis of landscape change detection associated with urban growth. The second area, the Cumberland Plateau Test Site, exhibits landscape change through forest alterations and landform disturbances associated with strip mining in the area and was so chosen for its sharp contrasts in physical and human phenomena as well as its change dynamics. Accomplishments since reception of ERTS-1 imagery include: (1) basic cataloging and classifying of the data into a filling system; (2) a densitometer analysis; (3) first look analysis; and (4) preparation of results from the project. Examples of all four bands of the MSS have been received and analyses reveal distinctive positive and negative reactions. Band 5 has been found to be best for landscape analysis of contrasts between urban and rural landscapes, and band 7 for topographic features and water surfaces. Preliminary results are summarized.

pH-sensitive nanocargo based on smart polymer functionalized graphene oxide for site-specific drug delivery.

PubMed

Kavitha, Thangavelu; Abdi, Syed Izhar Haider; Park, Soo-Young

2013-04-14

Graphene oxide (GO) was functionalized covalently with pH-sensitive poly(2-(diethylamino) ethyl methacrylate) (PDEA) by surface-initiated in situ atom transfer radical polymerization. The structure of the PDEA-grafted GO (GO-PDEA) were examined by Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance spectroscopy, X-ray photoelectron spectroscopy, thermogravimetric analysis and atomic force microscopy. The grafted PDEA endowed the GO sheets with good solubility and stability in physiological solutions. Simple physisorption by π-π stacking and hydrophobic interactions on GO-PDEA can be used to load camptothecin (CPT), a widely used water-insoluble cancer drug. The loaded CPT was released only at the lower (acidic) pH normally found in a tumor environment but not in basic and neutral pH. GO-PDEA did not show practical toxicity to N2a cancer cells but the GO-PDEA-CPT complex exhibited high potency in killing N2a cancer cells in vitro. These results suggest that the GO-PDEA nanocargo carrier might be a promising material for site-specific anticancer drug delivery and controlled release.

Wisconsin Workplace Partnership Literacy Program (WPL). Evaluation. 2nd Edition.

ERIC Educational Resources Information Center

Paris, Kathleen A.

The Wisconsin Workplace Partnership Literacy (WPL) Program provided job-specific basic skills education to employees at 11 worksites. A total of 1,441 employees were recruited to participate in on-site competency-based educational activities to upgrade their basic skills sufficiently for job retention or advancement. Participants were encouraged…

Maintenance Solutions for Bleeding and Flushed Pavements Surfaced with a Seal Coat or Surface Treatment

DOT National Transportation Integrated Search

2007-02-01

This report summarizes the findings of research directed at identifying maintenance solutions for bleeding and : flushed asphalt pavements surfaced with seal coats or surface treatments. Although the basic mechanism associated with : both bleeding an...

Advanced Thermionic Technology Program

NASA Technical Reports Server (NTRS)

1977-01-01

Topics include surface studies (surface theory, basic surface experiments, and activation chamber experiments); plasma studies (converter theory and enhanced mode conversion experiments); and component development (low temperature conversion experiments, high efficiency conversion experiments, and hot shell development).

Three-dimensional elliptic grid generation technique with application to turbomachinery cascades

NASA Technical Reports Server (NTRS)

Chen, S. C.; Schwab, J. R.

1988-01-01

Described is a numerical method for generating 3-D grids for turbomachinery computational fluid dynamic codes. The basic method is general and involves the solution of a quasi-linear elliptic partial differential equation via pointwise relaxation with a local relaxation factor. It allows specification of the grid point distribution on the boundary surfaces, the grid spacing off the boundary surfaces, and the grid orthogonality at the boundary surfaces. A geometry preprocessor constructs the grid point distributions on the boundary surfaces for general turbomachinery cascades. Representative results are shown for a C-grid and an H-grid for a turbine rotor. Two appendices serve as user's manuals for the basic solver and the geometry preprocessor.

Mechanism of oxygen electroreduction on gold surfaces in basic media.

PubMed

Kim, Jongwon; Gewirth, Andrew A

2006-02-16

The mechanism of the electroreduction of oxygen on Au surfaces in basic media is examined using surface-enhanced Raman scattering (SERS) measurements and density functional theory (DFT) calculations. The spectroscopy reveals superoxide species as a reduction intermediate throughout the oxygen electroreduction, while no peroxide is detected. The spectroscopy also shows the presence of superoxide after the addition of hydrogen peroxide. The calculations show no effect of OH addition to the Au(100) surface with regard to O-O length. These results suggest that the four-electron reduction of O(2) on Au(100) in base arises from a disproportionation mechanism which is enhanced on Au(100) relative to the other two low Miller index faces of Au.

Surface waters of the Washita River basin in Oklahoma--magnitude, distribution, and quality of streamflow

USGS Publications Warehouse

Laine, L.L.

1958-01-01

Analysis of streamflow data shows that water supply in the Washita River basin is variable, ranging from substantial amounts and almost continuous flow in the Washita River in the lower end of the basin to somewhat limited and intermittent flow in the upper part of the basin. The total yield of the basin averages 1,557,000 acre-ft per year, of which somewhat less than 1.3 percent is contributed by headwater areas in Texas. The surface waters are generally of acceptable quality for drinking purposes, excellent for irrigation uses, and suitable for many industrial purposes. In Oklahoma the high amounts of runoff tend to occur in the spring months. High runoff may occur during any month in the year but, in general, the available streamflow is relatively small in the summer. Most tributary streams have little sustained base flow and many are dry at times each year. Because of the high variability in flow, development of storage will be necessary to attain maximum utilization of the available water supplies. This report gives the average discharge at most gaging stations and at several additional sites for the 16-year period October 1938 to September 1954, used as a standard period in this report. Data are also shown on water available at several gaging stations and other sites for a given percentage of the time during the 16-year standard period. For several gaging stations data are given on minimum discharges for periods of various length during the most critical periods of record. For all gaging stations a summary of available basic data on streamflow is presented on a monthly annual basis. For other sites at which discharge measurements have been made, a tabulation of observed discharge is given. (available as photostat copy only)

Basic visual perceptual processes in children with typical development and cerebral palsy: The processing of surface, length, orientation, and position.

PubMed

Schmetz, Emilie; Magis, David; Detraux, Jean-Jacques; Barisnikov, Koviljka; Rousselle, Laurence

2018-03-02

The present study aims to assess how the processing of basic visual perceptual (VP) components (length, surface, orientation, and position) develops in typically developing (TD) children (n = 215, 4-14 years old) and adults (n = 20, 20-25 years old), and in children with cerebral palsy (CP) (n = 86, 5-14 years old) using the first four subtests of the Battery for the Evaluation of Visual Perceptual and Spatial processing in children. Experiment 1 showed that these four basic VP processes follow distinct developmental trajectories in typical development. Experiment 2 revealed that children with CP present global and persistent deficits for the processing of basic VP components when compared with TD children matched on chronological age and nonverbal reasoning abilities.

Biochemistry of the tale transcription factors PREP, MEIS, and PBX in vertebrates.

PubMed

Longobardi, E; Penkov, D; Mateos, D; De Florian, G; Torres, M; Blasi, Francesco

2014-01-01

TALE (three amino acids loop extension) homeodomain transcription factors are required in various steps of embryo development, in many adult physiological functions, and are involved in important pathologies. This review focuses on the PREP, MEIS, and PBX sub-families of TALE factors and aims at giving information on their biochemical properties, i.e., structure, interactors, and interaction surfaces. Members of the three sets of protein form dimers in which the common partner is PBX but they can also directly interact with other proteins forming higher-order complexes, in particular HOX. Finally, recent advances in determining the genome-wide DNA-binding sites of PREP1, MEIS1, and PBX1, and their partial correspondence with the binding sites of some HOX proteins, are reviewed. These studies have generated a few general rules that can be applied to all members of the three gene families. PREP and MEIS recognize slightly different consensus sequences: PREP prefers to bind to promoters and to have PBX as a DNA-binding partner; MEIS prefers HOX as partner, and both PREP and MEIS drive PBX to their own binding sites. This outlines the clear individuality of the PREP and MEIS proteins, the former mostly devoted to basic cellular functions, the latter more to developmental functions. Copyright © 2013 Wiley Periodicals, Inc.

Organic and inorganic molecules as probes of mineral surfaces (Invited)

NASA Astrophysics Data System (ADS)

Sverjensky, D. A.

2010-12-01

Although the multi-site nature of mineral surfaces is to be expected based on the underlying crystal structure, definitive evidence of the need to use more than one site in modelling proton surface charge or adsorption of a single adsorbate at the mineral-water interface is lacking. Instead, a single-site approach affords a practical way of averaging over all possible crystal planes and sites in a powdered mineral sample. Extensive analysis of published proton surface charge and adsorption of metals on oxide mineral surfaces can be undertaken with a single site density for each mineral based on tritium exchange or estimation from averages of the site densities of likely exposed surfaces. Even in systems with competing metals (e.g. Cu and Pb on hematite), the same site density as used for proton surface charge can be employed depending on the reaction stoichiometry. All of this indicates that protons and metals can bind to a great variety of sites with the same overall site density. However, simple oxyanions such as carbonate, sulfate, selenate, arsenate and arsenite require a much lower site density for a given mineral. For example, on goethite these oxyanions utilize a site density that correlates with the BET surface area of the goethite. In this way, the oxyanions can be thought of as selectively probing the available sites on the mineral. The correlation probably arises because goethites with different BET surface areas have different proportions of singly and multiply-bonded oxygens, and only the singly-bonded oxygens are useful for inner-sphere surface complexation by the ligand exchange mechanism. Small organic molecules behave in a remarkably similar way. For example, adsorption of oxalate on goethite, and aspartate, glutamate, dihydroxyphenylalanine, lysine and arginine on rutile are all consistent with a much smaller site density than those required for metals such as calcium or neodymium. Overall, these results suggest that both inorganic oxyanions and organic molecules containing carboxylate functional groups serve as much more sensitive probes of the surface structures of minerals than do protons or metals.

Mars Observer: Mission toward a basic understanding of Mars

NASA Technical Reports Server (NTRS)

Albee, Arden L.

1992-01-01

The Mars Observer Mission will provide a spacecraft platform about Mars from which the entire Martian surface and atmosphere will be observed and mapped by remote sensing instruments for at least 1 Martian year. The scientific objectives for the Mission emphasize qualitative and quantitative determination of the elemental and mineralogical composition of the surface; measurement of the global surface topography, gravity field, and magnetic field; and the development of a synoptic data base of climatological conditions. The Mission will provide basic global understanding of Mars as it exists today and will provide a framework for understanding its past.

Introduction to the physics and techniques of remote sensing

NASA Technical Reports Server (NTRS)

Elachi, Charles

1987-01-01

This book presents a comprehensive overview of the basics behind remote-sensing physics, techniques, and technology. The physics of wave/matter interactions, techniques of remote sensing across the electromagnetic spectrum, and the concepts behind remote sensing techniques now established and future ones under development are discussed. Applications of remote sensing are described for a wide variety of earth and planetary atmosphere and surface sciences. Solid surface sensing across the electromagnetic spectrum, ocean surface sensing, basic principles of atmospheric sensing and radiative transfer, and atmospheric remote sensing in the microwave, millimeter, submillimeter, and infrared regions are examined.

Site Selection for Mars Surveyor Landing Sites: Some Key Factors for 2001 and Relation to Long-Term Exploration of Mars

NASA Astrophysics Data System (ADS)

Head, James W.

1999-01-01

The Site Selection Process: Site selection as a process can be subdivided into several main elements and these can be represented as the corners of a tetrahedron. Successful site selection outcome requires the interactions between these elements or corners, and should also take into account several other external factors or considerations. In principle, elements should be defined in approximately the following order: (1) major scientific and programmatic goals and objectives: What are the major questions that are being asked, goals that should be achieved, and objectives that must be accomplished. Do programmatic goals (e.g., sample return) differ from mission goals (e.g., precursor to sample return)? It is most helpful if these questions can be placed in the context of site characterization and hypothesis testing (e.g., Was Mars warm and wet in the Noachian? Land at a Noachian-aged site that shows evidence of surface water and characterize it specifically to address this question). Goals and objectives, then, help define important engineering factors such as type of payload, landing regions of interest (highlands, lowlands, smooth, rough, etc.), mobility, mission duration, etc. Goals and objectives then lead to: (2) spacecraft design and engineering landing site constraints: the spacecraft is designed to optimize the areas that will meet the goals and objectives, but this in turn introduces constraints that must be met in the selection of a landing site. Scientific and programmatic goals and objectives also help to define (3), the specific lander scientific payload requirements and capabilities. For example, what observations and experiments are required to address the major questions? How do we characterize the site in reference to the specific questions? Is mobility required and if so, how much? Which experiments are on the spacecraft, which on the rover? The results of these deliberations should lead to a surface exploration strategy, in which the goals and objectives can in principle be achieved through the exploration of a site meeting the basic engineering constraints. Armed with all of this important background information, one can then proceed to (4) the selection of optimum sites to address major scientific and programmatic objectives. Following the successful completion of this process and the selection of a site or region, there is a further step of mission optimization, in which a detailed mission profile and surface exploration plan is developed. In practice, the process never works in a linear fashion. Scientific goals are influenced by ongoing discoveries and developments and simple crystallization of thinking. Programmatic goals are influenced by evolving fiscal constraints, perspectives on program duration, and roles of specific missions in the context of the larger program. Engineering constraints are influenced by evolving fiscal constraints, decisions on hardware design that may have little to do with scientific goals (e.g., lander clearance; size of landing ellipse), and evolving understanding (e.g., assessment of engineering constraint space reveals further the degree to which mission duration is severely influenced by available solar energy and thus latitude). Lander scientific payload is influenced by fiscal constraints, total mass, evolving complexity, technological developments, and a payload selection process that may involve very long-term goals (e.g., human exploration) as well as shorter term scientific and programmatic goals. Site selection activities commonly involve scientists who are actively trying to decipher the complex geology of the crust of Mars and to unravel its geologic history through geological mapping. By the nature of the process, they are thinking in terms of broad morphostratigraphic units which may have multiple possible origins, defined using images with resolutions of many tens to hundreds of meters, and whose surfaces at the scale of the lander and rover are virtually unknown; this approach and effort is crucially important but does not necessarily readily lend itself to integration with the other elements.

Extending the basic function of lattice oxygen in lepidocrocite titanate - The conversion of intercalated fatty acid to liquid hydrocarbon fuels

NASA Astrophysics Data System (ADS)

Maluangnont, Tosapol; Arsa, Pornanan; Sooknoi, Tawan

2017-12-01

We report herein the basicity of the external and internal lattice oxygen (OL) in lepidocrocite titanates with respect to CO2 and palmitic acid, respectively. Several compositions have been tested with different types of the metal M aliovalently (co)substituted for Ti, K0.8[MyTi2-y]O4 (M = Li, Mg, Fe, Co, Ni, Cu, Zn, Cu/Ni and Cu/Zn). The low CO2 desorption peak temperature (70-100 °C) suggests that the external OL sites are weakly basic similar to TiO2. However, the internal OL sites are sufficiently basic to deprotonate palmitic acid, forming the intercalated potassium palmitate at the interlayer spaces. The latter serves as a two-dimensional (2D) molecular reactor for the production of liquid hydrocarbon fuels via deoxygenation under atmospheric N2. A relationship has been observed between the yield of the liquid products vs the partial charge of the lattice oxygen (δO). Since the deoxygenation pathway is highly dependent on the metal substitution, the redox-active sites might also play some roles. The co-substituted K0.8[Cu0.2Ni0.2]Ti1.6O4 produced 68.0% yield of the liquid products, with 51% saturated and 15% unsaturated C15 hydrocarbons at 350 °C.

Use of olivine and plagioclase saturation surfaces for the petrogenetic modeling of recrystallized basic plutonic systems

NASA Technical Reports Server (NTRS)

Hanson, G. N.

1983-01-01

During petrogenetic studies of basic plutonic rocks, there are at least three major questions to be considered: (1) what were the relative proportions of cumulate crystals and intercumulus melt in a given sample? (2) what is the composition and variation in composition of the melts within the pluton? and (3) what is the original composition of the liquids, their source and evolution prior to the time of emplacement? Use of both saturation surfaces can place strong limits on the compositions of potential cumulate phases and intercumulus melts. Consideration of appropriate trace elements can indicate whether a sample is an orthocumulate, adcumulate or mesocumulate. Thus, when trace element and petrographic data are considered together with the saturation surfaces, it should be possible to begin to answer the three major questions given above, even for strongly recrystallized basic plutons.

Surface Meteorological Station - ANL 10m, (1) Sonics, (1) EBBR, Physics site-3 - Raw Data

DOE Data Explorer

Muradyan, Paytsar

2017-10-23

Sonic anemometers from Physics Site-3 and Site-9 provide wind components and virtual temperature. The energy balance Bowen ratio (EBBR) station at Physics site-3 provides measurements of the surface fluxes of latent and sensible heat, net radiation, and surface soil heat flux.

Surface Meteorological Station - ANL 10m, (1) Sonic, Physics site-9 - Raw Data

DOE Data Explorer

Muradyan, Paytsar

2017-10-23

Sonic anemometers from Physics Site-3 and Site-9 provide wind components and virtual temperature. The energy balance Bowen ratio (EBBR) station at Physics site-3 provides measurements of the surface fluxes of latent and sensible heat, net radiation, and surface soil heat flux.

Surface Meteorological Station - ANL 10m, (1) Sonics, (1) EBBR, Physics site-3 - Reviewed Data

DOE Data Explorer

Muradyan, Paytsar

2018-03-14

Sonic anemometers from Physics Site-3 and Site-9 provide wind components and virtual temperature. The energy balance Bowen ratio (EBBR) station at Physics site-3 provides measurements of the surface fluxes of latent and sensible heat, net radiation, and surface soil heat flux.

Surface Meteorological Station - ANL 10m, (1) Sonic, Physics site-9 - Reviewed Data

DOE Data Explorer

Muradyan, Paytsar

2018-03-14

Sonic anemometers from Physics Site-3 and Site-9 provide wind components and virtual temperature. The energy balance Bowen ratio (EBBR) station at Physics site-3 provides measurements of the surface fluxes of latent and sensible heat, net radiation, and surface soil heat flux.

A solar dynamo surface wave at the interface between convection and nonuniform rotation

NASA Technical Reports Server (NTRS)

Parker, E. N.

1993-01-01

A simple dynamo surface wave is presented to illustrate the basic principles of a dynamo operating in the thin layer of shear and suppressed eddy diffusion beneath the cyclonic convection in the convection zone of the sun. It is shown that the restriction of the shear delta(Omega)/delta(r) to a region below the convective zone provides the basic mode with a greatly reduced turbulent diffusion coefficient in the region of strong azimuthal field. The dynamo takes on the character of a surface wave tied to the lower surface z = 0 of the convective zone. There is a substantial body of evidence suggesting a fibril state for the principal flux bundles beneath the surface of the sun, with fundamental implications for the solar dynamo.

Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface

NASA Astrophysics Data System (ADS)

Qi, Rong-fei; Wang, Zhao-hui; Tang, Fu-ling; Agbonkina, Itohan C.; Xue, Hong-tao; Si, Feng-juan; Ma, Sheng-ling; Wang, Xiao-ka

2018-06-01

Using the first-principles calculations within the density functional-theory (DFT) framework, we theoretically investigated the surface reconstruction, surface states near the Fermi level and their passivation on CuIn0.75Ga0.25Se2 (1 1 2) (CIGS) surface by chlorine, fluorine and hydrogen. Surface reconstruction appears on CIG-terminated CIGS (1 1 2) surface and it is a self-passivation. For the locations of Cl, F and H atoms adsorbing on Se-terminated CIGS (1 1 2) surface, four high symmetry adsorption sites: top sites, bridge sites, hexagonal close-packed (hcp) sites and faced centered cubic (fcc) sites were studied respectively. With the coverage of 0.5 monolayer (ML), Cl, F and H adatoms energetically occupy the top sites on the CIGS (112) surface. The corresponding adsorption energies were -2.20 eV, -3.29 eV, -2.60 eV, respectively. The bond length and electronic properties were analyzed. We found that the surface state density near the Fermi level was markedly diminished for 0.5 ML Cl, F and H adsorption on Se-terminated CIGS (1 1 2) surface at top sites. It was also found that H can more efficiently passivate the surface state density than Cl and F atoms, and the effect of adsorption of Cl atoms is better than that of F.

Critical Appraisal of Information on the Web in Practice: Undergraduate Students' Knowledge, Reported Use, and Behaviour

ERIC Educational Resources Information Center

Hogan, Neil; Varnhagen, Connie

2012-01-01

Undergraduates use a wide range of information resources for academic and nonacademic purposes, including web sites that range from credible, peer reviewed, online journal sites, to biased and inaccurate promotional web sites. Students are taught basic critical appraisal skills, but do they apply these skills to make decisions about information in…

Development of Hydrologic Characterization Methodology of Faults: Outline of the Project in Berkeley, California

NASA Astrophysics Data System (ADS)

Goto, J.; Miwa, T.; Tsuchi, H.; Karasaki, K.

2009-12-01

The Nuclear Waste Management Organization of Japan (NUMO), after volunteering municipalities arise, will start a three-staged program for selecting a HLW and TRU waste repository site. It is recognized from experiences from various site characterization programs in the world that the hydrologic property of faults is one of the most important parameters in the early stage of the program. It is expected that numerous faults of interest exist in an investigation area of several tens of square kilometers. It is, however, impossible to characterize all these faults in a limited time and budget. This raises problems in the repository designing and safety assessment that we may have to accept unrealistic or over conservative results by using a single model or parameters for all the faults in the area. We, therefore, seek to develop an efficient and practical methodology to characterize hydrologic property of faults. This project is a five year program started in 2007, and comprises the basic methodology development through literature study and its verification through field investigations. The literature study tries to classify faults by correlating their geological features with hydraulic property, to search for the most efficient technology for fault characterization, and to develop a work flow diagram. The field investigation starts from selection of a site and fault(s), followed by existing site data analyses, surface geophysics, geological mapping, trenching, water sampling, a series of borehole investigations and modeling/analyses. Based on the results of the field investigations, we plan to develop a systematic hydrologic characterization methodology of faults. A classification method that correlates combinations of geological features (rock type, fault displacement, fault type, position in a fault zone, fracture zone width, damage zone width) with widths of high permeability zones around a fault zone was proposed through a survey on available documents of the site characterization programs. The field investigation started in 2008, by selecting the Wildcat Fault that cut across the Laurence Berkeley National Laboratory (LBNL) site as the target. Analyses on site-specific data, surface geophysics, geological mapping and trenching have confirmed the approximate location and characteristics of the fault (see Session H48, Onishi, et al). The plan for the remaining years includes borehole investigations at LBNL, and another series of investigations in the northern part of the Wildcat Fault.

Electrophilic surface sites as precondition for the chemisorption of pyrrole on GaAs(001) surfaces

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

Bruhn, Thomas; Leibniz-Institut für Analytische Wissenschaften - ISAS - e.V., Albert-Einstein-Str.9, 12489 Berlin; Fimland, Bjørn-Ove

We report how the presence of electrophilic surface sites influences the adsorption mechanism of pyrrole on GaAs(001) surfaces. For this purpose, we have investigated the adsorption behavior of pyrrole on different GaAs(001) reconstructions with different stoichiometries and thus different surface chemistries. The interfaces were characterized by x-ray photoelectron spectroscopy, scanning tunneling microscopy, and by reflectance anisotropy spectroscopy in a spectral range between 1.5 and 5 eV. On the As-rich c(4 × 4) reconstruction that exhibits only nucleophilic surface sites, pyrrole was found to physisorb on the surface without any significant modification of the structural and electronic properties of the surface. Onmore » the Ga-rich GaAs(001)-(4 × 2)/(6 × 6) reconstructions which exhibit nucleophilic as well as electrophilic surface sites, pyrrole was found to form stable covalent bonds mainly to the electrophilic (charge deficient) Ga atoms of the surface. These results clearly demonstrate that the existence of electrophilic surface sites is a crucial precondition for the chemisorption of pyrrole on GaAs(001) surfaces.« less

7 CFR 1924.101 - Purpose.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Regulations of the Department of Agriculture (Continued) RURAL HOUSING SERVICE, RURAL BUSINESS-COOPERATIVE... CONSTRUCTION AND REPAIR Planning and Performing Site Development Work § 1924.101 Purpose. This subpart establishes the basic Rural Housing Service (RHS) policies for planning and performing site development work...

The Effect of Using an Educational Website in Achievement of Bachelor Students in the Course of Basic Concepts in Mathematics at Al al-Bayt University

ERIC Educational Resources Information Center

Qudah, Ahmad Hassan

2016-01-01

The study aimed to detect the effect of using an educational site on the Internet in the collection of bachelor's students in the course of basic concepts in mathematics at Al al-Bayt University, and the study sample consisted of all students in the course basic concepts in mathematics in the first semester of the academic year 2014/2015 and the…

Single Event Resolution of Plant Plasma Membrane Protein Endocytosis by TIRF Microscopy.

PubMed

Johnson, Alexander; Vert, Grégory

2017-01-01

Endocytosis is a key process in the internalization of extracellular materials and plasma membrane proteins, such as receptors and transporters, thereby controlling many aspects of cell signaling and cellular homeostasis. Endocytosis in plants has an essential role not only for basic cellular functions but also for growth and development, nutrient delivery, toxin avoidance, and pathogen defense. The precise mechanisms of endocytosis in plants remain quite elusive. The lack of direct visualization and examination of single events of endocytosis has greatly hampered our ability to precisely monitor the cell surface lifetime and the recruitment profile of proteins driving endocytosis or endocytosed cargos in plants. Here, we discuss the necessity to systematically implement total internal reflection fluorescence microcopy (TIRF) in the Plant Cell Biology community and present reliable protocols for high spatial and temporal imaging of endocytosis in plants using clathrin-mediated endocytosis as a test case, since it represents the major route for internalization of cell-surface proteins in plants. We developed a robust method to directly visualize cell surface proteins using TIRF microscopy combined to a high throughput, automated and unbiased analysis pipeline to determine the temporal recruitment profile of proteins to single sites of endocytosis, using the departure of clathrin as a physiological reference for scission. Using this 'departure assay', we assessed the recruitment of two different AP-2 subunits, alpha and mu, to the sites of endocytosis and found that AP2A1 was recruited in concert with clathrin, while AP2M was not. This validated approach therefore offers a powerful solution to better characterize the plant endocytic machinery and the dynamics of one's favorite cargo protein.

Structural Insights into the Regulation of Foreign Genes in Salmonella by the Hha/H-NS Complex*

PubMed Central

Ali, Sabrina S.; Whitney, John C.; Stevenson, James; Robinson, Howard; Howell, P. Lynne; Navarre, William Wiley

2013-01-01

The bacterial nucleoid-associated proteins Hha and H-NS jointly repress horizontally acquired genes in Salmonella, including essential virulence loci encoded within Salmonella pathogenicity islands. Hha is known to interact with the N-terminal dimerization domain of H-NS; however, the manner in which this interaction enhances transcriptional silencing is not understood. To further understand this process, we solved the x-ray crystal structure of Hha in complex with the N-terminal dimerization domain of H-NS (H-NS(1–46)) to 3.2 Å resolution. Two monomers of Hha bind to symmetrical sites on either side of the H-NS(1–46) dimer. Disruption of the Hha/H-NS interaction by the H-NS site-specific mutation I11A results in increased expression of the Hha/H-NS co-regulated gene hilA without affecting the expression levels of proV, a target gene repressed by H-NS in an Hha-independent fashion. Examination of the structure revealed a cluster of conserved basic amino acids that protrude from the surface of Hha on the opposite side of the Hha/H-NS(1–46) interface. Hha mutants with a diminished positively charged surface maintain the ability to interact with H-NS but can no longer regulate hilA. Increased expression of the hilA locus did not correspond to significant depletion of H-NS at the promoter region in chromatin immunoprecipitation assays. However, in vitro, we find Hha improves H-NS binding to target DNA fragments. Taken together, our results show for the first time how Hha and H-NS interact to direct transcriptional repression and reveal that a positively charged surface of Hha enhances the silencing activity of H-NS nucleoprotein filaments. PMID:23515315

[Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

PubMed

Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

2011-10-01

Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.

Dusty plasmas over the Moon: theory research in support of the upcoming lunar missions

NASA Astrophysics Data System (ADS)

Popel, Sergey; Zelenyi, Lev; Zakharov, Alexander; Izvekova, Yulia; Dolnikov, Gennady; Dubinskii, Andrey; Kopnin, Sergey; Golub, Anatoly

The future Russian lunar missions Luna 25 and Luna 27 are planned to be equipped with instruments for direct detection of nano- and microscale dust particles and determination of plasma properties over the surface of the Moon. Lunar dust over the Moon is usually considered as a part of a dusty plasma system. Here, we present the main our theory results concerning the lunar dusty plasmas. We start with the description of the observational data on dust particles on and over the surface of the Moon. We show that the size distribution of dust on the lunar surface is in a good agreement with the Kolmogorov distribution, which is the size distribution of particles in the case of multiple crushing. We discuss the role of adhesion which has been identified as a significant force in the dust particle launching process. We evaluate the adhesive force for lunar dust particles with taking into account the roughness and adsorbed molecular layers. We show that dust particle launching can be explained if the dust particles rise at a height of about dozens of nanometers owing to some processes. This is enough for the particles to acquire charges sufficient for the dominance of the electrostatic force over the gravitational and adhesive forces. The reasons for the separation of the dust particles from the surface of the Moon are, in particular, their heating by solar radiation and cooling. We consider migration of free protons in regolith from the viewpoint of the photoemission properties of the lunar soil. Finally, we develop a model of dusty plasma system over the Moon and show that it includes charged dust, photoelectrons, and electrons and ions of the solar wind. We determine the distributions of the photoelectrons and find the characteristics of the dust which rise over the lunar regolith. We show that there are no significant constraints on the Moon landing sites for future lunar missions that will study dusty plasmas in the surface layer of the Moon. We discuss also waves in dusty plasmas over the lunar surface. This work was supported by the Presidium of the Russian Academy of Sciences (basic research program no. 22 “Fundamental Problems of Research and Exploration of the Solar System”) and by the Russian Foundation for Basic Research (project 12-02-00270-a).

Competitive adsorption of copper(II), cadmium(II), lead(II) and zinc(II) onto basic oxygen furnace slag.

PubMed

Xue, Yongjie; Hou, Haobo; Zhu, Shujing

2009-02-15

Polluted and contaminated water can often contain more than one heavy metal species. It is possible that the behavior of a particular metal species in a solution system will be affected by the presence of other metals. In this study, we have investigated the adsorption of Cd(II), Cu(II), Pb(II), and Zn(II) onto basic oxygen furnace slag (BOF slag) in single- and multi-element solution systems as a function of pH and concentration, in a background solution of 0.01M NaNO(3). In adsorption edge experiments, the pH was varied from 2.0 to 13.0 with total metal concentration 0.84mM in the single element system and 0.21mM each of Cd(II), Cu(II), Pb(II), and Zn(II) in the multi-element system. The value of pH(50) (the pH at which 50% adsorption occurs) was found to follow the sequence Zn>Cu>Pb>Cd in single-element systems, but Pb>Cu>Zn>Cd in the multi-element system. Adsorption isotherms at pH 6.0 in the multi-element systems showed that there is competition among various metals for adsorption sites on BOF slag. The adsorption and potentiometric titrations data for various slag-metal systems were modeled using an extended constant-capacitance surface complexation model that assumed an ion-exchange process below pH 6.5 and the formation of inner-sphere surface complexes at higher pH. Inner-sphere complexation was more dominant for the Cu(II), Pb(II) and Zn(II) systems.

Probing the Active Surface Sites for CO Reduction on Oxide-Derived Copper Electrocatalysts

DOE PAGES

Verdaguer-Casadevall, Arnau; Li, Christina W.; Johansson, Tobias P.; ...

2015-07-30

CO electroreduction activity on oxide-derived Cu (OD-Cu) was found to correlate with metastable surface features that bind CO strongly. OD-Cu electrodes prepared by H 2 reduction of Cu 2O precursors reduce CO to acetate and ethanol with nearly 50% Faradaic efficiency at moderate overpotential. Temperature-programmed desorption of CO on OD-Cu revealed the presence of surface sites with strong CO binding that are distinct from the terraces and stepped sites found on polycrystalline Cu foil. After annealing at 350 °C, the surface-area corrected current density for CO reduction is 44-fold lower and the Faradaic efficiency is less than 5%. These changesmore » are accompanied by a reduction in the proportion of strong CO binding sites. Here, we propose that the active sites for CO reduction on OD-Cu surfaces are strong CO binding sites that are supported by grain boundaries. Uncovering these sites is a first step toward understanding the surface chemistry necessary for efficient CO electroreduction.« less

Landscape genetics of high mountain frog metapopulations

USGS Publications Warehouse

Murphy, M.A.; Dezzani, R.; Pilliod, D.S.; Storfer, A.

2010-01-01

Explaining functional connectivity among occupied habitats is crucial for understanding metapopulation dynamics and species ecology. Landscape genetics has primarily focused on elucidating how ecological features between observations influence gene flow. Functional connectivity, however, may be the result of both these between-site (landscape resistance) landscape characteristics and at-site (patch quality) landscape processes that can be captured using network based models. We test hypotheses of functional connectivity that include both between-site and at-site landscape processes in metapopulations of Columbia spotted frogs (Rana luteiventris) by employing a novel justification of gravity models for landscape genetics (eight microsatellite loci, 37 sites, n = 441). Primarily used in transportation and economic geography, gravity models are a unique approach as flow (e.g. gene flow) is explained as a function of three basic components: distance between sites, production/attraction (e.g. at-site landscape process) and resistance (e.g. between-site landscape process). The study system contains a network of nutrient poor high mountain lakes where we hypothesized a short growing season and complex topography between sites limit R. luteiventris gene flow. In addition, we hypothesized production of offspring is limited by breeding site characteristics such as the introduction of predatory fish and inherent site productivity. We found that R. luteiventris connectivity was negatively correlated with distance between sites, presence of predatory fish (at-site) and topographic complexity (between-site). Conversely, site productivity (as measured by heat load index, at-site) and growing season (as measured by frost-free period between-sites) were positively correlated with gene flow. The negative effect of predation and positive effect of site productivity, in concert with bottleneck tests, support the presence of source-sink dynamics. In conclusion, gravity models provide a powerful new modelling approach for examining a wide range of both basic and applied questions in landscape genetics.

Chapter 4. Basic considerations for range and wildland revegetation and restoration

Treesearch

Richard Stevens

2004-01-01

Plummer and others (1968) proposed 10 principles to follow when planning and implementing rangeland revegetation programs. These principles - or basic considerations for rangeland managers - are applicable to most sites in the Western United States (Jordan 1981; Merkel and Herbal 1973), and many projects in the Intermountain area have been conducted successfully by...

Taking the School to the Child: An Experiment by Ruchika School Service Wing.

ERIC Educational Resources Information Center

Khurana, Inderjit

1992-01-01

Describes a basic literacy project targeting deprived children in Bhubaneswar, Orissa, India. Considers such program features as the use of 35 slum and public utility centers as sites for teaching basic skills, nutrition, and hygiene; flexible schedules including morning classes for slum children and afternoon and evening classes for working…

Binding of uridine 5'-diphosphate in the "basic patch" of the zinc deacetylase LpxC and implications for substrate binding.

PubMed

Gennadios, Heather A; Christianson, David W

2006-12-26

LpxC is a zinc metalloenzyme that catalyzes the first committed step in the biosynthesis of lipid A, a vital component of the outer membrane of Gram-negative bacteria. Accordingly, the inhibition of LpxC is an attractive strategy for the treatment of Gram-negative bacterial infections. Here, we report the 2.7 A resolution X-ray crystal structure of LpxC from Aquifex aeolicus complexed with uridine 5'-diphosphate (UDP), and the 3.1 A resolution structure of LpxC complexed with pyrophosphate. The X-ray crystal structure of the LpxC-UDP complex provides the first view of interactions likely to be exploited by the substrate UDP group in the "basic patch" of the active site. The diphosphate group of UDP makes hydrogen bond interactions with strictly conserved residue K239 as well as solvent molecules. The ribose moiety of UDP interacts with partially conserved residue E197. The UDP uracil group hydrogen bonds with both the backbone NH group and the backbone carbonyl group of E160, and with the backbone NH group of K162 through an intervening water molecule. Finally, the alpha-phosphate and uracil groups of UDP interact with R143 and R262 through intervening water molecules. The structure of LpxC complexed with pyrophosphate reveals generally similar intermolecular interactions in the basic patch. Unexpectedly, diphosphate binding in both complexes is accompanied by coordination to an additional zinc ion, resulting in the identification of a new metal-binding site termed the E-site. The structures of the LpxC-UDP and LpxC-pyrophosphate complexes provide new insights with regard to substrate recognition in the basic patch and metal ion coordination in the active site of LpxC.

Community Involvement as an Effective Institutional Control at the Weldon Spring Site, a U.S. Department of Energy Office of Legacy Management Site

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

Deyo, Y.E.; Pauling, T.

2006-07-01

The U.S. Department of Energy (DOE) Weldon Spring Site Remedial Action Project (WSSRAP) was conducted for the purpose of remediating a portion of a former trinitrotoluene and dinitrotoluene production plant that was operational from 1941 to 1945 and a former uranium refinery that was operational from 1957 to 1966. Surface remediation activities concluded in 2001 with the completion of a 45-acre (.18 square kilometer) on-site engineered disposal facility. Long-term surveillance and maintenance activities at the site were officially transferred to the DOE Office of Legacy Management in 2003. The Weldon Spring Site is located within the St. Louis, Missouri, metropolitanmore » area (population 3 million). DOE's close relationship with surrounding land owners created a need for innovative solutions to long-term surveillance and maintenance issues at the site. Through a Secretarial proclamation, a plan was established for development of a comprehensive public involvement and education program. This program would act as an institutional control to communicate the historical legacy of the site and would make information available about contamination present at the site to guide people in making decisions about appropriate site activities. In August 2002, the Weldon Spring Site Interpretive Center opened to the public with exhibits about the history of the area, the remediation work that was completed, and a site information repository that is available to visitors. In addition, the Hamburg Trail for hiking and biking was constructed as a joint DOE/MDC effort. The 8-mile trail travels through both DOE and MDC property; a series of historical markers posted along its length to communicate the history of the area and the remediation work that was done as part of WSSRAP activities. A ramp and viewing platform with informational plaques were constructed on the disposal cell to provide an additional mechanism for public education. With a basic marketing program, site visitor-ship has been steadily increasing. In 2005, approximately 15,400 visitors were associated with Interpretive Center operations and outreach activities. Science-oriented educational programs that directly relate to past remediation activities and present long-term surveillance and maintenance issues have been developed and are presented to St. Louis area school groups and other community-based organizations. Other innovative programs have been developed to address daily maintenance issues at the site and to promote beneficial community re-use of the property. Approximately 30,000 square feet of the former Administration Building has been transferred through a use-permit to Lindenwood University, a local institution with a total enrollment of about 12,000 students. Lindenwood is establishing a satellite college campus in the building in exchange for providing basic maintenance and payment of utilities for both the Administration Building and Interpretive Center. A volunteer program developed to address maintenance of the native plant gardens that surround the Interpretive Center has a current enrollment of approximately 25 volunteers. Another volunteer group of prairie ecosystem experts has been meeting regularly for the last 3 years to assist the site in long-term management of the established prairie surrounding the disposal cell. Public support of these community involvement activities at the site is strong. DOE has worked closely with the Weldon Spring Citizens Commission in developing the concepts for this approach and the Commission has helped promote these activities within the community. It is expected that continued public education in this manner will only serve to strengthen the institutional control commitments at the Weldon Spring Site. (authors)« less

Unifying theoretical framework for deciphering the oxygen reduction reaction on platinum.

PubMed

Huang, Jun; Zhang, Jianbo; Eikerling, Michael

2018-05-07

Rapid conversion of oxygen into water is crucial to the operation of polymer electrolyte fuel cells and other emerging electrochemical energy technologies. Chemisorbed oxygen species play double-edged roles in this reaction, acting as vital intermediates on one hand and site-blockers on the other. Any attempt to decipher the oxygen reduction reaction (ORR) must first relate the formation of oxygen intermediates to basic electronic and electrostatic properties of the catalytic surface, and then link it to parameters of catalyst activity. An approach that accomplishes this feat will be of great utility for catalyst materials development and predictive model formulation of electrode operation. Here, we present a theoretical framework for the multiple interrelated surface phenomena and processes involved, particularly, by incorporating the double-layer effects. It sheds light on the roles of oxygen intermediates and gives out the Tafel slope and exchange current density as continuous functions of electrode potential. Moreover, it develops the concept of a rate determining term, which should replace the concept of a rate determining step for multielectron reactions, and offers a new perspective on the volcano relation of the ORR.

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

NASA Astrophysics Data System (ADS)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Modeling Episodic Surface Runoff in an Arid Environment

NASA Astrophysics Data System (ADS)

Waichler, S. R.; Wigmosta, M. S.

2003-12-01

Methods were developed for estimating episodic surface runoff in arid eastern Washington, USA. Small (1--10 km2) catchments in this region with mean annual precipitation around 180 mm produce runoff in about half the years, and such events usually occur during winter when a widespread cold snap and possible snow accumulation is followed by warmer temperatures and rainfall. Existence of frozen soil appears to be a key factor, and a moving average of air temperature is an effective predictor of soil temperature. The watershed model DHSVM simulates snow accumulation and ablation reasonably well at a monitoring location, but the same model applied in distributed mode across a 850 km2 basin overpredicts runoff. Inadequate definition of local meteorology appears to limit the accuracy of runoff predictions. However, runoff estimates of sufficient quality to support modeling of long-term groundwater recharge and sediment transport may be found in focusing on recurrence intervals and volumes rather than hydrographs. Usefulness of upland watershed modeling to environmental management of the Hanford Site and an adjacent military reservation will likely improve through sensitivity analysis of basic assumptions about upland water balance.

CO2 sorption on surface-modified carbonaceous support: Probing the influence of the carbon black microporosity and surface polarity

NASA Astrophysics Data System (ADS)

Gargiulo, Valentina; Alfè, Michela; Ammendola, Paola; Raganati, Federica; Chirone, Riccardo

2016-01-01

The use of solid sorbents is a convenient option in post-combustion CO2 capture strategies. Sorbents selection is a key point because the materials are required to be both low-cost and versatile in typical post-combustion conditions in order to guarantee an economically advantageous overall process. This work compares strategies to tailor the chemico-physical features of carbon black (CB) by surface-modification and/or coating with a CO2-sorbent phase. The influence of the CB microporosity, enhanced by chemical/thermal treatments, is also taken into account. Three CB surface modifications are performed and compared: (i) oxidation and functionalization with amino-groups, (ii) coating with iron oxides and (iii) impregnation with an ionic liquid (IL). The CO2 capture performance is evaluated on the basis of the breakthrough curves measured at atmospheric pressure and room temperature in a lab-scale fixed bed micro-reactor. Most of tested solids adsorb a CO2 amount significantly higher than a 13X zeolite and DARCO FGD (Norit) activated carbon (up to 4 times more in the best case). The sorbents bearing basic functionalities (amino-groups and IL) exhibit the highest CO2 sorption capacity. The use of a microporous carbonaceous support limits the accessibility of CO2 toward the adsorbing phase (IL or FM) lowering the number of accessible binding sites for CO2.

Ripples or Dunes?

NASA Technical Reports Server (NTRS)

2004-01-01

This approximate true-color image taken by the Mars Exploration Rover Spirit's panoramic camera shows the windblown waves of soil that characterize the rocky surface of Gusev Crater, Mars. Scientists were puzzled about whether these geologic features were 'ripples' or 'dunes.' Ripples are shaped by gentle winds that deposit coarse grains on the tops or crests of the waves. Dunes are carved by faster winds and contain a more uniform distribution of material. Images taken of these features by the rover's microscopic imager on the 41st martian sol, or day, of the rover's mission revealed their identity to be ripples. This information helps scientists better understand the winds that shape the landscape of Mars. This image was taken early in Spirit's mission.

[figure removed for brevity, see original site] Click on image for larger view [Image credit: NASA/JPL/ASU]

This diagram illustrates how windblown sediments travel. There are three basic types of particles that undergo different motions depending on their size. These particles are dust, sand and coarse sand, and their sizes approximate flour, sugar, and ball bearings, respectively. Sand particles move along the 'saltation' path, hitting the surface downwind. When the sand hits the surface, it sends dust into the atmosphere and gives coarse sand a little shove. Mars Exploration Rover scientists are studying the distribution of material on the surface of Mars to better understand how winds shaped the landscape.

Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells.

PubMed

Kramm, Ulrike I; Herranz, Juan; Larouche, Nicholas; Arruda, Thomas M; Lefèvre, Michel; Jaouen, Frédéric; Bogdanoff, Peter; Fiechter, Sebastian; Abs-Wurmbach, Irmgard; Mukerjee, Sanjeev; Dodelet, Jean-Pol

2012-09-07

Fe-based catalytic sites for the reduction of oxygen in acidic medium have been identified by (57)Fe Mössbauer spectroscopy of Fe/N/C catalysts containing 0.03 to 1.55 wt% Fe, which were prepared by impregnation of iron acetate on carbon black followed by heat-treatment in NH(3) at 950 °C. Four different Fe-species were detected at all iron concentrations: three doublets assigned to molecular FeN(4)-like sites with their ferrous ions in a low (D1), intermediate (D2) or high (D3) spin state, and two other doublets assigned to a single Fe-species (D4 and D5) consisting of surface oxidized nitride nanoparticles (Fe(x)N, with x≤ 2.1). A fifth Fe-species appears only in those catalysts with Fe-contents ≥0.27 wt%. It is characterized by a very broad singlet, which has been assigned to incomplete FeN(4)-like sites that quickly dissolve in contact with an acid. Among the five Fe-species identified in these catalysts, only D1 and D3 display catalytic activity for the oxygen reduction reaction (ORR) in the acid medium, with D3 featuring a composite structure with a protonated neighbour basic nitrogen and being by far the most active species, with an estimated turn over frequency for the ORR of 11.4 e(-) per site per s at 0.8 V vs. RHE. Moreover, all D1 sites and between 1/2 and 2/3 of the D3 sites are acid-resistant. A scheme for the mechanism of site formation upon heat-treatment is also proposed. This identification of the ORR-active sites in these catalysts is of crucial importance to design strategies to improve the catalytic activity and stability of these materials.

The Focal Surface of the JEM-EUSO Telescope

NASA Technical Reports Server (NTRS)

Kawasaki, Yoshiya

2007-01-01

Extreme Universe Space Observatory onboard JEM/EP (JEM-EUSO) is a space mission to study extremely high-energy cosmic rays. The JEM-EUSO instrument is a wide-angle refractive telescope in near-ultraviolet wavelength region to observe time-resolved atmospheric fluorescence images of the extensive air showers from the International Space Station. The focal surface is a spherical curved surface, and its area amounts to about 4.5 square m. The focal surface detector is covered with about 6,000 multi-anode photomultipliers (MAPMTs). The focal surface detector consists of Photo-Detector-Modules, each of which consists of 9 Elementary Cells (ECs). The EC contains 4 units of the MAPMTs. Therefore, about 1,500 ECs or about 160 PDMS are arranged on the whole of the focal surface of JEM- EUSO. The EC is a basic unit of the front-end electronics. The PDM is a, basic unit of the data acquisition system

Adsorption of basic Red 46 using sea mango (Cerbera odollam) based activated carbon

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

Azmi, Nur Azira Iqlima; Zainudin, Nor Fauziah; Ali, Umi Fazara Md

Sea mango or Cerbera Odollam is another source of carbonaceous material that can be found abundantly in Malaysia. In this research, it is used as a new agricultural source of activated carbon. Sea mango activated carbon was prepared by chemical activation using potassium hydroxide (KOH). The sea mango was soaked in KOH at impregnation ratio of 1:1 and followed by carbonization at temperature of 600°C for 1 hour. The sample was then characterized using Scanning Electron Microscope (SEM) for surface morphology, while Brunauer-Emmett-Teller (BET) was used to study the surface area. The result shown that sea mango activated carbon (SMAC)more » developed new pores on its surface and the BET surface area measured was 451.87 m{sup 2}/g. The SMAC performance was then tested for the removal of Basic Red 46 in batch process. The removal of Basic Red 46 (50 mg/L, natural pH, 0.1 g SMAC) was more than 99% in 15 minutes where it reached equilibrium in 30 minutes.« less

MNA TO ACHIEVE SITE OBJECTIVES: BACK TO BASICS

EPA Science Inventory

The U.S. EPA recognizes a three-tiered approach to evaluate site specific data in support of monitored natural attenuation (1) historical groundwater and/or soil chemistry data that demonstrate a clean and meaningful trend of decreasing contaminant mass and/or concentration over ...

Global Proteome Analyses of Lysine Acetylation and Succinylation Reveal the Widespread Involvement of both Modification in Metabolism in the Embryo of Germinating Rice Seed.

PubMed

He, Dongli; Wang, Qiong; Li, Ming; Damaris, Rebecca Njeri; Yi, Xingling; Cheng, Zhongyi; Yang, Pingfang

2016-03-04

Regulation of rice seed germination has been shown to mainly occur at post-transcriptional levels, of which the changes on proteome status is a major one. Lysine acetylation and succinylation are two prevalent protein post-translational modifications (PTMs) involved in multiple biological processes, especially for metabolism regulation. To investigate the potential mechanism controlling metabolism regulation in rice seed germination, we performed the lysine acetylation and succinylation analyses simultaneously. Using high-accuracy nano-LC-MS/MS in combination with the enrichment of lysine acetylated or succinylated peptides from digested embryonic proteins of 24 h after imbibition (HAI) rice seed, a total of 699 acetylated sites from 389 proteins and 665 succinylated sites from 261 proteins were identified. Among these modified lysine sites, 133 sites on 78 proteins were commonly modified by two PTMs. The overlapped PTM sites were more likely to be in polar acidic/basic amino acid regions and exposed on the protein surface. Both of the acetylated and succinylated proteins cover nearly all aspects of cellular functions. Ribosome complex and glycolysis/gluconeogenesis-related proteins were significantly enriched in both acetylated and succinylated protein profiles through KEGG enrichment and protein-protein interaction network analyses. The acetyl-CoA and succinyl-CoA metabolism-related enzymes were found to be extensively modified by both modifications, implying the functional interaction between the two PTMs. This study provides a rich resource to examine the modulation of the two PTMs on the metabolism pathway and other biological processes in germinating rice seed.

Dehydration of 1-octadecanol over H-BEA: A combined experimental and computational study

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

Song, Wenji; Liu, Yuanshuai; Barath, Eszter

Liquid phase dehydration of 1-octdecanol, which is intermediately formed during the hydrodeoxygenation of microalgae oil, has been explored in a combined experimental and computational study. The alkyl chain of C18 alcohol interacts with acid sites during diffusion inside the zeolite pores, resulting in an inefficient utilization of the Brønsted acid sites for samples with high acid site concentrations. The parallel intra- and inter- molecular dehydration pathways having different activation energies pass through alternative reaction intermediates. Formation of surface-bound alkoxide species is the rate-limiting step during intramolecular dehydration, whereas intermolecular dehydration proceeds via a bulky dimer intermediate. Octadecene is the primarymore » dehydration product over H-BEA at 533 K. Despite of the main contribution of Brønsted acid sites towards both dehydration pathways, Lewis acid sites are also active in the formation of dioctadecyl ether. The intramolecular dehydration to octadecene and cleavage of the intermediately formed ether, however, require strong BAS. L. Wang, D. Mei and J. A. Lercher, acknowledge the partial support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE’s Office of Biological and Environmental Research.« less

Geological and technological assessment of artificial reef sites, Louisiana outer continental shelf

USGS Publications Warehouse

Pope, D.L.; Moslow, T.F.; Wagner, J.B.

1993-01-01

This paper describes the general procedures used to select sites for obsolete oil and gas platforms as artificial reefs on the Louisiana outer continental shelf (OCS). The methods employed incorporate six basic steps designed to resolve multiple-use conflicts that might otherwise arise with daily industry and commercial fishery operations, and to identify and assess both geological and technological constraints that could affect placement of the structures. These steps include: (1) exclusion mapping; (2) establishment of artificial reef planning areas; (3) database compilation; (4) assessment and interpretation of database; (5) mapping of geological and man-made features within each proposed reef site; and (6) site selection. Nautical charts, bathymetric maps, and offshore oil and gas maps were used for exclusion mapping, and to select nine regional planning areas. Pipeline maps were acquired from federal agencies and private industry to determine their general locations within each planning area, and to establish exclusion fairways along each pipeline route. Approximately 1600 line kilometers of high-resolution geophysical data collected by federal agencies and private industry was acquired for the nine planning areas. These data were interpreted to determine the nature and extent of near-surface geologic features that could affect placement of the structures. Seismic reflection patterns were also characterized to evaluate near-bottom sedimentation processes in the vicinity of each reef site. Geotechnical borings were used to determine the lithological and physical properties of the sediment, and for correlation with the geophysical data. Since 1987, five sites containing 10 obsolete production platforms have been selected on the Louisiana OCS using these procedures. Industry participants have realized a total savings of approximately US $1 500 000 in salvaging costs by converting these structures into artificial reefs. ?? 1993.

Tuning the reactivity of semiconductor surfaces by functionalization with amines of different basicity

PubMed Central

Bent, Stacey F.; Kachian, Jessica S.; Rodríguez-Reyes, Juan Carlos F.; Teplyakov, Andrew V.

2011-01-01

Surface functionalization of semiconductors has been the backbone of the newest developments in microelectronics, energy conversion, sensing device design, and many other fields of science and technology. Over a decade ago, the notion of viewing the surface itself as a chemical reagent in surface reactions was introduced, and adding a variety of new functionalities to the semiconductor surface has become a target of research for many groups. The electronic effects on the substrate have been considered as an important consequence of chemical modification. In this work, we shift the focus to the electronic properties of the functional groups attached to the surface and their role on subsequent reactivity. We investigate surface functionalization of clean Si(100)-2 × 1 and Ge(100)-2 × 1 surfaces with amines as a way to modify their reactivity and to fine tune this reactivity by considering the basicity of the attached functionality. The reactivity of silicon and germanium surfaces modified with ethylamine (CH3CH2NH2) and aniline (C6H5NH2) is predicted using density functional theory calculations of proton attachment to the nitrogen of the adsorbed amine to differ with respect to a nucleophilic attack of the surface species. These predictions are then tested using a model metalorganic reagent, tetrakis(dimethylamido)titanium (((CH3)2N)4Ti, TDMAT), which undergoes a transamination reaction with sufficiently nucleophilic amines, and the reactivity tests confirm trends consistent with predicted basicities. The identity of the underlying semiconductor surface has a profound effect on the outcome of this reaction, and results comparing silicon and germanium are discussed. PMID:21068370

Grain boundaries at the surface of consolidated MgO nanocrystals and acid-base functionality.

PubMed

Vingurt, Dima; Fuks, David; Landau, Miron V; Vidruk, Roxana; Herskowitz, Moti

2013-09-21

The increase of the surface basicity-acidity of MgO material by factors of 1.8-3.0 due to consolidation of its nanocrystals was demonstrated by the indicator titration. It was shown that the parallel increase of surface acidity and basicity is attributed to the formation of grain boundaries (GB) after MgO aerogel densification. A simple model predicting the increase of surface acidity-basicity of MgO that correlates with the results of direct measurements was proposed. The model is based on the study of the fine atomic structure at GB surface areas in consolidated MgO nanocrystals in the framework of Density Functional Theory. It is found that the displacements of coordinatively unsaturated surface ions near the GB are significant at the distances ~3-4 atomic layers from the geometrical contact plane between nanocrystals. The detailed analysis of atomic positions inside GB demonstrated the coordination deficiency of surface atoms at the GB areas leading to the formation of stretched bonds and to creation of low coordinated surface ions due to splitting of coordination numbers of surface atoms belonging to GB areas. Density of states for electrons shows the existence of additional states in the band gap close to the bottom of the conduction band. The adsorption energy of CO2 molecules atop oxygen atoms exposed at surface GB areas is of the same order of magnitude as that reported for oxygen atoms at crystallographic edges and corners of MgO crystals. It provides additional options for bonding of molecules at the surface of nanocrystalline MgO increasing the adsorption capacity and catalytic activity.

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry

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

Goverapet Srinivasan, Sriram; Shivaramaiah, Radha; Kent, Paul R. C.

Bastnäsite, a fluoro-carbonate mineral, is the single largest mineral source of light rare earth elements (REE), La, Ce and Nd. Enhancing the efficiency of separation of the mineral from gangue through froth flotation is the first step towards meeting an ever increasing demand for REE. To design and evaluate collector molecules that selectively bind to bastnäsite, a fundamental understanding of the structure and surface properties of bastnäsite is essential. In our earlier work (J Phys Chem C, 2016, 120, 16767), we carried out an extensive study of the structure, surface stability and water adsorption energies of La-bastnäsite. Here in thismore » work, we make a comparative study of the surface properties of Ce-bastnäsite, La-bastnäsite, and calcite using a combination of density functional theory (DFT) and water adsorption calorimetry. Spin polarized DFT+U calculations show that the exchange interaction between the electrons in Ce 4f orbitals is negligible and that these orbitals do not participate in bonding with the oxygen atom of the adsorbed water molecule. In agreement with calorimetry, DFT calculations predict larger surface energies and stronger water adsorption energies on Ce-bastnäsite than on La-bastnäsite. The order of stabilities for stoichiometric surfaces is as follows: [100] > [101] > [102] > [0001] > [112] > [104] and the most favorable adsorption sites for water molecules are the same as for La-bastnäsite. In agreement with water adsorption calorimetry, at low coverage water molecules are strongly stabilized via coordination to the surface Ce3+ ions, whereas at higher coverage they are adsorbed less strongly via hydrogen bonding interaction with the surface anions. Lastly, due to similar water adsorption energies on bastnäsite [101] and calcite [104] surfaces, the design of collector molecules that selectively bind to bastnäsite over calcite must exploit the structural differences in the predominantly exposed facets of these minerals.« less

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry

DOE PAGES

Goverapet Srinivasan, Sriram; Shivaramaiah, Radha; Kent, Paul R. C.; ...

2017-02-24

Bastnäsite, a fluoro-carbonate mineral, is the single largest mineral source of light rare earth elements (REE), La, Ce and Nd. Enhancing the efficiency of separation of the mineral from gangue through froth flotation is the first step towards meeting an ever increasing demand for REE. To design and evaluate collector molecules that selectively bind to bastnäsite, a fundamental understanding of the structure and surface properties of bastnäsite is essential. In our earlier work (J Phys Chem C, 2016, 120, 16767), we carried out an extensive study of the structure, surface stability and water adsorption energies of La-bastnäsite. Here in thismore » work, we make a comparative study of the surface properties of Ce-bastnäsite, La-bastnäsite, and calcite using a combination of density functional theory (DFT) and water adsorption calorimetry. Spin polarized DFT+U calculations show that the exchange interaction between the electrons in Ce 4f orbitals is negligible and that these orbitals do not participate in bonding with the oxygen atom of the adsorbed water molecule. In agreement with calorimetry, DFT calculations predict larger surface energies and stronger water adsorption energies on Ce-bastnäsite than on La-bastnäsite. The order of stabilities for stoichiometric surfaces is as follows: [100] > [101] > [102] > [0001] > [112] > [104] and the most favorable adsorption sites for water molecules are the same as for La-bastnäsite. In agreement with water adsorption calorimetry, at low coverage water molecules are strongly stabilized via coordination to the surface Ce3+ ions, whereas at higher coverage they are adsorbed less strongly via hydrogen bonding interaction with the surface anions. Lastly, due to similar water adsorption energies on bastnäsite [101] and calcite [104] surfaces, the design of collector molecules that selectively bind to bastnäsite over calcite must exploit the structural differences in the predominantly exposed facets of these minerals.« less

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry.

PubMed

Goverapet Srinivasan, Sriram; Shivaramaiah, Radha; Kent, Paul R C; Stack, Andrew G; Riman, Richard; Anderko, Andre; Navrotsky, Alexandra; Bryantsev, Vyacheslav S

2017-03-15

Bastnäsite, a fluoro-carbonate mineral, is the single largest mineral source of light rare earth elements (REE), La, Ce and Nd. Enhancing the efficiency of separation of the mineral from gangue through froth flotation is the first step towards meeting an ever increasing demand for REE. To design and evaluate collector molecules that selectively bind to bastnäsite, a fundamental understanding of the structure and surface properties of bastnäsite is essential. In our earlier work (J. Phys. Chem. C, 2016, 120, 16767), we carried out an extensive study of the structure, surface stability and water adsorption energies of La-bastnäsite. In this work, we make a comparative study of the surface properties of Ce-bastnäsite, La-bastnäsite, and calcite using a combination of density functional theory (DFT) and water adsorption calorimetry. Spin polarized DFT+U calculations show that the exchange interaction between the electrons in Ce 4f orbitals is negligible and that these orbitals do not participate in bonding with the oxygen atom of the adsorbed water molecule. In agreement with calorimetry, DFT calculations predict larger surface energies and stronger water adsorption energies on Ce-bastnäsite than on La-bastnäsite. The order of stabilities for stoichiometric surfaces is as follows: [101[combining macron]0] > [101[combining macron]1] > [101[combining macron]2] > [0001] > [112[combining macron]2] > [101[combining macron]4] and the most favorable adsorption sites for water molecules are the same as for La-bastnäsite. In agreement with water adsorption calorimetry, at low coverage water molecules are strongly stabilized via coordination to the surface Ce 3+ ions, whereas at higher coverage they are adsorbed less strongly via hydrogen bonding interaction with the surface anions. Due to similar water adsorption energies on bastnäsite [101[combining macron]1] and calcite [101[combining macron]4] surfaces, the design of collector molecules that selectively bind to bastnäsite over calcite must exploit the structural differences in the predominantly exposed facets of these minerals.

Stability of choice in the honey bee nest-site selection process.

PubMed

Nevai, Andrew L; Passino, Kevin M; Srinivasan, Parthasarathy

2010-03-07

We introduce a pair of compartment models for the honey bee nest-site selection process that lend themselves to analytic methods. The first model represents a swarm of bees deciding whether a site is viable, and the second characterizes its ability to select between two viable sites. We find that the one-site assessment process has two equilibrium states: a disinterested equilibrium (DE) in which the bees show no interest in the site and an interested equilibrium (IE) in which bees show interest. In analogy with epidemic models, we define basic and absolute recruitment numbers (R(0) and B(0)) as measures of the swarm's sensitivity to dancing by a single bee. If R(0) is less than one then the DE is locally stable, and if B(0) is less than one then it is globally stable. If R(0) is greater than one then the DE is unstable and the IE is stable under realistic conditions. In addition, there exists a critical site quality threshold Q(*) above which the site can attract some interest (at equilibrium) and below which it cannot. We also find the existence of a second critical site quality threshold Q(**) above which the site can attract a quorum (at equilibrium) and below which it cannot. The two-site discrimination process, in which we examine a swarm's ability to simultaneously consider two sites differing in both site quality and discovery time, has a stable DE if and only if both sites' individual basic recruitment numbers are less than one. Numerical experiments are performed to study the influences of site quality on quorum time and the outcome of competition between a lower quality site discovered first and a higher quality site discovered second. 2009 Elsevier Ltd. All rights reserved.

Electroreduction of carbon monoxide over a copper nanocube catalyst: Surface structure and pH dependence on selectivity

DOE PAGES

Roberts, F. Sloan; Kuhl, Kendra P.; Nilsson, Anders

2016-02-16

The activity and selectivity for CO 2/CO reduction over copper electrodes is strongly dependent on the local surface structure of the catalyst and the pH of the electrolyte. Here we investigate a unique, copper nanocube surface (CuCube) as a CO reduction electrode under neutral and basic pH, using online electrochemical mass spectroscopy (OLEMS) to determine the onset potentials and relative intensities of methane and ethylene production. To relate the unique selectivity to the surface structure, the CuCube surface reactivity is compared to polycrystalline copper and three single crystals under the same reaction conditions. Here, we find that the high selectivitymore » for ethylene over the CuCube surface is most comparable to the Cu(100) surface, which has the cubic unit cell. However, the suppression of methane production over CuCube is unique to that particular surface. Basic pH is also shown to enhance ethylene selectivity on all surfaces, again with the CuCube surface being unique.« less

SITEQUAL v2.0—a Fortran program to determine bottomland hardwood site quality

Treesearch

Don C. Bragg

2017-01-01

SITEQUAL is a computerized expert system that uses a number of easily determined soil conditions associated with physical structure, available moisture, available nutrients, and aeration to estimate site index for 14 southern hardwood species. The original program was written in the Basic language by Harrington and Casson (1986) based on the field methods for site...

Meteorological data for four sites at surface-disruption features in Yucca Flat, Nevada Test Site, Nye County, Nevada, 1985-86

USGS Publications Warehouse

Carman, Rita L.

1994-01-01

Surface-disruption features, or craters, resulting from underground nuclear testing at the Nevada Test Site may increase the potential for ground-water recharge in an area that would normally produce little, if any, recharge. This report presents selected meteorological data resulting from a study of two surface-disruption features during May 1985 through June 1986. The data were collected at four adjacent sites in Yucca Flat, about 56 kilometers north of Mercury, Nevada. Three sites (one in each of two craters and one at an undisturbed site at the original land surface) were instrumented to collect meteorological data for calculating bare-soil evaporation. These data include (1) long-wave radiation, (2) short-wave radiation, (3) net radiation, (4) air temperae, and (5) soil surface temperature. Meteorological data also were collected at a weather station at an undisturbed site near the study craters. Data collected at this site include (1) air temperature, (2) relative humidity, (3) wind velocity, and (4) wind direction.

Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels.

PubMed

Kim, Hyun-Chul; Huh, Seong; Lee, Do Nam; Kim, Youngmee

2018-04-03

Lewis basic heteroatoms orderly located inside the well-defined channels of metal-organic frameworks (MOFs) are potentially ideal active sites for selective gas sorption and catalysis. To develop functional MOFs with Lewis basic sites inside channels, a new C2h-symmetric dicarboxylate-based bridging ligand, 3,3'-(pyrazine-2,5-diyl)dibenzoic acid (3,3'-PDBA), was prepared by a Suzuki coupling reaction. Subsequently, two new Zn-MOFs containing the C2h-symmetric 3,3'-PDBA bridging ligand and two different bis(pyridyl)-based pillars, 1,2-bis(4-pyridyl)ethane (bpa) or 1,2-bis(4-pyridyl)ethylene (bpe), were prepared through a thermal reaction in N,N-dimethylformamide (DMF). The resulting two Zn-MOFs of the general formula of three-dimensional (3D) [Zn2(μ4-3,3'-PDBA)2(μ2-bpa)]3·(DMF)5(H2O)13 (1) or 3D-like 2D [Zn2(μ4-3,3'-PDBA)2(μ2-bpe)]·(H2O) (2) displayed primitive cubic pcu net and 2D sql net, respectively. Both Zn-MOFs 1 and 2 contain uncoordinated Lewis basic pyrazinyl nitrogen atoms in the frameworks. The solvent-free 1 with flexible bpa linkers only showed a potential porosity of 15.9% by PLATON analysis. Zn-MOF 1 with openly accessible Lewis basic sites exhibited selective sorption of CO2 over N2, H2, and CH4 at low temperature. The adsorption and desorption isotherms for CO2 sorption at 196 K showed phenomenal hysteretic behaviour indicative of a breathing process through an adsorbate-discriminatory gate-opening process toward CO2 at a low gas pressure.

Potential role of fibroblast growth factor in enhancement of fracture healing.

PubMed

Radomsky, M L; Thompson, A Y; Spiro, R C; Poser, J W

1998-10-01

Fibroblast growth factors are present in significant amounts in bone and several studies have suggested that they may be involved in normal fracture healing. It is well established that fibroblast growth factors have mitogenic and angiogenic activity on mesoderm and neuroectoderm derived cells. Of particular interest as a member of the fibroblast growth factor family, basic fibroblast growth factor stimulates mitogenesis, chemotaxis, differentiation, and angiogenesis. It also plays an important role in the development of vascular, nervous, and skeletal systems, promotes the maintenance and survival of certain tissues, and stimulates wound healing and tissue repair. Animal studies have shown that the direct injection of fibroblast growth factor into fresh fractures stimulates callus formation, which provides mechanical stability to the fracture, accelerates healing, and restores competence. The matrix used to present the fibroblast growth factor at the fracture site plays a critical role in the effectiveness of the treatment. The evaluation of injectable basic fibroblast growth factor in a sodium hyaluronate gel for its effectiveness in stimulating fracture healing is described. When applied directly into a freshly created fracture in the rabbit fibula, a single injection of the basic fibroblast growth factor and hyaluronan results in the stimulation of callus formation, increased bone formation, and earlier restoration of mechanical strength at the fracture site. The hyaluronan gel serves as a reservoir that sequesters the basic fibroblast growth factor at the injection site for the length of time necessary to create an environment conducive to fracture healing. It is concluded that basic fibroblast growth factor and sodium hyaluronate act synergistically to accelerate fracture healing and that the combination is suitable for clinical evaluation as a therapy in fracture treatment.

Mars Exploration 2003 to 2013 - An Integrated Perspective: Time Sequencing the Missions

NASA Technical Reports Server (NTRS)

Briggs, G.; McKay, C.

2000-01-01

The science goals for the Mars exploration program, together with the HEDS precursor environmental and technology needs, serve as a solid starting point for re-planning the program in an orderly way. Most recently, the community has recognized the significance of subsurface sampling as a key component in "following the water". Accessing samples from hundreds and even thousands of meters beneath the surface is a challenge that will call for technology development and for one or more demonstration missions. Recent mission failures and concerns about the complexity of the previously planned MSR missions indicate that, before we are ready to undertake sample return and deep sampling, the Mars exploration program needs to include: 1) technology development missions; and 2) basic landing site assessment missions. These precursor missions should demonstrate the capability for reliable & accurate soft landing and in situ propellant production. The precursor missions will need to carry out close-up site observations, ground-penetrating radar mapping from orbit and conduct seismic surveys. Clearly the programs should be planned as a single, continuous exploration effort. A prudent minimum list of missions, including surface rovers with ranges of more than 10 km, can be derived from the numerous goals and requirements; they can be sequenced in an orderly way to ensure that time is available to feed forward the results of the precursor missions. One such sequence of missions is proposed for the decade beginning in 2003.

Leptospira Immunoglobulin-Like Protein B Interacts with the 20th Exon of Human Tropoelastin Contributing to Leptospiral Adhesion to Human Lung Cells

PubMed Central

Hsieh, Ching-Lin; Tseng, Andrew; He, Hongxuan; Kuo, Chih-Jung; Wang, Xuannian; Chang, Yung-Fu

2017-01-01

Leptospira immunoglobulin-like protein B (LigB), a surface adhesin, is capable of mediating the attachment of pathogenic leptospira to the host through interaction with various components of the extracellular matrix (ECM). Human tropoelastin (HTE), the building block of elastin, confers resilience and elasticity to lung, and other tissues. Previously identified Ig-like domains of LigB, including LigB4 and LigB12, bind to HTE, which is likely to promote Leptospira adhesion to lung tissue. However, the molecular mechanism that mediates the LigB-HTE interaction is unclear. In this study, the LigB-binding site on HTE was further pinpointed to a N-terminal region of the 20th exon of HTE (HTE20N). Alanine mutants of basic and aromatic residues on HTE20N significantly reduced binding to the LigB. Additionally, HTE-binding site was narrowed down to the first β-sheet of LigB12. On this binding surface, residues F1054, D1061, A1065, and D1066 were critical for the association with HTE. Most importantly, the recombinant HTE truncates could diminish the binding of LigB to human lung fibroblasts (WI-38) by 68%, and could block the association of LigA-expressing L. biflexa to lung cells by 61%. These findings should expand our understanding of leptospiral pathogenesis, particularly in pulmonary manifestations of leptospirosis. PMID:28536676

Thunder-induced ground motions: 2. Site characterization

NASA Astrophysics Data System (ADS)

Lin, Ting-L.; Langston, Charles A.

2009-04-01

Thunder-induced ground motion, near-surface refraction, and Rayleigh wave dispersion measurements were used to constrain near-surface velocity structure at an unconsolidated sediment site. We employed near-surface seismic refraction measurements to first define ranges for site structure parameters. Air-coupled and hammer-generated Rayleigh wave dispersion curves were used to further constrain the site structure by a grid search technique. The acoustic-to-seismic coupling is modeled as an incident plane P wave in a fluid half-space impinging into a solid layered half-space. We found that the infrasound-induced ground motions constrained substrate velocities and the average thickness and velocities of the near-surface layer. The addition of higher-frequency near-surface Rayleigh waves produced tighter constraints on the near-surface velocities. This suggests that natural or controlled airborne pressure sources can be used to investigate the near-surface site structures for earthquake shaking hazard studies.

Sampling Soil for Characterization and Site Description

NASA Technical Reports Server (NTRS)

Levine, Elissa

1999-01-01

The sampling scheme for soil characterization within the GLOBE program is uniquely different from the sampling methods of the other protocols. The strategy is based on an understanding of the 5 soil forming factors (parent material, climate, biota, topography, and time) at each study site, and how each of these interact to produce a soil profile with unique characteristics and unique input and control into the atmospheric, biological, and hydrological systems. Soil profile characteristics, as opposed to soil moisture and temperature, vegetative growth, and atmospheric and hydrologic conditions, change very slowly, depending on the parameter being measured, ranging from seasonally to many thousands of years. Thus, soil information, including profile description and lab analysis, is collected only one time for each profile at a site. These data serve two purposes: 1) to supplement existing spatial information about soil profile characteristics across the landscape at local, regional, and global scales, and 2) to provide specific information within a given area about the basic substrate to which elements within the other protocols are linked. Because of the intimate link between soil properties and these other environmental elements, the static soil properties at a given site are needed to accurately interpret and understand the continually changing dynamics of soil moisture and temperature, vegetation growth and phenology, atmospheric conditions, and chemistry and turbidity in surface waters. Both the spatial and specific soil information can be used for modeling purposes to assess and make predictions about global change.

High-Yield Site-Specific Conjugation of Fibroblast Growth Factor 1 with Monomethylauristatin E via Cysteine Flanked by Basic Residues.

PubMed

Lobocki, Michal; Zakrzewska, Malgorzata; Szlachcic, Anna; Krzyscik, Mateusz A; Sokolowska-Wedzina, Aleksandra; Otlewski, Jacek

2017-07-19

Site-specific conjugation is a leading trend in the development of protein conjugates, including antibody-drug conjugates (ADCs), suitable for targeted cancer therapy. Here, we present a very efficient strategy for specific attachment of a cytotoxic drug to fibroblast growth factor 1 (FGF1), a natural ligand of FGF receptors (FGFRs), which are over-expressed in several types of lung, breast, and gastric cancers and are therefore an attractive molecular target. Recently, we showed that FGF1 fused to monomethylauristatin E (vcMMAE) was highly cytotoxic to cells presenting FGFRs on their surface and could be used as a targeting agent alternative to an antibody. Unfortunately, conjugation via maleimide chemistry to endogenous FGF1 cysteines or a cysteine introduced at the N-terminus proceeded with low yield and led to nonhomogeneous products. To improve the conjugation, we introduced a novel Lys-Cys-Lys motif at either FGF1 terminus, which increased cysteine reactivity and allowed us to obtain an FGF1 conjugate with a defined site of conjugation and a yield exceeding 95%. Using FGFR-expressing cancer lines, we confirmed specific cytotoxity of the obtained C-terminal FGF1-vcMMAE conjugate and its selective endocytososis as compared with FGFR1-negative cells. This simple and powerful approach relying on the introduction of a short sequence containing cysteine and positively charged amino acids could be used universally to improve the efficiency of the site-specific chemical modification of other proteins.

Wearing surface testing and screening : Yukon River Bridge.

DOT National Transportation Integrated Search

2015-09-01

There is a demand and a need for cheaper and alternative surface coverings in environments with high temperature fluctuations. Our : design for an alternative surface covering involves a basic two-part component epoxy with the addition of a solvent. ...

Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

NASA Astrophysics Data System (ADS)

Zhang, R.; Makarenko, B.; Bahrim, B.; Rabalais, J. W.

2010-07-01

Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.

NASA/SDSU Geopositional Characterization

NASA Technical Reports Server (NTRS)

Helder, Dennis; Ross, Kenton; Helder, Dennis; Ross, Kentron

2006-01-01

The geolocational accuracy of products from the IKONOS, QuickBird, and OrbView-3 sensors was evaluated using two test sites: one developed in and around Brookings, SD, and one near Stennis Space Center, MS. Both of these relatively flat sites host over 100 ground control points surveyed to an accuracy of approximately 5 cm. They provide robust locations to test the basic geolocational accuracy of a variety of spaceborne and aircraft sensor systems. Imagery of both test sites was acquired by these three sensors in 2004 and in 2005; several products from each sensor, ranging from basic datasets through orthorectified imagery, were analyzed at Stennis Space Center and at South Dakota State University. While direct comparisons between sensors and products are difficult because of differing processing schemes, results indicate that these products tend to display stated levels of accuracy.

Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys

DOE PAGES

Celik, Fuat E.; Mavrikakis, Manos

2015-01-12

Periodic, self-consistent DFT-GGA (PW91) calculations were used to study the interaction of hydrogen atoms with the (111) surfaces of substitutional near-surface alloys (NSAs) of Au and Ni with different surface layer compositions and different arrangements of Au atoms in the surface layer. The effect of hydrogen adsorption on the surface and in the first and second subsurface layers of the NSAs was studied. Increasing the Au content in the surface layer weakens hydrogen binding on the surface, but strengthens subsurface binding, suggesting that the distribution of surface and subsurface hydrogen will be different than that on pure Ni(111). While themore » metal composition of the surface layer has an effect on the binding energy of hydrogen on NSA surfaces, the local composition of the binding site has a stronger effect. For example, fcc hollow sites consisting of three Ni atoms bind H nearly as strongly as on Ni(111), and fcc sites consisting of three Au atoms bind H nearly as weakly as on Au(111). Sites with one or two Au atoms show intermediate binding energies. The preference of hydrogen for three-fold Ni hollow sites alters the relative stabilities of different surface metal atom arrangements, and may provide a driving force for adsorbate-induced surface rearrangement.« less

Stability of Surface and Subsurface Hydrogen on and in Au/Ni Near-Surface Alloys

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

Celik, Fuat E.; Mavrikakis, Manos

2015-10-01

Periodic, self-consistent DFT-GGA (PW91) calculations were used to study the interaction of hydrogen atoms with the (111) surfaces of substitutional near-surface alloys (NSAs) of Au and Ni with different surface layer compositions and different arrangements of Au atoms in the surface layer. The effect of hydrogen adsorption on the surface and in the first and second subsurface layers of the NSAs was studied. Increasing the Au content in the surface layer weakens hydrogen binding on the surface, but strengthens subsurface binding, suggesting that the distribution of surface and subsurface hydrogen will be different than that on pure Ni(111). While themore » metal composition of the surface layer has an effect on the binding energy of hydrogen on NSA surfaces, the local composition of the binding site has a stronger effect. For example, fcc hollow sites consisting of three Ni atoms bind H nearly as strongly as on Ni(111), and fcc sites consisting of three Au atoms bind H nearly as weakly as on Au(111). Sites with one or two Au atoms show intermediate binding energies. The preference of hydrogen for three-fold Ni hollow sites alters the relative stabilities of different surface metal atom arrangements, and may provide a driving force for adsorbate-induced surface rearrangement.« less

Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys

NASA Astrophysics Data System (ADS)

Celik, Fuat E.; Mavrikakis, Manos

2015-10-01

Periodic, self-consistent DFT-GGA (PW91) calculations were used to study the interaction of hydrogen atoms with the (111) surfaces of substitutional near-surface alloys (NSAs) of Au and Ni with different surface layer compositions and different arrangements of Au atoms in the surface layer. The effect of hydrogen adsorption on the surface and in the first and second subsurface layers of the NSAs was studied. Increasing the Au content in the surface layer weakens hydrogen binding on the surface, but strengthens subsurface binding, suggesting that the distribution of surface and subsurface hydrogen will be different than that on pure Ni(111). While the metal composition of the surface layer has an effect on the binding energy of hydrogen on NSA surfaces, the local composition of the binding site has a stronger effect. For example, fcc hollow sites consisting of three Ni atoms bind H nearly as strongly as on Ni(111), and fcc sites consisting of three Au atoms bind H nearly as weakly as on Au(111). Sites with one or two Au atoms show intermediate binding energies. The preference of hydrogen for three-fold Ni hollow sites alters the relative stabilities of different surface metal atom arrangements, and may provide a driving force for adsorbate-induced surface rearrangement.

Status of the flora and fauna on the Nevada Test Site, 1988. Results of continuing basic environmental monitoring, January--December 1988

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

Hunter, R.B.

1992-06-01

In 1987 the US Department of Energy (DOE) initiated a program to monitor the health of the Nevada Test Site (NTS) plants and animals in support of the National Environmental Protection Act. The program, part of DOE`s Basic Environmental Compliance and Monitoring Program (BECAMP), monitors perennial and ephemeral plants, the more common species of rodents and lizards, and the horses, deer, raptors and other large animals on the NTS. This is a report of data collected on these flora and fauna for the year 1988, the second year of monitoring.

About 129Xe ∗ in meteoritic nanodiamonds

NASA Astrophysics Data System (ADS)

Fisenko, A. V.; Semjonova, L. F.

2008-08-01

The analysis of excess 129Xe in meteoritic nanodiamonds and the kinetics of its release during stepwise pyrolysis allow to suggest that (1) in the solar nebula 129I atoms were adsorbed onto nanodiamond grains and (or) chemisorbed by forming covalent bonds with carbon atoms. Most 129I atoms existed in a surface connected state, but a minor amount of them was in nanopores of the grains. At radioactive decay of 129I the formed 129Xe ( 129Xe ∗) was trapped by diamond grains due to nuclear recoil. (2) During thermal metamorphism or aqueous alteration, the surface-sited 129I atoms were basically lost. On the basis of these assumptions and calculated concentrations of 129Xe ∗ in meteoritic nanodiamonds it is shown that the minimum closing time of the I-Xe system for meteorites of different chemical classes and low petrologic types may be about one million years relative to the minimally thermally metamorphized CO3 meteorite ALHA 77307. With increasing metamorphic grade the closing time of the I-Xe system increases and can range up to several ten millions years. This tendency is in agreement with an onion-shell model of structure and cooling history of meteorite parent bodies where the temperature increases in the direction from surface to center of the asteroids.

Visualization and Quality Control Web Tools for CERES Products

NASA Astrophysics Data System (ADS)

Mitrescu, C.; Doelling, D. R.

2017-12-01

The NASA CERES project continues to provide the scientific communities a wide variety of satellite-derived data products such as observed TOA broadband shortwave and longwave observed fluxes, computed TOA and Surface fluxes, as well as cloud, aerosol, and other atmospheric parameters. They encompass a wide range of temporal and spatial resolutions, suited to specific applications. CERES data is used mostly by climate modeling communities but also by a wide variety of educational institutions. To better serve our users, a web-based Ordering and Visualization Tool (OVT) was developed by using Opens Source Software such as Eclipse, java, javascript, OpenLayer, Flot, Google Maps, python, and others. Due to increased demand by our own scientists, we also implemented a series of specialized functions to be used in the process of CERES Data Quality Control (QC) such as 1- and 2-D histograms, anomalies and differences, temporal and spatial averaging, side-by-side parameter comparison, and others that made the process of QC far easier and faster, but more importantly far more portable. With the integration of ground site observed surface fluxes we further facilitate the CERES project to QC the CERES computed surface fluxes. An overview of the CERES OVT basic functions using Open Source Software, as well as future steps in expanding its capabilities will be presented at the meeting.

Are They Telltale Ripples?

NASA Technical Reports Server (NTRS)

2004-01-01

This false-color image from the Mars Exploration Rover Spirit's panoramic camera shows peak-like formations on the martian terrain at Gusev Crater. Scientists have been analyzing these formations, which have coarse particles accumulating on their tops, or crests. This characteristic classifies them as ripples instead of dunes, which have a more uniform distribution of particle sizes. Scientists are looking further into such formations, which can give insight to the wind direction and velocity on Mars, as well as the material that is being moved by the wind. This image was taken on the 40th martian day, or sol, of Spirit's mission.

[figure removed for brevity, see original site] Click on image for larger view [Image credit: NASA/JPL/ASU]

This diagram illustrates how windblown sediments travel. There are three basic types of particles that undergo different motions depending on their size. These particles are dust, sand and coarse sand, and their sizes approximate flour, sugar, and ball bearings, respectively. Sand particles move along the 'saltation' path, hitting the surface downwind. When the sand hits the surface, it sends dust into the atmosphere and gives coarse sand a little shove. Mars Exploration Rover scientists are studying the distribution of material on the surface of Mars to better understand how winds shaped the landscape.

Single molecule imaging of green fluorescent proteins in living cells: E-cadherin forms oligomers on the free cell surface.

PubMed Central

Iino, R; Koyama, I; Kusumi, A

2001-01-01

Single green fluorescent protein (GFP) molecules were successfully imaged for the first time in living cells. GFP linked to the cytoplasmic carboxyl terminus of E-cadherin (E-cad-GFP) was expressed in mouse fibroblast L cells, and observed using an objective-type total internal reflection fluorescence microscope. Based on the fluorescence intensity of individual fluorescent spots, the majority of E-cad-GFP molecules on the free cell surface were found to be oligomers of various sizes, many of them greater than dimers, suggesting that oligomerization of E-cadherin takes place before its assembly at cell-cell adhesion sites. The translational diffusion coefficient of E-cad-GFP is reduced by a factor of 10 to 40 upon oligomerization. Because such large decreases in translational mobility cannot be explained solely by increases in radius upon oligomerization, an oligomerization-induced trapping model is proposed in which, when oligomers are formed, they are trapped in place due to greatly enhanced tethering and corralling effects of the membrane skeleton on oligomers (compared with monomers). The presence of many oligomers greater than dimers on the free surface suggests that these greater oligomers are the basic building blocks for the two-dimensional cell adhesion structures (adherens junctions). PMID:11371443

Decontamination of adsorbed chemical warfare agents on activated carbon using hydrogen peroxide solutions.

PubMed

Osovsky, Ruth; Kaplan, Doron; Nir, Ido; Rotter, Hadar; Elisha, Shmuel; Columbus, Ishay

2014-09-16

Mild treatment with hydrogen peroxide solutions (3-30%) efficiently decomposes adsorbed chemical warfare agents (CWAs) on microporous activated carbons used in protective garments and air filters. Better than 95% decomposition of adsorbed sulfur mustard (HD), sarin, and VX was achieved at ambient temperatures within 1-24 h, depending on the H2O2 concentration. HD was oxidized to the nontoxic HD-sulfoxide. The nerve agents were perhydrolyzed to the respective nontoxic methylphosphonic acids. The relative rapidity of the oxidation and perhydrolysis under these conditions is attributed to the microenvironment of the micropores. Apparently, the reactions are favored due to basic sites on the carbon surface. Our findings suggest a potential environmentally friendly route for decontamination of adsorbed CWAs, using H2O2 without the need of cosolvents or activators.

Earthquake hazards to domestic water distribution systems in Salt Lake County, Utah

USGS Publications Warehouse

Highland, Lynn M.

1985-01-01

A magnitude-7. 5 earthquake occurring along the central portion of the Wasatch Fault, Utah, may cause significant damage to Salt Lake County's domestic water system. This system is composed of water treatment plants, aqueducts, distribution mains, and other facilities that are vulnerable to ground shaking, liquefaction, fault movement, and slope failures. Recent investigations into surface faulting, landslide potential, and earthquake intensity provide basic data for evaluating the potential earthquake hazards to water-distribution systems in the event of a large earthquake. Water supply system components may be vulnerable to one or more earthquake-related effects, depending on site geology and topography. Case studies of water-system damage by recent large earthquakes in Utah and in other regions of the United States offer valuable insights in evaluating water system vulnerability to earthquakes.

Infrared thermography in the architectural field.

PubMed

Meola, Carosena

2013-01-01

Infrared thermography is becoming ever more popular in civil engineering/architecture mainly due to its noncontact character which includes two great advantages. On one side, it prevents the object, under inspection, from any alteration and this is worthwhile especially in the presence of precious works of art. On the other side, the personnel operate in a remote manner far away from any hazard and this complies well with safety at work regulations. What is more, it offers the possibility to quickly inspect large surfaces such as the entire facade of a building. This paper would be an overview of the use of infrared thermography in the architectural and civil engineering field. First, some basic testing procedures are described, and then some key examples are presented owing to both laboratory tests and applications in situ spanning from civil habitations to works of art and archaeological sites.

Incorporating Applied Learning Techniques of Basic Skills into the Secondary Vocational Education Curriculum. Final Report.

ERIC Educational Resources Information Center

Jonesboro School District 1, AR.

The Jonesboro Area Vocational High School was the Arkansas pilot site for the Southern Regional Education Board (SREB) initiative to improve the basic competencies of high school vocational students. The project aimed to revise vocational courses to incorporate academic content, to revise course requirements, and to encourage vocational and…

Trust Territory of the Pacific Islands Adult Basic Education Program. Evaluation Report, Fiscal Year 1979.

ERIC Educational Resources Information Center

McCune, Donald A.

The Adult Basic Education (ABE) program conducted by the Trust Territory of the Pacific Islands was evaluated. Data were collected via staff interviews and record reviews during site visits at ABE facilities located in five of six district comprising the Trust Territory. Focus of the evaluation activities was on program administration,…

107. Air defense command "master plan, basic mission plan," RCA ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

107. Air defense command "master plan, basic mission plan," RCA Service Company tab no. F-1, sheet 2 of 2, dated 1 June, 1963. - Clear Air Force Station, Ballistic Missile Early Warning System Site II, One mile west of mile marker 293.5 on Parks Highway, 5 miles southwest of Anderson, Anderson, Denali Borough, AK

Hydrological responses to channelization and the formation of valley plugs and shoals

USGS Publications Warehouse

Pierce, Aaron R.; King, Sammy L.

2017-01-01

Rehabilitation of floodplain systems focuses on restoring interactions between the fluvial system and floodplain, however, there is a paucity of information on the effects of valley plugs and shoals on floodplain hydrological processes. We investigated hydrologic regimes in floodplains at three valley plug sites, two shoal sites, and three unchannelized sites. Valley plug sites had altered surface and sub-surface hydrology relative to unchannelized sites, while only sub-surface hydrology was affected at shoal sites. Some of the changes were unexpected, such as reduced flood duration and flood depth in floodplains associated with valley plugs. Our results emphasize the variability associated with hydrologic processes around valley plugs and our rudimentary understanding of the effects associated with these geomorphic features. Water table levels were lower at valley plug sites compared to unchannelized sites, however, valley plug sites had a greater proportion of days when water table inundation was above mean root collar depth than both shoal and unchannelized sites as a result of lower root collar depths and higher deposition rates. This study has provided evidence that valley plugs can affect both surface and sub-surface hydrology in different ways than previously thought and illustrates the variability in hydrological responses to valley plug formation.

Are the Viking Lander sites representative of the surface of Mars?

NASA Technical Reports Server (NTRS)

Jakosky, B. M.; Christensen, P. R.

1986-01-01

Global remote sensing data of the Martian surface, collected by earth- and satellite-based instruments, are compared with data from the two Viking Landers to determine if the Lander data are representative of the Martian surface. The landing sites are boulder-strewn and feature abundant fine material and evidence of strong eolian forces. One site (VL-1) is in a plains-covered basin which is associated with volcanic activity; the VL-2 site is in the northern plains. Thermal IR, broadband albedo, color imaging and radar remote sensing has been carried out of the global Martian surface. The VL-1 data do not fit a general correlation observed between increases in 70-cm radar cross-sections and thermal inertia. A better fit is found with 12.5-cm cross sections, implying the presence of a thinner or discontinuous duricrust at the VL-1 site, compared to other higher-inertia regions. A thin dust layer is also present at the VL-2 site, based on the Lander reflectance data. The Lander sites are concluded to be among the three observed regions of anomalous reflectivity, which can be expected in low regions selected for the landings. Recommendations are furnished for landing sites of future surface probes in order to choose sites more typical of the global Martian surface.

NO2 disproportionation for the IR characterisation of basic zeolites.

PubMed

Marie, Olivier; Malicki, Nicolas; Pommier, Catherine; Massiani, Pascale; Vos, Ann; Schoonheydt, Robert; Geerlings, Paul; Henriques, Carlos; Thibault-Starzyk, Fréderic

2005-02-28

NO2 disproportionation on alkaline zeolites is used to generate nitrosonium (NO+) and nitrate ions on the surface, and the infrared vibrations observed are very sensitive to the cation chemical hardness and to the basicity of zeolitic oxygen atoms.

Firewalking: A Lesson in Physics.

ERIC Educational Resources Information Center

Taylor, John R.

1989-01-01

Emphasizes firewalking as a good illustration of basic concepts in thermodynamics. Describes the basic principles of firewalking and other factors including the cooling of the surface embers, moisture of the feet, thick skin on the feet, tolerance for pain, and other uncontrolled factors. (YP)

Rapid comparison of protein binding site surfaces with Property Encoded Shape Distributions (PESD)

PubMed Central

Das, Sourav; Kokardekar, Arshad

2009-01-01

Patterns in shape and property distributions on the surface of binding sites are often conserved across functional proteins without significant conservation of the underlying amino-acid residues. To explore similarities of these sites from the viewpoint of a ligand, a sequence and fold-independent method was created to rapidly and accurately compare binding sites of proteins represented by property-mapped triangulated Gauss-Connolly surfaces. Within this paradigm, signatures for each binding site surface are produced by calculating their property-encoded shape distributions (PESD), a measure of the probability that a particular property will be at a specific distance to another on the molecular surface. Similarity between the signatures can then be treated as a measure of similarity between binding sites. As postulated, the PESD method rapidly detected high levels of similarity in binding site surface characteristics even in cases where there was very low similarity at the sequence level. In a screening experiment involving each member of the PDBBind 2005 dataset as a query against the rest of the set, PESD was able to retrieve a binding site with identical E.C. (Enzyme Commission) numbers as the top match in 79.5% of cases. The ability of the method in detecting similarity in binding sites with low sequence conservations were compared with state-of-the-art binding site comparison methods. PMID:19919089

Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells

PubMed Central

Kramm, Ulrike I.; Herranz, Juan; Larouche, Nicholas; Arruda, Thomas M.; Lefèvre, Michel; Jaouen, Frédéric; Bogdanoff, Peter; Fiechter, Sebastian; Abs-Wurmbach, Irmgard; Mukerjee, Sanjeev; Dodelet, Jean-Pol

2012-01-01

Fe-based catalytic sites for the reduction of oxygen in acidic medium have been identified by 57Fe Mössbauer spectroscopy of Fe/N/C catalysts containing 0.03 to 1.55 wt% Fe, which were prepared by impregnation of iron acetate on carbon black followed by heat-treatment in NH3 at 950°C. Four different Fe-species were detected at all iron concentrations: three doublets assigned to molecular FeN4-like sites with their ferrous ion in low (D1), medium (D2) or high spin state (D3), and two other doublets assigned to a single Fe-species (D4 and D5) consisting of surface oxidized nitride nanoparticles (FexN, with x≤2.1). A fifth Fe-species appears only in those catalysts with Fe-contents ≥ 0.27 wt%. It is characterized by a very broad singlet, which has been assigned to incomplete FeN4-like sites that quickly dissolve in contact with an acid. Among the five Fe-species identified in these catalysts, only D1 and D3 display catalytic activity for the oxygen reduction reaction (ORR) in the acid medium, with D3 featuring a composite structure with a protonated neighbour basic nitrogen and being by far the most active species, with an estimated turn over frequency for the ORR of 11.4 e− site−1 s−1 at 0.8V vs RHE. Moreover, all D1 sites and between 1/2 to 2/3 of the D3 sites are acid-resistant. A scheme for the mechanism of site formation upon heat-treatment is also proposed. This identification of the ORR-active sites in these catalysts is of crucial importance to design strategies to improve the catalytic activity and stability of these materials. PMID:22824866

Continuing and New Measurements at the Abyssal ALOHA Cabled Observatory

NASA Astrophysics Data System (ADS)

Howe, B. M.; Potemra, J. T.; Butler, R.; Santiago-Mandujano, F.; Lukas, R.; Duennebier, F. K.; Karl, D. M.; Aucan, J.

2016-02-01

The ALOHA Cabled Observatory (ACO) is a general purpose "node" providing power, communications and timing connectivity for science use at Station ALOHA 100 km north of Oahu. Included are a suite of basic sensors making core measurements, some local and some sensing the water column. At 4728 m deep, it is the deepest scientific outpost on the planet with power and Internet. Importantly, Station ALOHA is the field site of the NSF-funded Hawaii Ocean Time-series (HOT) program that has investigated temporal dynamics in biology, physics, and chemistry since 1988, at a site that is representative of roughly 70% of the world ocean, sampling the ocean from top to bottom to monitor and study changes on scales of months to decades. The co-located Woods Hole mooring (WHOTS) provides meteorological and upper ocean physical data. The CMORE (Center for Microbial Oceanography Research and Education) and SCOPE (Simons Collaboration on Ocean Processes and Ecology) programs address their respective science topics at ALOHA. Together these programs provide a truly unique means for observing the ocean across all disciplines and regimes (deep sea, near surface, etc.). ACO has been operating in the abyss since June 2011, collecting temperature, salinity, velocity, acoustic, and video data (see for instance the abstract by Lukas et al., Spatial Analysis of Abyssal Temperature Variations Observed from the ALOHA Cabled Observatory and WHOTS Moorings). Using the University of Hawaii remotely operated vehicle ROV Lu`ukai, a basic sensor package was recently installed equipped with a Paroscientific nano-resolution pressure sensor, a WetLabs fluorometer/turbidity sensor, and a Seabird CTDO2 instrument. These data will be presented and described.

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

40 CFR 761.240 - Scope and definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

...: Selecting Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.240 Scope and definitions. (a) Use these procedures to select surface sampling sites for natural gas pipe to determine its PCB surface concentration for abandonment-in-place or removal and disposal off-site in...

40 CFR 761.240 - Scope and definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

...: Selecting Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.240 Scope and definitions. (a) Use these procedures to select surface sampling sites for natural gas pipe to determine its PCB surface concentration for abandonment-in-place or removal and disposal off-site in...

40 CFR 761.240 - Scope and definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

...: Selecting Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.240 Scope and definitions. (a) Use these procedures to select surface sampling sites for natural gas pipe to determine its PCB surface concentration for abandonment-in-place or removal and disposal off-site in...

40 CFR 761.240 - Scope and definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

...: Selecting Sample Sites, Collecting Surface Samples, and Analyzing Standard PCB Wipe Samples § 761.240 Scope and definitions. (a) Use these procedures to select surface sampling sites for natural gas pipe to determine its PCB surface concentration for abandonment-in-place or removal and disposal off-site in...

Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

NASA Astrophysics Data System (ADS)

Adib, Kaveh

Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

Colleges Get Free Web Pages but with a Catch: Advertising.

ERIC Educational Resources Information Center

Blumenstyk, Goldie

1999-01-01

Striving to streamline student services and improve electronic communication, colleges and universities are signing on with companies that offer sophisticated World Wide Web sites through which students can accomplish basic administrative functions and receive information. The sites are often free of charge but also feature advertising messages…

A new landscape classification system for monitoring and assessment of pastures

USDA-ARS?s Scientific Manuscript database

Pasturelands in the United States span a broad range of climate, soils, physical sites, and management. Rather than treat each site as a unique entity, this diversity must be classified into basic units for research and management purposes. A similar system based on ecological principles is needed f...

Oak plantation establishment using mechanical, burning, and herbicide treatments

Treesearch

James H. Miller

1993-01-01

Abstract.Mechanical methods, prescribed burning, and herbicide treatments for establishing oak plantations are reviewed, with emphasis on herbicides. Integrated prescriptions for site preparation using these silvicultural tools are outlined for both clearcut forests and old field sites. The basic premise is that intensive cultural treatments will be...

NASA: Data on the Web.

ERIC Educational Resources Information Center

Galica, Carol

1997-01-01

Provides an annotated bibliography of selected NASA Web sites for K-12 math and science teachers: the NASA Lewis Research Center Learning Technologies K-12 Home Page, Spacelink, NASA Quest, Basic Aircraft Design Page, International Space Station, NASA Shuttle Web Site, LIFTOFF to Space Education, Telescopes in Education, and Space Educator's…

Searching for American Indian Resources on the Internet.

ERIC Educational Resources Information Center

Pollack, Ira; Derby, Amy

This paper provides basic information on searching the Internet and lists World Wide Web sites containing resources for American Indian education. Comprehensive and topical Web directories, search engines, and meta-search engines are briefly described. Search strategies are discussed, and seven Web sites are listed that provide more advanced…

Modeling of transient heat pipe operation

NASA Technical Reports Server (NTRS)

Colwell, Gene T.

1987-01-01

The use of heat pipes is being considered as a means of reducing the peak temperature and large thermal gradients at the leading edges of reentry vehicles and hypersonic aircraft and in nuclear reactors. In the basic cooling concept, the heat pipe covers the leading edge, a portion of the lower wing surface, and a portion of the upper wing surface. Aerodynamic heat is mainly absorbed at the leading edge and transported through the heat pipe to the upper and lower wing surface, where it is rejected by thermal radiation and convection. Basic governing equations are written to determine the startup, transient, and steady state performance of a haet pipe which has initially frozen alkali-metal as the working fluid.

Absolute ages from crater statistics: Using radiometric ages of Martian samples for determining the Martian cratering chronology

NASA Technical Reports Server (NTRS)

Neukum, G.

1988-01-01

In the absence of dates derived from rock samples, impact crater frequencies are commonly used to date Martian surface units. All models for absolute dating rely on the lunar cratering chronology and on the validity of its extrapolation to Martian conditions. Starting from somewhat different lunar chronologies, rather different Martian cratering chronologies are found in the literature. Currently favored models are compared. The differences at old ages are significant, the differences at younger ages are considerable and give absolute ages for the same crater frequencies as different as a factor of 3. The total uncertainty could be much higher, though, since the ratio of lunar to Martian cratering rate which is of basic importance in the models is believed to be known no better than within a factor of 2. Thus, it is of crucial importance for understanding the the evolution of Mars and determining the sequence of events to establish an unambiguous Martian cratering chronology from crater statistics in combination with clean radiometric ages of returned Martian samples. For the dating goal, rocks should be as pristine as possible from a geologically simple area with a one-stage emplacement history of the local formation. A minimum of at least one highland site for old ages, two intermediate-aged sites, and one very young site is needed.

Basics and applications of genome editing technology.

PubMed

Yamamoto, Takashi; Sakamoto, Naoaki

2016-01-01

Genome editing with programmable site-specific nucleases is an emerging technology that enables the manipulation of targeted genes in many organisms and cell lines. Since the development of the CRISPR-Cas9 system in 2012, genome editing has rapidly become an indispensable technology for all life science researchers, applicable in various fields. In this seminar, we will introduce the basics of genome editing and focus on the recent development of genome editing tools and technologies for the modification of various organisms and discuss future directions of the genome editing research field, from basic to medical applications.

Radioimmunoassays and 2-site immunoradiometric "sandwich" assays: basic principles.

PubMed

Rodbard, D

1988-10-01

The "sandwich" or noncompetitive reagent-excess, 2-site immunoradiometric assay (2-site IRMA), ELISA, USERIA, and related techniques, have several advantages compared with the traditional or competitive radioimmunoassays. IRMAs can provide improved sensitivity and specificity. However, IRMAs present some practical problems with nonspecific binding, increased consumption of antibody, biphasic dose response curve, (high dose hook effect), and may require special techniques for dose response curve analysis. We anticipate considerable growth in the popularity and importance of 2-site IRMA.

Particle transport and deposition: basic physics of particle kinetics.

PubMed

Tsuda, Akira; Henry, Frank S; Butler, James P

2013-10-01

The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. The particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic. Conversely, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drugs. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this article. A large portion of this article deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: (i) the physical characteristics of particles, (ii) particle behavior in gas flow, and (iii) gas-flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The article concludes with a summary and a brief discussion of areas of future research. © 2013 American Physiological Society. Compr Physiol 3:1437-1471, 2013.

Facet‐Controlled Synthetic Strategy of Cu2O‐Based Crystals for Catalysis and Sensing

PubMed Central

Shang, Yang

2015-01-01

Shape‐dependent catalysis and sensing behaviours are primarily focused on nanocrystals enclosed by low‐index facets, especially the three basic facets ({100}, {111}, and {110}). Several novel strategies have recently exploded by tailoring the original nanocrystals to greatly improve the catalysis and sensing performances. In this Review, we firstly introduce the synthesis of a variety of Cu2O nanocrystals, including the three basic Cu2O nanocrystals (cubes, octahedra and rhombic dodecahedra, enclosed by the {100}, {111}, and {110} facets, respectively), and Cu2O nanocrystals enclosed by high‐index planes. We then discuss in detail the three main facet‐controlled synthetic strategies (deposition, etching and templating) to fabricate Cu2O‐based nanocrystals with heterogeneous, etched, or hollow structures, including a number of important concepts involved in those facet‐controlled routes, such as the selective adsorption of capping agents for protecting special facets, and the impacts of surface energy and active sites on reaction activity trends. Finally, we highlight the facet‐dependent properties of the Cu2O and Cu2O‐based nanocrystals for applications in photocatalysis, gas catalysis, organocatalysis and sensing, as well as the relationship between their structures and properties. We also summarize and comment upon future facet‐related directions. PMID:27980909

Facet-Controlled Synthetic Strategy of Cu2O-Based Crystals for Catalysis and Sensing.

PubMed

Shang, Yang; Guo, Lin

2015-10-01

Shape-dependent catalysis and sensing behaviours are primarily focused on nanocrystals enclosed by low-index facets, especially the three basic facets ({100}, {111}, and {110}). Several novel strategies have recently exploded by tailoring the original nanocrystals to greatly improve the catalysis and sensing performances. In this Review, we firstly introduce the synthesis of a variety of Cu 2 O nanocrystals, including the three basic Cu 2 O nanocrystals (cubes, octahedra and rhombic dodecahedra, enclosed by the {100}, {111}, and {110} facets, respectively), and Cu 2 O nanocrystals enclosed by high-index planes. We then discuss in detail the three main facet-controlled synthetic strategies (deposition, etching and templating) to fabricate Cu 2 O-based nanocrystals with heterogeneous, etched, or hollow structures, including a number of important concepts involved in those facet-controlled routes, such as the selective adsorption of capping agents for protecting special facets, and the impacts of surface energy and active sites on reaction activity trends. Finally, we highlight the facet-dependent properties of the Cu 2 O and Cu 2 O-based nanocrystals for applications in photocatalysis, gas catalysis, organocatalysis and sensing, as well as the relationship between their structures and properties. We also summarize and comment upon future facet-related directions.

Structure of a double ubiquitin-like domain in the talin head: a role in integrin activation

PubMed Central

Goult, Benjamin T; Bouaouina, Mohamed; Elliott, Paul R; Bate, Neil; Patel, Bipin; Gingras, Alexandre R; Grossmann, J Günter; Roberts, Gordon C K; Calderwood, David A; Critchley, David R; Barsukov, Igor L

2010-01-01

Talin is a 270-kDa protein that activates integrins and couples them to cytoskeletal actin. Talin contains an N-terminal FERM domain comprised of F1, F2 and F3 domains, but it is atypical in that F1 contains a large insert and is preceded by an extra domain F0. Although F3 contains the binding site for β-integrin tails, F0 and F1 are also required for activation of β1-integrins. Here, we report the solution structures of F0, F1 and of the F0F1 double domain. Both F0 and F1 have ubiquitin-like folds joined in a novel fixed orientation by an extensive charged interface. The F1 insert forms a loop with helical propensity, and basic residues predicted to reside on one surface of the helix are required for binding to acidic phospholipids and for talin-mediated activation of β1-integrins. This and the fact that basic residues on F2 and F3 are also essential for integrin activation suggest that extensive interactions between the talin FERM domain and acidic membrane phospholipids are required to orientate the FERM domain such that it can activate integrins. PMID:20150896

Inhibition of Photocatalytic Activity of Basic Blue-41 by ZnO Modified Surface with Amino Silane

NASA Astrophysics Data System (ADS)

Limsapapkasiphon, S.; Sirisaksoontorn, W.; Songsasen, A.

2018-03-01

The reduction of the photo catalytic efficiency of ZnO can be achieved by modifying its surface with amino silane, which synthesized through condensation reaction under basic condition. The pH of solution was varied from 8 to 14 during the synthesis and was found that pH 12 was the most suitable pH for the preparation. All of ZMAS were characterized by Elemental Analysis which showed the highest percentage of nitrogen at 3.1064% and IR technique which indicated the Si-O-Zn bond at about 1000 cm-1. The photodegradation property of ZMAS prepared at pH 8-12 toward basic blue 41 was retarded when compared with the unmodified ZnO. Effect of mole ratio of ZnO:APTES (1:0.1, 1:0.5, 1:1, and 1:2) in the preparation of ZMAS was investigated. The photodegration activity of ZMAS prepared at mole ratio of ZnO:APTES as 1:0.5 to 1:2 toward basic blue 41 was retarded when compared with the unmodified ZnO. The coating of amino silane on ZnO surface did not have much effect on the band gap energy of modified ZnO. The absorption edge of ZMAS was only slightly shifted from 392 to 397 nm.

Site preparation burning to improve southern Appalachian pine-hardwood stands: nitrogen responses in soil, soil water, and streams

Treesearch

Jennifer D. Knoepp; Wayne T. Swank

1993-01-01

Few studies have examined the consequences of site preparation burning in an ecosystem context. As Swift et al. (1993) explain in detail, a major study is being conducted in the southern Appalachians to understand the effects of a fell and bum site preparation treatment on basic ecosystem processes and the integrated response to disturbance. The intent is to determine...

EPR DOSIMETRY STUDY FOR POPULATION RESIDING IN THE VICINITY OF FALLOUT TRACE FOR NUCLEAR TEST ON 7 AUGUST 1962.

PubMed

Zhumadilov, Kassym Sh; Ivannikov, Alexander I; Stepanenko, Valeriy F; Toyoda, Shin; Skvortsov, Valeriy G; Hoshi, Masaharu

2016-12-01

The method of electron paramagnetic resonance (EPR) dosimetry using extracted teeth has been applied to human tooth enamel to obtain individual absorbed doses of residents of settlements in the vicinity of the central axis of radioactive fallout trace from the contaminating surface nuclear test on 7 August 1962. Most of the settlements (Kurchatov, Akzhar, Begen, Buras, Grachi, Mayskoe, Semenovka) are located from 70 to 120 km to the North-East from the epicenter of the explosion at the Semipalatinsk Nuclear Test Site (SNTS). This region is basically an agricultural region. A total of 57 teeth samples were collected from these sites. Eight teeth from residents of the Kokpekty settlement, which was not subjected to any radioactive contamination and located 400 km to the Southeast from SNTS, were chosen as a control. The principal findings, using this method, were that the average excess dose obtained after subtraction of the natural background radiation was 13 mGy and ranged up to about 100 mGy all for residents in this region. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Neglected sources of pharmaceuticals in river water--footprints of a Reggae festival.

PubMed

Daneshvar, Atlasi; Svanfelt, Jesper; Kronberg, Leif; Weyhenmeyer, Gesa A

2012-02-01

Wastewater treatment plants (WWTPs) are commonly considered as the main source of pharmaceuticals in surface waters. Here, however, we show that an open-air festival, attracting approximately 10,000 visitors per year at the shores of River Fyris upstream of Uppsala WWTP, can temporarily result in a higher pharmaceutical input into the river water than the WWTP. Studying the influence of Uppsala Reggae festival on the occurrence of ten commonly used acidic and basic pharmaceuticals upstream, in the effluent, and downstream of the Uppsala WWTP, we found that occasional heavy rainfalls during the festival in 2008 severely increased the mass flows of all pharmaceuticals at the WWTP upstream site. Also, strong increases in ammonium (210-fold), nitrate (21-fold), and total nitrogen (21-fold) mass flows were observed. The pharmaceutical mass flows at the upstream site were up to 3.4 times higher than those observed in the WWTP effluent. In contrast, in 2009, the festival was not accompanied with rainfalls and no major additional input of pharmaceuticals and nitrogen was observed. The findings of this study give new insights into risk assessments and are relevant for monitoring programmes.

Crystal structure of the Mus81-Eme1 complex.

PubMed

Chang, Jeong Ho; Kim, Jeong Joo; Choi, Jung Min; Lee, Jung Hoon; Cho, Yunje

2008-04-15

The Mus81-Eme1 complex is a structure-specific endonuclease that plays an important role in rescuing stalled replication forks and resolving the meiotic recombination intermediates in eukaryotes. We have determined the crystal structure of the Mus81-Eme1 complex. Both Mus81 and Eme1 consist of a central nuclease domain, two repeats of the helix-hairpin-helix (HhH) motif at their C-terminal region, and a linker helix. While each domain structure resembles archaeal XPF homologs, the overall structure is significantly different from those due to the structure of a linker helix. We show that a flexible intradomain linker that formed with 36 residues in the nuclease domain of Eme1 is essential for the recognition of DNA. We identified several basic residues lining the outer surface of the active site cleft of Mus81 that are involved in the interaction with a flexible arm of a nicked Holliday junction (HJ). These interactions might contribute to the optimal positioning of the opposite junction across the nick into the catalytic site, which provided the basis for the "nick and counternick" mechanism of Mus81-Eme1 and for the nicked HJ to be the favored in vitro substrate of this enzyme.

Functionalized MIL-101 with imidazolium-based ionic liquids for the cycloaddition of CO2 and epoxides under mild condition

NASA Astrophysics Data System (ADS)

Liu, Dan; Li, Gang; Liu, Haiou

2018-01-01

A kind of multi-functional sites metal-organic framework (MOF) composite (MIL-101-IMBr) was successfully prepared by post-synthesis modification of MIL-101 with imidazolium-based ionic liquids. The ionic liquids not only functionalize as basic sites but also provide halide anions, which serve as a nucleophile in cycloaddition reaction. The prepared functional MOF materials were characterized by X-ray diffraction, fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, N2 adsorption-desorption and CO2 temperature programmed desorption. The results of fourier transform infrared spectroscopy and energy dispersive spectroscopy show that the MIL-101-IMBr composite was successfully synthesized. The N2 adsorption-desorption results clearly demonstrated that the modified composites still preserve high BET surface area and total pore volume. The composite exhibits high catalytic activity for the cycloaddition of CO2 with epoxides under mild and co-catalyst free conditions. The conversion of propylene oxide was 95.8% and the selectivity of cyclic carbonate was 97.6% under 0.8 MPa at 80 °C for 4 h. Moreover, the catalyst can be used for at least five times.

Environment and Architecture - a Paradigm Shift

NASA Astrophysics Data System (ADS)

di Battista, Valerio

The interaction of human cultures and the built environment allows a wide range of interpretations and has been studied inside the domain of many disciplines. This paper discusses three interpretations descending from a systemic approach to the question: - architecture as an "emergence" of the settlement system; - place (and space) as an "accumulator" of time and a "flux" of systems; - landscape as one representation/description of the human settlement. Architecture emerges as a new physical conformation or layout, or as a change in a specific site, arising from actions and representations of political, religious, economical or social powers, being shaped at all times by the material culture belonging to a specific time and place in the course of human evolution. Any inhabited space becomes over time a place as well as a landscape, i.e. a representation of the settlement and a relationship between setting and people. Therefore, any place owns a landscape which, in turn, is a system of physical systems; it could be defined as a system of sites that builds up its own structure stemming from the orographical features and the geometry of land surfaces that set out the basic characters of its space.

[Molecular evolution of the sulphite efflux gene SSU1 in Saccharomyces cerevisiae].

PubMed

Peng, Li-Xin; Sun, Fei-Fei; Huang, Yan-Yan; Li, Zhen-Chong

2013-11-01

The SSU1 gene encoding a membrane sulfite pump is a main facilitator invovled in sulfite efflux. In Saccharomyce cerevisiae, various range of resistance to sulfite was observed among strains. To explore the evolution traits of SSU1 gene, the population data of S. cerevisiae were collected and analyzed. The phylogenetic analysis indicated that S. cerevisiae population can be classified into three sub-populations, and the positive selection was detected in population by McDonald-Kreitman test. The anaylsis of Ka/Ks ratios further showed that S. cerevisiae sub-population was undergoing positive selection. This finding was also supported by PAML branch model. Nine potential positive selection sites were predicted by branch-site model, and four sites exclusively belong to the sub-population under positive seletion. The data from ssulp protein structure demonstrated that three sites are substitutions between polar and hydrophobic amino acids, and only one site of substitutaion from basic amino acid to basic amino acid (345R/K). Because amino acid pKa values are crucial for sulfite pump to maintain their routine function, positive selection of these amino acid substitutions might affect sulfite efflux efficient.

Multiple criteria approach to site selection of radioactive waste disposal facility in the Republic of Croatia

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

Schaller, A.; Skanata, D.

1995-12-31

Site selection approach to radioactive waste disposal facility, which is under way in Croatia, is presented in the paper. This approach is based on application of certain relevant terrestrial and technical criteria in the site selection process. Basic documentation used for this purpose are regional planning documents prepared by the Regional Planning Institute of Croatia. The basic result of research described in the paper is the proposal of several potential areas which are suitable for siting a radioactive waste repository. All relevant conclusions are based on both data groups -- generic and on-field experienced (measured). Out of a dozen potentialmore » areas, four have been chosen as representative by the authors. The presented comparative analysis was made by means of the VISA II computer code, developed by the V. Belton and SPV Software Products. The code was donated to the APO by the IAEA. The main objective of the paper is to initiate and facilitate further discussions on possible ways of evaluation and comparison of potential areas for sitting of radioactive waste repository in this country, as well as to provide additional contributions to the current site selection process in the Republic of Croatia.« less

Designing a web site for high school geoscience teaching in Iceland

NASA Astrophysics Data System (ADS)

Douglas, George R.

1998-08-01

The need to construct an earth science teaching site on the web prompted a survey of existing sites which, in spite of containing much of value, revealed many weaknesses in basic design, particularly as regards the organisation of links to information resources. Few web sites take into consideration the particular pedagogic needs of the high school science student and there has, as yet, been little serious attempt to exploit and organise the more outstanding advantages offered by the internet to science teaching, such as accessing real-time data. A web site has been constructed which, through basic design, enables students to access relevant information resources over a wide range of subjects and topics easily and rapidly, while at the same time performing an instructional role in how to handle both on-line and off-line resources. Key elements in the design are selection and monitoring by the teacher, task oriented pages and the use of the Dewey decimal classification system. The intention is to increase gradually the extent to which most teaching tasks are carried out via the web pages, in the belief that they can become an efficient central point for all the earth science curriculum.

Evaluation of the Significance of Starch Surface Binding Sites on Human Pancreatic α-Amylase.

PubMed

Zhang, Xiaohua; Caner, Sami; Kwan, Emily; Li, Chunmin; Brayer, Gary D; Withers, Stephen G

2016-11-01

Starch provides the major source of caloric intake in many diets. Cleavage of starch into malto-oligosaccharides in the gut is catalyzed by pancreatic α-amylase. These oligosaccharides are then further cleaved by gut wall α-glucosidases to release glucose, which is absorbed into the bloodstream. Potential surface binding sites for starch on the pancreatic amylase, distinct from the active site of the amylase, have been identified through X-ray crystallographic analyses. The role of these sites in the degradation of both starch granules and soluble starch was probed by the generation of a series of surface variants modified at each site to disrupt binding. Kinetic analysis of the binding and/or cleavage of substrates ranging from simple maltotriosides to soluble starch and insoluble starch granules has allowed evaluation of the potential role of each such surface site. In this way, two key surface binding sites, on the same face as the active site, are identified. One site, containing a pair of aromatic residues, is responsible for attachment to starch granules, while a second site featuring a tryptophan residue around which a malto-oligosaccharide wraps is shown to heavily influence soluble starch binding and hydrolysis. These studies provide insights into the mechanisms by which enzymes tackle the degradation of largely insoluble polymers and also present some new approaches to the interrogation of the binding sites involved.

Single-molecule resolution of protein dynamics on polymeric membrane surfaces: the roles of spatial and population heterogeneity.

PubMed

Langdon, Blake B; Mirhossaini, Roya B; Mabry, Joshua N; Sriram, Indira; Lajmi, Ajay; Zhang, Yanxia; Rojas, Orlando J; Schwartz, Daniel K

2015-02-18

Although polymeric membranes are widely used in the purification of protein pharmaceuticals, interactions between biomolecules and membrane surfaces can lead to reduced membrane performance and damage to the product. In this study, single-molecule fluorescence microscopy provided direct observation of bovine serum albumin (BSA) and human monoclonal antibody (IgG) dynamics at the interface between aqueous buffer and polymeric membrane materials including regenerated cellulose and unmodified poly(ether sulfone) (PES) blended with either polyvinylpyrrolidone (PVP), polyvinyl acetate-co-polyvinylpyrrolidone (PVAc-PVP), or polyethylene glycol methacrylate (PEGM) before casting. These polymer surfaces were compared with model surfaces composed of hydrophilic bare fused silica and hydrophobic trimethylsilane-coated fused silica. At extremely dilute protein concentrations (10(-3)-10(-7) mg/mL), protein surface exchange was highly dynamic with protein monomers desorbing from the surface within ∼1 s after adsorption. Protein oligomers (e.g., nonspecific dimers, trimers, or larger aggregates), although less common, remained on the surface for 5 times longer than monomers. Using newly developed super-resolution methods, we could localize adsorption sites with ∼50 nm resolution and quantify the spatial heterogeneity of the various surfaces. On a small anomalous subset of the adsorption sites, proteins adsorbed preferentially and tended to reside for significantly longer times (i.e., on "strong" sites). Proteins resided for shorter times overall on surfaces that were more homogeneous and exhibited fewer strong sites (e.g., PVAc-PVP/PES). We propose that strong surface sites may nucleate protein aggregation, initiated preferentially by protein oligomers, and accelerate ultrafiltration membrane fouling. At high protein concentrations (0.3-1.0 mg/mL), fewer strong adsorption sites were observed, and surface residence times were reduced. This suggests that at high concentrations, adsorbed proteins block strong sites from further protein adsorption. Importantly, this demonstrates that strong binding sites can be modified by changing solution conditions. Membrane surfaces are intrinsically heterogeneous; by employing single-molecule techniques, we have provided a new framework for understanding protein interactions with such surfaces.

Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO2 (101) surface; a DFT study

NASA Astrophysics Data System (ADS)

Rafique, Muhammad; Shuai, Yong; Hassan, Muhammad

2017-08-01

This paper illustrates the study of stable structural, electronic and optical properties of carbon mono oxide (CO) molecule adsorbed on pure anatase TiO2 (101) surface and CO molecule adsorbed on defective anatase TiO2 (101) surface containing oxygen (O) atom subsurface vacancy using first-principles study calculations based on density functional theory (DFT) method. A foreign molecule CO was added in the interstitial space of anatase TiO2 (101) surface. It was observed that, adsorption of CO molecule is not favorable on pure anatase TiO2 (101) surface, however adsorption process is improved when subsurface contains O atom vacancy defect. In case of anatase TiO2 (101) surface containing subsurface vacancy, adsorption process is exothermic, resulting in stable structures. The adsorption energies calculated for CO molecules adsorbed at O2c site, at defect site and at Ti5c site of anatase surface containing subsurface O vacancy are 0.16 eV (at O2c), 0.32 eV (at defect site) and 0.43 eV (at Ti5c) site. DOS and PDOS plots are calculated for all the structures. Results indicated that CO molecule adsorption introduces surface states at the Fermi energy level (EF) as shown in partial density of states (PDOS) plots. The dielectric matrix and absorption coefficient (α) for defective anatase TiO2 (101) surface, CO adsorbed at O2c site, at defect site and at Ti5C site of anatase TiO2 (101) surface containing O atom subsurface vacancy has been calculated within the random phase approximation (RPA) using VASP (Vienna ab-initio simulation package) code. It was observed that upon CO adsorption at defective anatase surface, real and imaginary dielectric function peaks were shifted towards lower energy level and a small absorption peak was observed at 1.1 eV energy level which is not present in case of defective anatase (101) surface. CO adsorption produces a red shift in the absorption spectrum of anatase TiO2 (101) surface containing subsurface O atom vacancy.

Formation of C-C and C-O bonds and oxygen removal in reactions of alkanediols, alkanols, and alkanals on copper catalysts.

PubMed

Sad, María E; Neurock, Matthew; Iglesia, Enrique

2011-12-21

This study reports evidence for catalytic deoxygenation of alkanols, alkanals, and alkanediols on dispersed Cu clusters with minimal use of external H(2) and with the concurrent formation of new C-C and C-O bonds. These catalysts selectively remove O-atoms from these oxygenates as CO or CO(2) through decarbonylation or decarboxylation routes, respectively, that use C-atoms present within reactants or as H(2)O using H(2) added or formed in situ from CO/H(2)O mixtures via water-gas shift. Cu catalysts fully convert 1,3-propanediol to equilibrated propanol-propanal intermediates that subsequently form larger oxygenates via aldol-type condensation and esterification routes without detectable involvement of the oxide supports. Propanal-propanol-H(2) equilibration is mediated by their chemisorption and interconversion at surfaces via C-H and O-H activation and propoxide intermediates. The kinetic effects of H(2), propanal, and propanol pressures on turnover rates, taken together with measured selectivities and the established chemical events for base-catalyzed condensation and esterification reactions, indicate that both reactions involve kinetically relevant bimolecular steps in which propoxide species, acting as the base, abstract the α-hydrogen in adsorbed propanal (condensation) or attack the electrophilic C-atom at its carbonyl group (esterification). These weakly held basic alkoxides render Cu surfaces able to mediate C-C and C-O formation reactions typically catalyzed by basic sites inherent in the catalyst, instead of provided by coadsorbed organic moieties. Turnover rates for condensation and esterification reactions decrease with increasing Cu dispersion, because low-coordination corner and edge atoms prevalent on small clusters stabilize adsorbed intermediates and increase the activation barriers for the bimolecular kinetically relevant steps required for both reactions. © 2011 American Chemical Society

pH-Dependence of Binding Constants and Desorption Rates of Phosphonate- and Hydroxamate-Anchored [Ru(bpy)3]2+ on TiO2 and WO3.

PubMed

Esarey, Samuel L; Bartlett, Bart M

2018-04-17

The binding constants and rate constants for desorption of the modified molecular dye [Ru(bpy) 3 ] 2+ anchored by either phosphonate or hydroxamate on the bipyridine ligand to anatase TiO 2 and WO 3 have been measured. In aqueous media at pH 1-10, repulsive electrostatic interactions between the negatively charged anchor and the negatively charged surface govern phosphonate desorption under neutral and basic conditions for TiO 2 anatase due to the high acidity of phosphonic acid (p K a,4 = 5.1). In contrast, the lower acidity of hydroxamate (p K a,1 = 6.5, p K a,2 = 9.1) leads to little change in adsorption/desorption properties as a function of pH from 1 to 7. The binding constant for hydroxamate is 10 3 in water, independent of pH in this range. These results are true for WO 3 as well, but are not reported at pH > 4 due to its Arrhenius acidity. Kinetics for desorption as a function of pH are reported, with a proposed mechanism for phosphonate desorption at high pH being the electrostatic repulsion of negative charges between the surface and the anionic anchor. Further, the hydroxamic acid anchor itself is likely the site of quasi-reversible redox activity in [Ru(bpy) 2 (2,2'-bpy-4,4'-(C(O)N(OH)) 2 )] 2+ , which does not lead to any measurable deterioration of the complex within 2 h of dark cyclic voltammogram scans in aqueous media. These results posit phosphonate as the preferred anchoring group under acidic conditions and hydroxamate for neutral/basic conditions.

Lanthanum-promoted copper-based hydrotalcites derived mixed oxides for NO{sub x} adsorption, soot combustion and simultaneous NO{sub x}-soot removal

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

Wang, Zhongpeng; Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR; Yan, Xiaotong

Graphical abstract: - Highlights: • The addition of La in Cu-based oxides increased the types of active oxygen. • NO{sub x} adsorption, soot oxidation and simultaneous NO{sub x}-soot removal were enhanced. • The possible catalytic mechanism was studied via in situ FTIR analysis. • Soot oxidation was promoted by the NO{sub 2} intermediate. - Abstract: La-promoted Cu-based hydrotalcites derived mixed oxides were prepared and their catalytic activities for NO{sub x} adsorption, soot oxidation, and simultaneous NO{sub x}-soot removal were investigated. The catalysts were characterized by XRD, DTG, BET, FTIR, H2-TPR, TPD and TPO techniques. The oxides catalysts exhibited mesoporous propertiesmore » with specific surface area of 45–160 m{sup 2}/g. The incorporation of La and Cu decreased the amount of basic sites due to the large decrease in surface areas. Under O{sub 2} atmosphere, La incorporation is dominant for soot oxidation activity, while Cu favors high selectivity to CO{sub 2} formation. A synergetic effect between La and Cu for catalyzed soot oxidation lies in the improved redox property and suitable basicity. The presence of NO in O{sub 2} significantly promoted soot oxidation on the catalysts with the ignition temperature decreased to about 300 °C. In O{sub 2}/NO atmosphere, NO{sub 2} acts as an intermediate which oxidizes soot to CO{sub 2} at a lower temperature with itself reduced to NO or N{sub 2}, contributing to the high catalytic performance in simultaneous removal of NO{sub x} and soot.« less

Martian soil stratigraphy and rock coatings observed in color-enhanced Viking Lander images

NASA Technical Reports Server (NTRS)

Strickland, E. L., III

1979-01-01

Subtle color variations of martian surface materials were enhanced in eight Viking Lander (VL) color images. Well-defined soil units recognized at each site (six at VL-1 and four at VL-2), are identified on the basis of color, texture, morphology, and contact relations. The soil units at the Viking 2 site form a well-defined stratigraphic sequence, whereas the sequence at the Viking 1 site is only partially defined. The same relative soil colors occur at the two sites, suggesting that similar soil units are widespread on Mars. Several types of rock surface materials can be recognized at the two sites; dark, relatively 'blue' rock surfaces are probably minimally weathered igneous rock, whereas bright rock surfaces, with a green/(blue + red) ratio higher than that of any other surface material, are interpreted as a weathering product formed in situ on the rock. These rock surface types are common at both sites. Soil adhering to rocks is common at VL-2, but rare at VL-1. The mechanism that produces the weathering coating on rocks probably operates planet-wide.

Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites

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

Liu, Da-Jiang; Thiel, Patricia A.

We present an extensive density functional theory (DFT) study of adsorption site energetics for oxygen and sulfur adsorbed on two vicinal surfaces of Cu and Ag, with the goal of identifying the most stable adsorption site(s), identifying trends and common themes, and comparing with experimental work in the literature where possible. We also present benchmark calculations for adsorption on the flat (111) and (100) surfaces. The first vicinal surface is the (211), and results are similar for both metals. Here, we find that the step-doubling reconstruction is favored with both adsorbates and is driven by the creation of a specialmore » stable fourfold hollow (4fh) site at the reconstructed step. Zig-zag chain structures consisting of X–M–X units (X = chalcogen, M = metal) at the step edge are considered, in which the special 4fh site is partially occupied. The zig-zag configuration is energetically competitive for oxygen but not sulfur. DFT results for oxygen agree with experiment in terms of the stability of the reconstruction, but contradict the original site assignment. The second vicinal surface is the (410), where again results are similar for both metals. For oxygen, DFT predicts that step sites are filled preferentially even at lowest coverage, followed by terrace sites, consistent with the experiment. For sulfur, in contrast, DFT predicts that terrace sites fill first. Oxygen forms O–M–O rows on the top edge of the step, where it occupies incomplete 4fh sites. This resolves an experimental ambiguity in the site assignment. Finally, for both the (211) and (410) surfaces, the interaction energy that stabilizes the X–M–X chain or row correlates with the linearity of the X–M–X unit, which may explain key differences between oxygen and sulfur.« less

Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites

DOE PAGES

Liu, Da-Jiang; Thiel, Patricia A.

2018-03-28

We present an extensive density functional theory (DFT) study of adsorption site energetics for oxygen and sulfur adsorbed on two vicinal surfaces of Cu and Ag, with the goal of identifying the most stable adsorption site(s), identifying trends and common themes, and comparing with experimental work in the literature where possible. We also present benchmark calculations for adsorption on the flat (111) and (100) surfaces. The first vicinal surface is the (211), and results are similar for both metals. Here, we find that the step-doubling reconstruction is favored with both adsorbates and is driven by the creation of a specialmore » stable fourfold hollow (4fh) site at the reconstructed step. Zig-zag chain structures consisting of X–M–X units (X = chalcogen, M = metal) at the step edge are considered, in which the special 4fh site is partially occupied. The zig-zag configuration is energetically competitive for oxygen but not sulfur. DFT results for oxygen agree with experiment in terms of the stability of the reconstruction, but contradict the original site assignment. The second vicinal surface is the (410), where again results are similar for both metals. For oxygen, DFT predicts that step sites are filled preferentially even at lowest coverage, followed by terrace sites, consistent with the experiment. For sulfur, in contrast, DFT predicts that terrace sites fill first. Oxygen forms O–M–O rows on the top edge of the step, where it occupies incomplete 4fh sites. This resolves an experimental ambiguity in the site assignment. Finally, for both the (211) and (410) surfaces, the interaction energy that stabilizes the X–M–X chain or row correlates with the linearity of the X–M–X unit, which may explain key differences between oxygen and sulfur.« less

Carbon and energy fluxes in cropland ecosystems: a model-data comparison

USGS Publications Warehouse

Lokupitiya, E.; Denning, A. Scott; Schaefer, K.; Ricciuto, D.; Anderson, R.; Arain, M. A.; Baker, I.; Barr, A. G.; Chen, G.; Chen, J.M.; Ciais, P.; Cook, D.R.; Dietze, M.C.; El Maayar, M.; Fischer, M.; Grant, R.; Hollinger, D.; Izaurralde, C.; Jain, A.; Kucharik, C.J.; Li, Z.; Liu, S.; Li, L.; Matamala, R.; Peylin, P.; Price, D.; Running, S. W.; Sahoo, A.; Sprintsin, M.; Suyker, A.E.; Tian, H.; Tonitto, Christina; Torn, M.S.; Verbeeck, Hans; Verma, S.B.; Xue, Y.

2016-01-01

Croplands are highly productive ecosystems that contribute to land–atmosphere exchange of carbon, energy, and water during their short growing seasons. We evaluated and compared net ecosystem exchange (NEE), latent heat flux (LE), and sensible heat flux (H) simulated by a suite of ecosystem models at five agricultural eddy covariance flux tower sites in the central United States as part of the North American Carbon Program Site Synthesis project. Most of the models overestimated H and underestimated LE during the growing season, leading to overall higher Bowen ratios compared to the observations. Most models systematically under predicted NEE, especially at rain-fed sites. Certain crop-specific models that were developed considering the high productivity and associated physiological changes in specific crops better predicted the NEE and LE at both rain-fed and irrigated sites. Models with specific parameterization for different crops better simulated the inter-annual variability of NEE for maize-soybean rotation compared to those models with a single generic crop type. Stratification according to basic model formulation and phenological methodology did not explain significant variation in model performance across these sites and crops. The under prediction of NEE and LE and over prediction of H by most of the models suggests that models developed and parameterized for natural ecosystems cannot accurately predict the more robust physiology of highly bred and intensively managed crop ecosystems. When coupled in Earth System Models, it is likely that the excessive physiological stress simulated in many land surface component models leads to overestimation of temperature and atmospheric boundary layer depth, and underestimation of humidity and CO2 seasonal uptake over agricultural regions.

Autonomous, Full-Time Cloud Profiling at Arm Sites with Micro Pulse Lidar

NASA Technical Reports Server (NTRS)

Spinhirne, James D.; Campbell, James R.; Hlavka, Dennis L.; Scott, V. Stanley; Flynn, Connor J.

2000-01-01

Since the early 1990's technology advances permit ground based lidar to operate full time and profile all significant aerosol and cloud structure of the atmosphere up to the limit of signal attenuation. These systems are known as Micro Pulse Lidars (MPL), as referenced by Spinhirne (1993), and were first in operation at DOE Atmospheric Radiation Measurement (ARM) sites. The objective of the ARM program is to improve the predictability of climate change, particularly as it relates to cloud-climate feedback. The fundamental application of the MPL systems is towards the detection of all significant hydrometeor layers, to the limit of signal attenuation. The heating and cooling of the atmosphere are effected by the distribution and characteristics of clouds and aerosol concentration. Aerosol and cloud retrievals in several important areas can only be adequately obtained with active remote sensing by lidar. For cloud cover, the height and related emissivity of thin clouds and the distribution of base height for all clouds are basic parameters for the surface radiation budget, and lidar is essetial for accurate measurements. The ARM MPL observing network represents the first long-term, global lidar study known within the community. MPL systems are now operational at four ARM sites. A six year data set has been obtained at the original Oklahoma site, and there are several years of observations at tropical and artic sites. Observational results include cloud base height distributions and aerosol profiles. These expanding data sets offer a significant new resource for cloud, aerosol and atmospheric radiation analysis. The nature of the data sets, data processing algorithms, derived parameters and application results are presented.

Structural Basis for the Recognition of Tyrosine-based Sorting Signals by the μ3A Subunit of the AP-3 Adaptor Complex*

PubMed Central

Mardones, Gonzalo A.; Burgos, Patricia V.; Lin, Yimo; Kloer, Daniel P.; Magadán, Javier G.; Hurley, James H.; Bonifacino, Juan S.

2013-01-01

Tyrosine-based signals fitting the YXXØ motif mediate sorting of transmembrane proteins to endosomes, lysosomes, the basolateral plasma membrane of polarized epithelial cells, and the somatodendritic domain of neurons through interactions with the homologous μ1, μ2, μ3, and μ4 subunits of the corresponding AP-1, AP-2, AP-3, and AP-4 complexes. Previous x-ray crystallographic analyses identified distinct binding sites for YXXØ signals on μ2 and μ4, which were located on opposite faces of the proteins. To elucidate the mode of recognition of YXXØ signals by other members of the μ family, we solved the crystal structure at 1.85 Å resolution of the C-terminal domain of the μ3 subunit of AP-3 (isoform A) in complex with a peptide encoding a YXXØ signal (SDYQRL) from the trans-Golgi network protein TGN38. The μ3A C-terminal domain consists of an immunoglobulin-like β-sandwich organized into two subdomains, A and B. The YXXØ signal binds in an extended conformation to a site on μ3A subdomain A, at a location similar to the YXXØ-binding site on μ2 but not μ4. The binding sites on μ3A and μ2 exhibit similarities and differences that account for the ability of both proteins to bind distinct sets of YXXØ signals. Biochemical analyses confirm the identification of the μ3A site and show that this protein binds YXXØ signals with 14–19 μm affinity. The surface electrostatic potential of μ3A is less basic than that of μ2, in part explaining the association of AP-3 with intracellular membranes having less acidic phosphoinositides. PMID:23404500

Structural basis for the recognition of tyrosine-based sorting signals by the μ3A subunit of the AP-3 adaptor complex.

PubMed

Mardones, Gonzalo A; Burgos, Patricia V; Lin, Yimo; Kloer, Daniel P; Magadán, Javier G; Hurley, James H; Bonifacino, Juan S

2013-03-29

Tyrosine-based signals fitting the YXXØ motif mediate sorting of transmembrane proteins to endosomes, lysosomes, the basolateral plasma membrane of polarized epithelial cells, and the somatodendritic domain of neurons through interactions with the homologous μ1, μ2, μ3, and μ4 subunits of the corresponding AP-1, AP-2, AP-3, and AP-4 complexes. Previous x-ray crystallographic analyses identified distinct binding sites for YXXØ signals on μ2 and μ4, which were located on opposite faces of the proteins. To elucidate the mode of recognition of YXXØ signals by other members of the μ family, we solved the crystal structure at 1.85 Å resolution of the C-terminal domain of the μ3 subunit of AP-3 (isoform A) in complex with a peptide encoding a YXXØ signal (SDYQRL) from the trans-Golgi network protein TGN38. The μ3A C-terminal domain consists of an immunoglobulin-like β-sandwich organized into two subdomains, A and B. The YXXØ signal binds in an extended conformation to a site on μ3A subdomain A, at a location similar to the YXXØ-binding site on μ2 but not μ4. The binding sites on μ3A and μ2 exhibit similarities and differences that account for the ability of both proteins to bind distinct sets of YXXØ signals. Biochemical analyses confirm the identification of the μ3A site and show that this protein binds YXXØ signals with 14-19 μm affinity. The surface electrostatic potential of μ3A is less basic than that of μ2, in part explaining the association of AP-3 with intracellular membranes having less acidic phosphoinositides.

Carbon and energy fluxes in cropland ecosystems: a model-data comparison

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

Lokupitiya, E.; Denning, A. S.; Schaefer, K.

2016-06-03

Croplands are highly productive ecosystems that contribute to land–atmosphere exchange of carbon, energy, and water during their short growing seasons. We evaluated and compared net ecosystem exchange (NEE), latent heat flux (LE), and sensible heat flux (H) simulated by a suite of ecosystem models at five agricultural eddy covariance flux tower sites in the central United States as part of the North American Carbon Program Site Synthesis project. Most of the models overestimated H and underestimated LE during the growing season, leading to overall higher Bowen ratios compared to the observations. Most models systematically under predicted NEE, especially at rain-fedmore » sites. Certain crop-specific models that were developed considering the high productivity and associated physiological changes in specific crops better predicted the NEE and LE at both rain-fed and irrigated sites. Models with specific parameterization for different crops better simulated the inter-annual variability of NEE for maize-soybean rotation compared to those models with a single generic crop type. Stratification according to basic model formulation and phenological methodology did not explain significant variation in model performance across these sites and crops. The under prediction of NEE and LE and over prediction of H by most of the models suggests that models developed and parameterized for natural ecosystems cannot accurately predict the more robust physiology of highly bred and intensively managed crop ecosystems. When coupled in Earth System Models, it is likely that the excessive physiological stress simulated in many land surface component models leads to overestimation of temperature and atmospheric boundary layer depth, and underestimation of humidity and CO 2 seasonal uptake over agricultural regions.« less

Reducing Multisensor Satellite Monthly Mean Aerosol Optical Depth Uncertainty: 1. Objective Assessment of Current AERONET Locations

NASA Technical Reports Server (NTRS)

Li, Jing; Li, Xichen; Carlson, Barbara E.; Kahn, Ralph A.; Lacis, Andrew A.; Dubovik, Oleg; Nakajima, Teruyuki

2016-01-01

Various space-based sensors have been designed and corresponding algorithms developed to retrieve aerosol optical depth (AOD), the very basic aerosol optical property, yet considerable disagreement still exists across these different satellite data sets. Surface-based observations aim to provide ground truth for validating satellite data; hence, their deployment locations should preferably contain as much spatial information as possible, i.e., high spatial representativeness. Using a novel Ensemble Kalman Filter (EnKF)- based approach, we objectively evaluate the spatial representativeness of current Aerosol Robotic Network (AERONET) sites. Multisensor monthly mean AOD data sets from Moderate Resolution Imaging Spectroradiometer, Multiangle Imaging Spectroradiometer, Sea-viewing Wide Field-of-view Sensor, Ozone Monitoring Instrument, and Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar are combined into a 605-member ensemble, and AERONET data are considered as the observations to be assimilated into this ensemble using the EnKF. The assessment is made by comparing the analysis error variance (that has been constrained by ground-based measurements), with the background error variance (based on satellite data alone). Results show that the total uncertainty is reduced by approximately 27% on average and could reach above 50% over certain places. The uncertainty reduction pattern also has distinct seasonal patterns, corresponding to the spatial distribution of seasonally varying aerosol types, such as dust in the spring for Northern Hemisphere and biomass burning in the fall for Southern Hemisphere. Dust and biomass burning sites have the highest spatial representativeness, rural and oceanic sites can also represent moderate spatial information, whereas the representativeness of urban sites is relatively localized. A spatial score ranging from 1 to 3 is assigned to each AERONET site based on the uncertainty reduction, indicating its representativeness level.

Effect of Cation Ordering on the Performance and Chemical Stability of Layered Double Perovskite Cathodes

PubMed Central

Bernuy-Lopez, Carlos; Rioja-Monllor, Laura; Nakamura, Takashi; Ricote, Sandrine; O’Hayre, Ryan; Amezawa, Koji; Einarsrud, Mari-Ann

2018-01-01

The effect of A-site cation ordering on the cathode performance and chemical stability of A-site cation ordered LaBaCo2O5+δ and disordered La0.5Ba0.5CoO3−δ materials are reported. Symmetric half-cells with a proton-conducting BaZr0.9Y0.1O3−δ electrolyte were prepared by ceramic processing, and good chemical compatibility of the materials was demonstrated. Both A-site ordered LaBaCo2O5+δ and A-site disordered La0.5Ba0.5CoO3−δ yield excellent cathode performance with Area Specific Resistances as low as 7.4 and 11.5 Ω·cm2 at 400 °C and 0.16 and 0.32 Ω·cm2 at 600 °C in 3% humidified synthetic air respectively. The oxygen vacancy concentration, electrical conductivity, basicity of cations and crystal structure were evaluated to rationalize the electrochemical performance of the two materials. The combination of high-basicity elements and high electrical conductivity as well as sufficient oxygen vacancy concentration explains the excellent performance of both LaBaCo2O5+δ and La0.5Ba0.5CoO3−δ materials at high temperatures. At lower temperatures, oxygen-deficiency in both materials is greatly reduced, leading to decreased performance despite the high basicity and electrical conductivity. A-site cation ordering leads to a higher oxygen vacancy concentration, which explains the better performance of LaBaCo2O5+δ. Finally, the more pronounced oxygen deficiency of the cation ordered polymorph and the lower chemical stability at reducing conditions were confirmed by coulometric titration. PMID:29373541

Plasma treatment of polypropylene fabric for improved dyeability with soluble textile dyestuff

NASA Astrophysics Data System (ADS)

Yaman, Necla; Özdoğan, Esen; Seventekin, Necdet; Ayhan, Hakan

2009-05-01

The impact of plasma treatment parameters on the surface morphology, physical-chemical, and dyeing properties of polypropylene (PP) using anionic and cationic dyestuffs were investigated in this study. Argon plasma treatment was used to activate PP fabric surfaces. Activated surfaces were grafted different compounds: 6-aminohexanoic acid (6-AHA), acrylic acid (AA), ethylendiamine (EDA), acryl amide (AAMID) and hexamethyldisiloxane (HMDS). Compounds were applied after the plasma treatment and the acid and basic dyeing result that was then observed, were quite encouraging in certain conditions. The possible formed oxidizing groups were emphasized by FTIR and ATR and the surface morphology of plasma treated PP fibers was also investigated with scanning electron microscopy (SEM). PP fabric could be dyed with acid and basic dyestuffs after only plasma treatment and plasma induced grafting, and fastnesses of the dyed samples were satisfactory.

Charging of Basic Structural Shapes in a Simulated Lunar Environment

NASA Technical Reports Server (NTRS)

Craven, P.; Schneider, T.; Vaughn, J.; Wang, J.; Polansky, J.

2012-01-01

In order to understand the effect of the charging environment on and around structures on the lunar surface, we have exposed basic structural shapes to electrons and Vacuum Ultra-Violet (VUV) radiation. The objects were, in separate runs, isolated, grounded, and placed on dielectric surfaces. In this presentation, the effects of electron energy, VUV flux, and sample orientation, on the charging of the objects will be examined. The potential of each of the object surfaces was monitored in order to determine the magnitude of the ram and wake effects under different orientations relative to the incoming beams (solar wind). This is a part of, and complementary to, the study of the group at USC under Dr. J. Wang, the purpose of which is to model the effects of the charging environment on structures on the lunar surface.

Adsorption of dyes by ACs prepared from waste tyre reinforcing fibre. Effect of texture, surface chemistry and pH.

PubMed

Acevedo, Beatriz; Rocha, Raquel P; Pereira, Manuel F R; Figueiredo, José L; Barriocanal, Carmen

2015-12-01

This paper compares the importance of the texture and surface chemistry of waste tyre activated carbons in the adsorption of commercial dyes. The adsorption of two commercial dyes, Basic Astrazon Yellow 7GLL and Reactive Rifafix Red 3BN on activated carbons made up of reinforcing fibres from tyre waste and low-rank bituminous coal was studied. The surface chemistry of activated carbons was modified by means of HCl-HNO3 treatment in order to increase the number of functional groups. Moreover, the influence of the pH on the process was also studied, this factor being of great importance due to the amphoteric characteristics of activated carbons. The activated carbons made with reinforcing fibre and coal had the highest SBET, but the reinforcing fibre activated carbon samples had the highest mesopore volume. The texture of the activated carbons was not modified upon acid oxidation treatment, unlike their surface chemistry which underwent considerable modification. The activated carbons made with a mixture of reinforcing fibre and coal experienced the largest degree of oxidation, and so had more acid surface groups. The adsorption of reactive dye was governed by the mesoporous volume, whilst surface chemistry played only a secondary role. However, the surface chemistry of the activated carbons and dispersive interactions played a key role in the adsorption of the basic dye. The adsorption of the reactive dye was more favored in a solution of pH 2, whereas the basic dye was adsorbed more easily in a solution of pH 12. Copyright © 2015 Elsevier Inc. All rights reserved.

Selective adsorption of toluene-3,4-dithiol on Si(553)-Au surfaces

NASA Astrophysics Data System (ADS)

Suchkova, Svetlana; Hogan, Conor; Bechstedt, Friedhelm; Speiser, Eugen; Esser, Norbert

2018-01-01

The adsorption of small organic molecules onto vicinal Au-stabilized Si(111) surfaces is shown to be a versatile route towards controlled growth of ordered organic-metal hybrid one-dimensional nanostructures. Density functional theory is used to investigate the site-specific adsorption of toluene-3,4-dithiol (TDT) molecules onto the clean Si(553)-Au surface and onto a co-doped surface whose steps are passivated by hydrogen. We find that the most reactive sites involve bonding to silicon at the step edge or on the terraces, while gold sites are relatively unfavored. H passivation and TDT adsorption both induce a controlled charge redistribution within the surface layer, causing the surface metallicity, electronic structure, and chemical reactivity of individual adsorption sites to be substantially altered.

Variability in goethite surface site density: evidence from proton and carbonate sorption.

PubMed

Villalobos, Mario; Trotz, Maya A; Leckie, James O

2003-12-15

Goethite is a representative iron oxide in natural environments due to its abundance and thermodynamic stability and may be responsible for many surface-mediated processes, including ion retention and mobility in aqueous settings. A large variability in morphologies and specific surface areas of goethite crystals exists but little work has been done to compare surface reactivity between them. The present work offers experimental evidence for the existence of an inverse relationship between sorption capacity for protons and carbonate ions and specific surface area of goethite for three synthetic goethite preparations spanning surface area differences by a factor of 2. An explanation for this was found by assuming a variable reactive site density between preparations in direct relationship to their sorption capacity based on congruency of carbonate sorption computed on a per-site basis. Previous evidence of maximum sorption capacities supports this explanation, and site density ratios between the goethites studied here were obtained. Triple layer surface complexation modeling was successful in describing adsorption data for all goethite preparations using equal stoichiometries. A new formulation of standard state for activities of surface species based on a 1.0 mole fraction of sites on the solid allowed transformation of the conventional molar concentration-based affinity constants to values based on site occupancy. In this fashion, by applying the appropriate site density ratios, a single set of affinity constant values was found that described accurately the adsorption data for all preparations.

A periodic DFT study of ammonia adsorption on the V2O5 (001), V2O5 (010) and V2O5 (100) surfaces: Lewis versus Brönsted acid sites

NASA Astrophysics Data System (ADS)

Yao, Huichao; Chen, Yu; Wei, Yuechang; Zhao, Zhen; Liu, Zhichang; Xu, Chunming

2012-11-01

The adsorption of ammonia at Brönsted and Lewis acid sites on three low-index (001), (010) and (100) surfaces of V2O5 catalyst was investigated using density functional theory (DFT) method. Three levels of surface relaxation periodic models including top single layer relaxation (S-model), moderately deeper relaxation (M-model) and full relaxation model (F-model) were applied to examine the effect of the surface relaxation on the binding structures and adsorption energies. The results of calculations showed that on the saturated basal plane V2O5 (001), ammonia adsorption at the Brönsted acid sites (VOH) is energetically more favorable. On unsaturated (010) and (100) surfaces, ammonia is adsorbed strongly on both Brönsted (VOH) and Lewis acid sites (V). Surface relaxations have no influence on ammonia adsorption on saturated (001) surface, while a strong dependence on the relaxation models is observed for NH3-adsorption energies on (010) and (100) surfaces, especially at the Lewis acid sites of both side planes. When complete relaxation considered (F-model), ammonia adsorption on the Lewis acid sites (V) dominates for side planes (010) and (100). In the presence of VOH as neighbor, the ammonia adsorption at V sites is however weakened significantly due to steric hindrance. Hydrogen bonds may play a role, although not determining one, in the respect of the adsorption of ammonia on (010) and (100) surfaces. Moderate relaxation and full relaxation are absolutely necessary for the description of both H and NH3 adsorption on unsaturated (100) and (010) surfaces, respectively.

New England salt marsh pools: A quantitative analysis of geomorphic and geographic features

USGS Publications Warehouse

Adamowicz, S.C.; Roman, C.T.

2005-01-01

New England salt marsh pools provide important wildlife habitat and are the object of on-going salt marsh restoration projects; however, they have not been quantified in terms of their basic geomorphic and geographic traits. An examination of 32 ditched and unditched salt marshes from the Connecticut shore of Long Island Sound to southern Maine, USA, revealed that pools from ditched and unditched marshes had similar average sizes of about 200 m2, averaged 29 cm in depth, and were located about 11 m from the nearest tidal flow. Unditched marshes had 3 times the density (13 pools/ha), 2.5 times the pool coverage (83 m pool/km transect), and 4 times the total pool surface area per hectare (913 m2 pool/ha salt marsh) of ditched sites. Linear regression analysis demonstrated that an increasing density of ditches (m ditch/ha salt marsh) was negatively correlated with pool density and total pool surface area per hectare. Creek density was positively correlated with these variables. Thus, it was not the mere presence of drainage channels that were associated with low numbers of pools, but their type (ditch versus creek) and abundance. Tidal range was not correlated with pool density or total pool surface area, while marsh latitude had only a weak relationship to total pool surface area per hectare. Pools should be incorporated into salt marsh restoration planning, and the parameters quantified here may be used as initial design targets.

Effect of Organic Capping Layers over Monodisperse Platinum Nanoparticles upon Activity for Ethylene Hydrogenation and Carbon Monoxide Oxidation

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

Kuhn, John N.; Tsung, Chia-Kuang; Huang, Wenyu

2009-03-24

The influence of oleylamine (OA), trimethyl tetradecyl ammonium bromide (TTAB), and polyvinlypyrrolidone (PVP) capping agents upon the catalytic properties of Pt/silica catalysts was evaluated. Pt nanoparticles that were 1.5 nm in size were synthesized by the same procedure (ethylene glycol reduction under basic conditions) with the various capping agents added afterward for stabilization. Before examining catalytic properties for ethylene hydrogenation and CO oxidation, the Pt NPs were deposited onto mesoporous silica (SBA-15) supports and characterized by transmission electron microscopy (TEM), H{sub 2} chemisorption, and elemental analysis (ICP-MS). PVP- and TTAB-capped Pt yielded mass-normalized reaction rates that decreased with increasing pretreatmentmore » temperature, and this trend was attributed to the partial coverage of the Pt surface with decomposition products from the organic capping agent. Once normalized to the Pt surface area, similar intrinsic activities were obtained regardless of the pretreatment temperature, which indicated no influence on the nature of the active sites. Consequently, a chemical probe technique using intrinsic activity for ethylene hydrogenation was demonstrated as an acceptable method for estimating the metallic surface areas of Pt. Amine (OA) capping exhibited a detrimental influence on the catalytic properties as severe deactivation and low activity were observed for ethylene hydrogenation and CO oxidation, respectively. These results were consistent with amine groups being strong poisons for Pt surfaces, and revealed the need to consider the effects of capping agents on the catalytic properties.« less

A composite lithology log while drilling

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

Tannenbaum, E.; Sutcliffe, B.; Franks, A.

A new method for producing a computerized composite lithology log (CLL) while drilling by integrating MWD (measurement while drilling) and surface data is described. At present, lithology logs are produced at the well site by mud loggers. They provide basic description and relative amounts of lithologies. Major difficulties are encountered in relating the cuttings to their original formations due to mixing in the drilling mud while transporting to the surface, sloughing shales, flawed sampling, etc. This results in a poor control on the stratigraphic sequence and on the depth of formation boundaries. A composite log can be produced after drillingmore » this additional inputs such as wireline, petrography, and paleontology. This process is labor intensive and expensive. The CLL integrates three types of data (MWD mechanical, MWD geophysical, and surface cuttings) acquired during drilling, in three time stages: (1) Real Time. MWD drilling mechanical data including the rate of penetration and the downhole torque. This stage would provide bed boundaries and some inferred lithology. This would assist the driller with immediate drilling decisions and determine formation tops for coring, casing point, and correlation. (2) MWD Time. Recomputation of the above by adding MWD geophysical data (gamma-ray, resistivity, neutron-density). This stage would upgrade the lithology inference, and give higher resolution to bed boundaries, (3) Lag Time. Detailed analysis of surface cuttings to confirm the inferred lithologies. This last input results in a high-quality CLL with accurate lithologies and bed boundaries.« less

Extended T-index models for glacier surface melting: a case study from Chorabari Glacier, Central Himalaya, India

NASA Astrophysics Data System (ADS)

Karakoti, Indira; Kesarwani, Kapil; Mehta, Manish; Dobhal, D. P.

2016-10-01

Two enhanced temperature-index (T-index) models are proposed by incorporating meteorological parameters viz. relative humidity, wind speed and net radiation. The models are an attempt to explore different climatic variables other than temperature affecting glacier surface melting. Weather data were recorded at Chorabari Glacier using an automatic weather station during the summers of 2010 (July 10 to September 10) and 2012 (June 10 to October 25). The modelled surface melt is validated against the measured point surface melting at the snout. Performance of the developed models is evaluated by comparing with basic temperature-index model and is quantified through different efficiency criteria. The results suggest that proposed models yield considerable improvement in surface melt simulation . Consequently, the study reveals that glacier surface melt depends not only on temperature but also on weather parameters viz. relative humidity, wind speed and net radiation play a significant role in glacier surface melting. This approach provides a major improvement on basic temperature-index method and offers an alternative to energy balance model.

Internet access to research results: an evolving effort

Treesearch

Daniel L. Schmoldt; Matthew F. Winn; Philip A. Araman

2000-01-01

Since October 1995, our Research Work Unit of the US Forest Service has operated a Web site to disseminate research results. Initially, this took the form of basic information about the Unit's goals, organization, research problems, cooperators, etc. Over time the site has expanded to provide lists of available publications, abstracts of those publications,...

Frequently Asked Questions about ADHD and the Answers from the Internet.

ERIC Educational Resources Information Center

Loechler, Kathy

1999-01-01

Identifies useful Internet sites about attention-deficit hyperactivity disorder (ADHD) and the results of searching these sites to answer common questions concerning incidence of ADHD, basic information about Ritalin drug therapy, educational placement of students with ADHD, sources of information about special needs, and what parents can do at…

Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca(2+) -montmorillonite clay surfaces.

PubMed

Belzunces, Bastien; Hoyau, Sophie; Benoit, Magali; Tarrat, Nathalie; Bessac, Fabienne

2017-01-30

Atrazine, a pesticide belonging to the s-triazine family, is one of the most employed pesticides. Due to its negative impact on the environment, it has been forbidden within the European Union since 2004 but remains abundant in soils. For these reasons, its behavior in soils and water at the atomic scale is of great interest. In this article, we have investigated, using DFT, the adsorption of atrazine onto two different clay surfaces: a pyrophyllite clay and an Mg-substituted clay named montmorillonite, with Ca 2+ compensating cations on its surface. The calculations show that the atrazine molecule is physisorbed on the pyrophyllite surface, evidencing the necessity to use dispersion-corrected computational methods. The adsorption energies of atrazine on montmorillonite are two to three times larger than on pyrophyllite, depending on the adsorption pattern. The computed adsorption energy is of about -30 kcal mol -1 for the two most stable montmorillonite-atrazine studied isomers. For these complexes, the large adsorption energy is related to the strong interaction between the chlorine atom of the atrazine molecule and one of the Ca 2+ compensating cations of the clay surface. The structural modifications induced by the adsorption are localized: for the surface, close to substitutions and particularly below the Ca 2+ cations; in the molecule, around the chlorine atom when Ca 2+ interacts strongly with this basic site in a monodentate mode. This study shows the important role of the alkaline earth cations on the adsorption of atrazine on clays, suggesting that the atrazine pesticide retention will be significant in Ca 2+ -montmorillonite clays. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Lacritin and other new proteins of the lacrimal functional unit.

PubMed

McKown, Robert L; Wang, Ningning; Raab, Ronald W; Karnati, Roy; Zhang, Yinghui; Williams, Patricia B; Laurie, Gordon W

2009-05-01

The lacrimal functional unit (LFU) is defined by the 2007 International Dry Eye WorkShop as 'an integrated system comprising the lacrimal glands, ocular surface (cornea, conjunctiva and meibomian glands) and lids, and the sensory and motor nerves that connect them'. The LFU maintains a healthy ocular surface primarily through a properly functioning tear film that provides protection, lubrication, and an environment for corneal epithelial cell renewal. LFU cells express thousands of proteins. Over 200 new LFU proteins have been discovered in the last decade. Lacritin is a new LFU-specific growth factor in human tears that flows through ducts to target corneal epithelial cells on the ocular surface. When applied topically in rabbits, lacritin appears to increase the volume of basal tear secretion. Lacritin is one of only a handful of tear proteins preliminarily reported to be downregulated in blepharitis and in two dry eye syndromes. Computational analysis predicts an ordered C-terminal domain that binds the corneal epithelial cell surface proteoglycan syndecan-1 (SDC1) and is required for lacritin's low nanomolar mitogenic activity. The lacritin-binding site on the N-terminus of SDC1 is exposed by heparanase. Heparanase is constitutively expressed by the corneal epithelium and appears to be a normal constituent of tears. Binding triggers rapid signaling to downstream NFAT and mTOR. A wealth of other new proteins, originally designated as hypothetical when first identified by genomic sequencing, are expressed by the human LFU including: ALS2CL, ARHGEF19, KIAA1109, PLXNA1, POLG, WIPI1 and ZMIZ2. Their demonstrated or implied roles in human genetic disease or basic cellular functions are fuel for new investigation. Addressing topical areas in ocular surface physiology with new LFU proteins may reveal interesting new biological mechanisms and help get to the heart of ocular surface dysfunction.

Hydrogeologic controls of surface-water chemistry in the Adirondack region of New York State

USGS Publications Warehouse

Peters, N.E.; Driscoll, C.T.

1987-01-01

Relationships between surface-water discharge, water chemistry, and watershed geology were investigated to evaluate factors affecting the sensitivity of drainage waters in the Adirondack region of New York to acidification by atmospheric deposition. Instantaneous discharge per unit area was derived from relationships between flow and staff-gage readings at 10 drainage basins throughout the region. The average chemical composition of the waters was assessed from monthly samples collected from July 1982 through July 1984. The ratio of flow at the 50-percent exceedence level to the flow at the 95-percent exceedence level of flow duration was negatively correlated with mean values of alkalinity or acid-neutralizing capacity (ANC), sum of basic cations (SBC), and dissolved silica, for basins containing predominantly aluminosilicate minerals and little or no carbonate-bearing minerals. Low ratios are indicative of systems in which flow is predominately derived from surface- and ground-water storage, whereas high ratios are characteristic of watersheds with variable flow that is largely derived from surface runoff. In an evaluation of two representative surface-water sites, concentrations of ANC, SBC, and dissolved silica, derived primarily from soil mineral weathering reactions. decreased with increasing flow. Furthermore, the ANC was highest at low flow when the percentage of streamflow derived from ground water was maximum. As flow increased, the ANC decreased because the contribution of dilute surface runoff and lateral flow through the shallow acidic soil horizons to total flow increased. Basins having relatively high ground-water contributions to total flow, in general, have large deposits of thick till or stratified drift. A major factor controlling the sensitivity of these streams and lakes to acidification is the relative contribution of ground water to total discharge. ?? 1987 Martinus Nijhoff/Dr W. Junk Publishers.

Milk Thistle

MedlinePlus

... the liver: from basic research to clinical practice. World Journal of Gastroenterology. 2011;17(18):2288-2301. Milk Thistle. Natural Medicines Web site. Accessed at naturalmedicines.therapeuticresearch.com ...

Interaction of diamond (111)-(1 × 1) and (2 × 1) surfaces with OH: a first principles study.

PubMed

Stampfl, C; Derry, T E; Makau, N W

2010-12-01

The properties of hydroxyl groups on C(111)-(1 × 1) and reconstructed (2 × 1) surfaces at different sites and for various coverages are investigated using density functional theory. Out of the adsorption sites considered, i.e. face centred cubic, hexagonal close packed, on-top and bridge sites, the on-top site is the most stable for OH on the C(111)-(1 × 1) surface for all coverages. On the reconstructed (2 × 1) surface the on-top site is the preferred configuration. Adsorption of OH was not stable however at any site on the reconstructed C(111)-(2 × 1) relative to the (1 × 1) surface; thus adsorption of OH leads to the de-reconstruction of the former surface. Both the 0.5 and 1 monolayer (ML) coverages were able to lift the (2 × 1) surface reconstruction. Repulsion between the OH adsorbates on the (1 × 1) surface sets in for coverages greater than 0.5 ML. A general decrease in the work function with increasing OH coverage was observed on both the (1 × 1) and (2 × 1) surfaces relative to the values of their respective clean surfaces. Regarding the electronic structure, O 2p states on the reconstructed (2 × 1) surface are observed at around - 21, - 8.75 , - 5 and - 2.5 eV, while O 2s states are present at - 22.5 eV. On the (1 × 1) surface (for 0.33 ML in the on-top site), O 2p states occurred between - 8 and - 9 eV, - 5 and - 4 eV and at around - 2.5 eV. O 2s states are established between - 22.5 and - 21 eV. The valence band width is 21 eV, and a hybrid 2s/2p state that is characteristic of diamond is located at about 12.5 eV below the valence band minimum.

Oxygen adsorption on the Al₉Co₂(001) surface: first-principles and STM study.

PubMed

Villaseca, S Alarcón; Loli, L N Serkovic; Ledieu, J; Fournée, V; Gille, P; Dubois, J-M; Gaudry, E

2013-09-04

Atomic oxygen adsorption on a pure aluminum terminated Al9Co2(001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described. The preferential adsorption site is identified as a 'bridge' type site between the cluster entities exposed at the (001) surface termination. The Al-O bonding between the adsorbate and the substrate presents a covalent character, with s-p hybridization occurring between the states of the adsorbed oxygen atom and the aluminum atoms of the surface. The simulated STM image of the preferential adsorption site is in agreement with experimental observations. This work shows that oxygen adsorption generates important atomic relaxations of the topmost surface layer and that sub-surface cobalt atoms strongly influence the values of the adsorption energies. The calculated Al-O distances are in agreement with those reported in Al2O and Al2O3 oxides and for oxygen adsorption on Al(111).

Investigation of off-site airborne transport of lead from a superfund removal action site using lead isotope ratios and concentrations

USGS Publications Warehouse

Pribil, Michael J.; Maddaloni, Mark A.; Staiger, Kimberly; Wilson, Eric; Magriples, Nick; Ali, Mustafa; Santella, Dennis

2014-01-01

Lead (Pb) concentration and Pb isotopic composition of surface and subsurface soil samples were used to investigate the potential for off-site air transport of Pb from a former white Pb processing facility to neighboring residential homes in a six block area on Staten Island, NY. Surface and subsurface soil samples collected on the Jewett White Pb site were found to range from 1.122 to 1.138 for 206Pb/207Pb and 2.393 to 2.411 for 208Pb/207Pb. The off-site surface soil samples collected from residential backyards, train trestle, near site grass patches and background areas varied from 1.144 to 1.196 for 206Pb/207Pb and 2.427 to 2.464 for 208Pb/207Pb. Two soil samples collected along Richmond Terrace, where Jewett site soils accumulated after major rain events, varied from 1.136 to 1.147 for 206Pb/207Pb and 2.407 to 2.419 for 208Pb/207Pb. Lead concentration for on-site surface soil samples ranged from 450 to 8000 ug/g, on-site subsurface soil samples ranged from 90,000 to 240,000 ug/g and off-site samples varied from 380 to 3500 ug/g. Lead concentration and isotopic composition for the Staten Island off-site samples were similar to previously published data for other northeastern US cities and reflect re-suspension and re-mobilization of local accumulated Pb. The considerable differences in both the Pb isotopic composition and Pb concentration of on-site and off-site samples resulted in the ability to geochemically trace the transport of particulate Pb. Data in this study indicate minimal off-site surface transport of Pb from the Jewett site into the neighboring residential area.

Measuring groundwater-surface water interaction and its effect on wetland stream benthic productivity, Trout Lake watershed, northern Wisconsin, USA

USGS Publications Warehouse

Hunt, R.J.; Strand, M.; Walker, J.F.

2006-01-01

Measurements of groundwater-surface water exchange at three wetland stream sites were related to patterns in benthic productivity as part of the US Geological Survey's Northern Temperate Lakes-Water, Energy and Biogeochemical Budgets (NTL-WEBB) project. The three sites included one high groundwater discharge (HGD) site, one weak groundwater discharge (WGD) site, and one groundwater recharge (GR) site. Large upward vertical gradients at the HGD site were associated with smallest variation in head below the stream and fewest gradient reversals between the stream and the groundwater beneath the stream, and the stream and the adjacent streambank. The WGD site had the highest number of gradient reversals reflecting the average condition being closest to zero vertical gradient. The duration of groundwater discharge events was related to the amount of discharge, where the HGD site had the longest strong-gradient durations for both horizontal and vertical groundwater flow. Strong groundwater discharge also controlled transient temperature and chemical hyporheic conditions by limiting the infiltration of surface water. Groundwater-surface water interactions were related to highly significant patterns in benthic invertebrate abundance, taxonomic richness, and periphyton respiration. The HGD site abundance was 35% greater than in the WGD site and 53% greater than the GR site; richness and periphyton respiration were also significantly greater (p???0.001, 31 and 44%, respectively) in the HGD site than in the GR site. The WGD site had greater abundance (27%), richness (19%) and periphyton respiration (39%) than the GR site. This work suggests groundwater-surface water interactions can strongly influence benthic productivity, thus emphasizing the importance of quantitative hydrology for management of wetland-stream ecosystems in the northern temperate regions. ?? 2005 Elsevier B.V. All rights reserved.

A molecular model for ice nucleation and growth, attachment 1

NASA Technical Reports Server (NTRS)

Plummer, P. L. M.

1981-01-01

The quantum mechanical technique is used to study ionic, configurational, and impurity defects in the ice surface. In addition to static calculations of the energetics of the water monomer-ice surface interactions, molecular dynamics studies were initiated. The calculations of the monomer-ice surface interaction, molecular dynamics studies were initiated. The calculations of monomer-ice surface interactions indicate that many adsorption sites exist on the ice surfaces and that the barriers between bonding sites are relatively low. Bonding on the prism face of ice is preferentially above lattice sites.

Effect of Field Trip on Students' Academic Performance in Basic Technology in Ilorin Metropolis, Nigeria

ERIC Educational Resources Information Center

Amosa, Abdul Ganiyu Alasela; Ogunlade, Oyeronke Olufunmilola; Atobatele, Adunni Suliat

2015-01-01

The use of field trip in teaching and learning helps to bring about effective and efficient learning in Basic Technology. Field trip is a group excursion away from the normal education environment for firsthand experience of an historic site or place of special interest. This study therefore was geared towards finding out the effect of field trip…

Genetic variation in basic density and modulus of elasticity of coastal Douglas-fir.

Treesearch

G.R. Johnson; B.L. Gartner

2006-01-01

Douglas-fir trees from 39 open-pollinated families at four test locations were assessed to estimate heritability of modulus of elasticity (MOE) and basic density. Heritability estimates of MOE (across-site h = 0.55) were larger than those for total height (0.15) and diameter at breast height (DBH; 0.29), and similar to those for density (0.59)....

Washington State water quality temperature standards as related to reactor operation

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

Ballowe, J.W.

1968-08-14

The purpose of this report is to provide a basic working tool for determining the relationship between the allowable temperature increase within the Columbia River reach at the Hanford Site and the actual temperature increase as associated with various reactor operating modes. This basic tool can be utilized for day-to-day operating purposes or for the achievement of historical information.

Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model

USGS Publications Warehouse

Waite, T.D.; Davis, J.A.; Payne, T.E.; Waychunas, G.A.; Xu, N.

1994-01-01

A study of U(VI) adsorption by ferrihydrite was conducted over a wide range of U(VI) concentrations, pH, and at two partial pressures of carbon dioxide. A two-site (strong- and weak-affinity sites, FesOH and FewOH, respectively) surface complexation model was able to describe the experimental data well over a wide range of conditions, with only one species formed with each site type: an inner-sphere, mononuclear, bidentate complex of the type (FeO2)UO2. The existence of such a surface species was supported by results of uranium EXAFS spectroscopy performed on two samples with U(VI) adsorption density in the upper range observed in this study (10 and 18% occupancy of total surface sites). Adsorption data in the alkaline pH range suggested the existence of a second surface species, modeled as a ternary surface complex with UO2CO30 binding to a bidentate surface site. Previous surface complexation models for U(VI) adsorption have proposed surface species that are identical to the predominant aqueous species, e.g., multinuclear hydrolysis complexes or several U(VI)-carbonate complexes. The results demonstrate that the speciation of adsorbed U(VI) may be constrained by the coordination environment at the surface, giving rise to surface speciation for U(VI) that is significantly less complex than aqueous speciation.

Surface Warfare Officers Initial Training For Future Success

DTIC Science & Technology

2018-03-01

updating and creating learning modules and Surface Warfare Officer School (SWOS) staffing as well as weaknesses in the methodologies used for...and Surface Warfare Officer School (SWOS) staffing as well as weaknesses in the methodologies used for training. We conclude that the Basic Division... METHODOLOGY ....................................................................................9 1. Staff Interviews

Preliminary evaluation of magnitude and frequency of floods in selected small drainage basins in Ohio

USGS Publications Warehouse

Kolva, J.R.

1985-01-01

A previous study of flood magitudes and frequencies in Ohio concluded that existing regionalized flood equations may not be adequate for estimating peak flows in small basins that are heavily forested, surface mined, or located in northwestern Ohio. In order to provide a large data base for improving estimation of flood peaks in these basins, 30 crest-stage gages were installed in 1977, in cooperation with the Ohio Department of Transportation, to provide a 10-year record of flood data The study area consists of two distinct parts: Northwestern Ohio, which contains 8 sites, and southern and eastern Ohio, which contains 22 sites in small forested or surface-mined drainage basins. Basin characteristics were determined for all 30 sites for 1978 conditions. Annual peaks were recorded or estimated for all 30 sites for water years 1978-82; an additional year of peak discharges was available at four sites. The 2-year (Q2) and 5-year (Q5) flood peaks were determined from these annual peaks.Q2 and Q5 values also were calculated using published regionalized regression equations for Ohio. The ratios of the observed to predicted 2-year (R2) and 5-year (R5) values were then calculated. This study found that observed flood peaks aree lower than estimated peaks by a significant amount in surface-mined basins. The average ratios of observed to predicted R2 values are 0.51 for basins with more than 40 percent surface-minded land, and 0.68 for sites with any surface-mined land. The average R5 value is 0.55 for sites with more than 40 percent surface-minded land, and 0.61 for sites with any surface-mined land. Estimated flood peaks from forested basins agree with the observed values fairly well. R2 values average 0.87 for sites with 20 percent or more forested land, but no surface-mined land, and R5 values average 0.96. If all sites with more than 20 percent forested land and some surface-mined land are considered, R2 the values average 0.86, and the R5 values average 0.82.

Assessment of Mars Exploration Rover Landing Site Predictions

NASA Astrophysics Data System (ADS)

Golombek, M. P.

2005-05-01

Comprehensive analyses of remote sensing data during the 3-year effort to select the Mars Exploration Rover landing sites at Gusev crater and Meridiani Planum correctly predicted the safe and trafficable surfaces explored by the two rovers. Gusev crater was predicted to be a relatively low relief surface that was comparably dusty, but less rocky than the Viking landing sites. Available data for Meridiani Planum indicated a very flat plain composed of basaltic sand to granules and hematite that would look completely unlike any of the existing landing sites with a dark, low albedo surface, little dust and very few rocks. Orbital thermal inertia measurements of 315 J m-2 s-0.5 K-1 at Gusev suggested surfaces dominated by duricrust to cemented soil-like materials or cohesionless sand or granules, which is consistent with observed soil characteristics and measured thermal inertias from the surface. THEMIS thermal inertias along the traverse at Gusev vary from 285 at the landing site to 330 around Bonneville rim and show systematic variations that can be related to the observed increase in rock abundance (5-30%). Meridiani has an orbital bulk inertia of ~200, similar to measured surface inertias that correspond to observed surfaces dominated by 0.2 mm sand size particles. Rock abundance derived from orbital thermal differencing techniques suggested that Meridiani Planum would have very low rock abundance, consistent with the rock free plain traversed by Opportunity. Spirit landed in an 8% orbital rock abundance pixel, consistent with the measured 7% of the surface covered by rocks >0.04 m diameter at the landing site, which is representative of the plains away from craters. The orbital albedo of the Spirit traverse varies from 0.19 to 0.30, consistent with surface measurements in and out of dust devil tracks. Opportunity is the first landing in a low albedo portion of Mars as seen from orbit, which is consistent with the dark, dust-free surface and measured albedos. The close correspondence between surface characteristics inferred from orbital remote sensing data and that found at the landing sites argues that future efforts to select safe landing sites will be successful. Linking the five landing sites to their remote sensing signatures suggests that they span most of the important, likely safe surfaces available for landing on Mars.

Infrared Thermography in the Architectural Field

PubMed Central

2013-01-01

Infrared thermography is becoming ever more popular in civil engineering/architecture mainly due to its noncontact character which includes two great advantages. On one side, it prevents the object, under inspection, from any alteration and this is worthwhile especially in the presence of precious works of art. On the other side, the personnel operate in a remote manner far away from any hazard and this complies well with safety at work regulations. What is more, it offers the possibility to quickly inspect large surfaces such as the entire facade of a building. This paper would be an overview of the use of infrared thermography in the architectural and civil engineering field. First, some basic testing procedures are described, and then some key examples are presented owing to both laboratory tests and applications in situ spanning from civil habitations to works of art and archaeological sites. PMID:24319358

Comprehensive studies on the nature of interaction between carboxylated multi-walled carbon nanotubes and bovine serum albumin.

PubMed

Lou, Kai; Zhu, Zhaohua; Zhang, Hongmei; Wang, Yanqing; Wang, Xiaojiong; Cao, Jian

2016-01-05

Herein, the interaction between carboxylated multi-walled carbon nanotubes (MWCNTs-COOH) and bovine serum albumin has been investigated by using circular dichroism, UV-vis, and fluorescence spectroscopic methods and molecular modeling in order to better understand the basic behavior of carbon nanotubes in biological systems. The spectral results showed that MWCNTs-COOH bound to BSA and induced the relatively large changes in secondary structure of protein by mainly hydrophobic forces and π-π stacking interactions. Thermal denaturation of BSA in the presence of MWCNTs-COOH indicated that carbon nanotubes acted as a structure destabilizer for BSA. In addition, the putative binding site of MWCNTs-COOH on BSA was near to domain II. With regard to human health, the present study could provide a better understanding of the biological properties, cytotocicity of surface modified carbon nanotubes. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Intelligent biointerface: remote control for hydrophilic-hydrophobic property of the material surfaces by temperature

NASA Astrophysics Data System (ADS)

Okano, Teruo; Kikuchi, Akihiko

1996-04-01

Considerable research attention has been focused recently on materials which change their structure and properties in response to external stimuli. These materials, termed `intelligent materials', sense a stimulus as a signal (sensor function), judge the magnitude of this signal (processor function), and then alter their function in direct response (effector function). Introduction of stimuli-responsive polymers as switching sequences into both artificial materials and bioactive molecules would permit external, stimuli-induced modulation of their structures and `on-off' switching of their respective functions at molecular levels. Intelligent materials embodying these concepts would contribute to the establishment of basic principles for fabricating novel systems which modulate their structural changes and functional changes in response to external stimuli. These materials are attractive not only as new, sophisticated biomaterials but also for utilization in protein biotechnology, medical diagnosis and advanced site-specific drug delivery system.

Developing a weather observation routine during ICARUS

NASA Astrophysics Data System (ADS)

Mei, F.; Hubbe, J. M.; de Boer, G.; Lawrence, D.; Shupe, M.; Ivey, M.; Dexheimer, D.; Schmid, B.

2016-12-01

Starting in 2014, the Atmospheric Radiation Measurement (ARM) program began a major reconfiguration to more tightly link measurements and atmospheric models. As part of this the reconfiguration, ARM's North Slope of Alaska (NSA) site is being upgraded to include additional observations to support modeling and process studies. The Inaugural Campaigns for ARM Research using Unmanned Systems (ICARUS) have been launched in 2016. This internal initiative at Oliktok Point, Alaska focus on developing routine operations of Unmanned Aerial Systems (UAS) and Tethered Balloon Systems (TBS). The main purpose of ICARUS is to collect spatial data about surface radiation, heat fluxes, and vertical profiles of the basic atmospheric state (temperature, humidity, and horizontal wind). Based on the data collected during ICARUS, we will develop the operation routines for each atmospheric state measurement, and then optimize the operation schedule to maximize the data collection capacity. The statistical representation of important atmospheric state parameters will be discussed.

Pulsars and Acceleration Sites

NASA Technical Reports Server (NTRS)

Harding, Alice

2008-01-01

Rotation-powered pulsars are excellent laboratories for the studying particle acceleration as well as fundamental physics of strong gravity, strong magnetic fields and relativity. But even forty years after their discovery, we still do not understand their pulsed emission at any wavelength. I will review both the basic physics of pulsars as well as the latest developments in understanding their high-energy emission. Special and general relativistic effects play important roles in pulsar emission, from inertial frame-dragging near the stellar surface to aberration, time-of-flight and retardation of the magnetic field near the light cylinder. Understanding how these effects determine what we observe at different wavelengths is critical to unraveling the emission physics. Fortunately the Gamma-Ray Large Area Space Telescope (GLAST), with launch in May 2008 will detect many new gamma-ray pulsars and test the predictions of these models with unprecedented sensitivity and energy resolution for gamma-rays in the range of 30 MeV to 300 GeV.

Boehmite-An Efficient and Recyclable Acid-Base Bifunctional Catalyst for Aldol Condensation Reaction.

PubMed

Reshma, P C Rajan; Vikneshvaran, Sekar; Velmathi, Sivan

2018-06-01

In this work boehmite was used as an acid-base bifunctional catalyst for aldol condensation reactions of aromatic aldehydes and ketones. The catalyst was prepared by simple sol-gel method using Al(NO3)3·9H2O and NH4OH as precursors. The catalyst has been characterized by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), UV-visible spectroscopy (DRS), BET surface area analyses. Boehmite is successfully applied as catalyst for the condensation reaction between 4-nitrobenzaldehyde and acetone as a model substrate giving α, β-unsaturated ketones without any side product. The scope of the reaction is extended for various substituted aldehydes. A probable mechanism has been suggested to explain the cooperative behavior of the acidic and basic sites. The catalyst is environmentally friendly and easily recovered from the reaction mixture. Also the catalyst is reusable up to 3 catalytic cycles.

The information content of high-frequency seismograms and the near-surface geologic structure of "hard rock" recording sites

USGS Publications Warehouse

Cranswick, E.

1988-01-01

Due to hardware developments in the last decade, the high-frequency end of the frequency band of seismic waves analyzed for source mechanisms has been extended into the audio-frequency range (>20 Hz). In principle, the short wavelengths corresponding to these frequencies can provide information about the details of seismic sources, but in fact, much of the "signal" is the site response of the nearsurface. Several examples of waveform data recorded at "hard rock" sites, which are generally assumed to have a "flat" transfer function, are presented to demonstrate the severe signal distortions, including fmax, produced by near-surface structures. Analysis of the geology of a number of sites indicates that the overall attenuation of high-frequency (>1 Hz) seismic waves is controlled by the whole-path-Q between source and receiver but the presence of distinct fmax site resonance peaks is controlled by the nature of the surface layer and the underlying near-surface structure. Models of vertical decoupling of the surface and nearsurface and horizontal decoupling of adjacent sites on hard rock outcrops are proposed and their behaviour is compared to the observations of hard rock site response. The upper bound to the frequency band of the seismic waves that contain significant source information which can be deconvolved from a site response or an array response is discussed in terms of fmax and the correlation of waveform distortion with the outcrop-scale geologic structure of hard rock sites. It is concluded that although the velocity structures of hard rock sites, unlike those of alluvium sites, allow some audio-frequency seismic energy to propagate to the surface, the resulting signals are a highly distorted, limited subset of the source spectra. ?? 1988 Birkha??user Verlag.

Subsurface And Surface Water Flow Interactions

EPA Science Inventory

In this chapter we present basic concepts and principles underlying the phenomena of groundwater and surface water interactions. Fundamental equations and analytical and numerical solutions describing stream-aquifer interactions are presented in hillslope and riparian aquifer en...

Cognitive and Noncognitive Improvements Among ChalleNGe Cadets: A Survey of Seven Sites

DTIC Science & Technology

2016-06-01

Distribution unlimited Cognitive and Noncognitive Improvements Among ChalleNGe Cadets: A Survey of Seven Sites Lauren D. Malone and Jennifer R...completion and test score improvement. Using data on cadets’ scores on the Test of Adult Basic Education (TABE) and cadets’ responses to survey questions...total score. The sites also provided information on which cadets completed the program and cadets’ ages. In addition, we use data from a survey that

Seed banks in a degraded desert shrubland: Influence of soil surface condition and harvester ant activity on seed abundance

USGS Publications Warehouse

DeFalco, L.A.; Esque, T.C.; Kane, J.M.; Nicklas, M.B.

2009-01-01

We compared seed banks between two contrasting anthropogenic surface disturbances (compacted, trenched) and adjacent undisturbed controls to determine whether site condition influences viable seed densities of perennial and annual Mojave Desert species. Viable seeds of perennials were rare in undisturbed areas (3-4 seeds/m2) and declined to <1 seed/m2 within disturbed sites. Annual seed densities were an order of magnitude greater than those of perennials, were one-third the undisturbed seed densities on compacted sites, but doubled on trenched sites relative to controls. On trenched sites, greater litter cover comprising the infructescences of the dominant spring annuals, and low gravel content, enhanced seed densities of both annuals and perennials. Litter cover and surface ruggedness were the best explanations for viable perennial seed densities on compacted sites, but litter cover and the presence of a common harvester ant explained annual seed densities better than any other surface characteristics that were examined. Surface disturbances can have a varied impact on the condition of the soil surface in arid lands. Nevertheless, the consistently positive relationship between ground cover of litter and viable seed density emphasizes the importance of litter as an indicator of site degradation and recovery potential in arid lands.

ADSORPTION AND DISSOCIATION OF O2 ON Ti3Al (0001) STUDIED BY FIRST-PRINCIPLES

NASA Astrophysics Data System (ADS)

Wei, Li-Jing; Guo, Jian-Xin; Dai, Xiu-Hong; Wang, Ying-Long; Liu, Bao-Ting

2015-05-01

The adsorption and dissociation of oxygen molecule on Ti3Al (0001) surface have been investigated by density functional theory (DFT) with the generalized gradient approximation (GGA). All possible adsorption sites including nine vertical and fifteen parallel sites of O2 are considered on Ti3Al (0001) surface. It is found that all oxygen molecules dissociate except for three vertical adsorption sites after structure optimization. This indicates that oxygen molecules prefer to dissociate on the junction site between Ti and Al atoms. Oxygen atoms coming from dissociation of oxygen molecule tend to occupy the most stable adsorption sites of the Ti3Al (0001) surface. The distance of O-O is related to the surface dissociation distance of Ti3Al (0001) surface. The valence electron localization function (ELF) and projected density of states (DOS) show that the bonds of O-O are breakaway at parallel adsorption end structures.

Evaluation of ERTS-1 imagery in mapping and managing soil and range resources in the Sand Hills Region of Nebraska

NASA Technical Reports Server (NTRS)

Seevers, P. M.; Drew, J. V.

1973-01-01

Interpretations of high altitude photography of test sites in the Sandhills of Nebraska permitted identification of subirrigated range sites as well as complexes of choppy sands and sands range sites, units composing approximately 85% of the Sandhills rangeland. These range sites form the basic units necessary for the interpretation of range condition classes used in grazing management. Analysis of ERTS-1 imagery acquired during August, September and October, 1972 indicated potential for the identification of gross differences in forage density within given range sites identified on early season aerial photography.

Aerothermodynamics and Turbulence

DTIC Science & Technology

2013-03-08

Surface Heat Transfer and Detailed Flow Structure Fuel Injection in a Scramjet Combustor Reduced Uncertainty in Complex Flows Addressing... hypersonic flight data to capture shock interaction unsteadiness National Hypersonic Foundational Research Plan Joint Technology Office... Hypersonics Basic Science Roadmap Assessment of SOA and Future Research Directions Ongoing Basic Research for Understanding and Controlling Noise

Minimizing the RMS surface distortions from gravity loadings of the 34-m HA-DEC antenna for deep space missions

NASA Technical Reports Server (NTRS)

Katow, S. M.

1979-01-01

The computer analysis of the 34-m HA-DEC antenna by the IDEAS program provided the rms distortions of the surface panels support points for full gravity loadings in the three directions of the basic coordinate system of the computer model. The rms distortions for the gravity vector not in line with any of the three basic directions were solved and contour plotted starting from three surface panels setting declination angle. By inspections of the plots, it was concluded that the setting or rigging angle of -15 degrees declination minimized the rms distortions for sky coverage of plus or minus 22 declination angles to 10 degrees of ground mask.

Field Geology/Processes

NASA Technical Reports Server (NTRS)

Allen, Carlton; Jakes, Petr; Jaumann, Ralf; Marshall, John; Moses, Stewart; Ryder, Graham; Saunders, Stephen; Singer, Robert

1996-01-01

The field geology/process group examined the basic operations of a terrestrial field geologist and the manner in which these operations could be transferred to a planetary lander. Four basic requirements for robotic field geology were determined: geologic content; surface vision; mobility; and manipulation. Geologic content requires a combination of orbital and descent imaging. Surface vision requirements include range, resolution, stereo, and multispectral imaging. The minimum mobility for useful field geology depends on the scale of orbital imagery. Manipulation requirements include exposing unweathered surfaces, screening samples, and bringing samples in contact with analytical instruments. To support these requirements, several advanced capabilities for future development are recommended. Capabilities include near-infrared reflectance spectroscopy, hyper-spectral imaging, multispectral microscopy, artificial intelligence in support of imaging, x ray diffraction, x ray fluorescence, and rock chipping.

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

Henderson, Michael A.; Lyubinetsky, Igor

The field of heterogeneous photocatalysis has grown considerably in the decades since Fujishima and Honda's ground-breaking publications of photoelectrochemistry on TiO2. Numerous review articles continue to point to both progress made in the use of heterogeneous materials (such as TiO2) to perform photoconversion processes, and the many opportunities and challenges in heterogeneous photocatalysis research such as solar energy conversion and environmental remediation. The past decade has also seen an increase in the use of molecular-level approaches applied to model single crystal surfaces in an effort to obtain new insights into photocatalytic phenomena. In particular, scanning probe techniques (SPM) have enabledmore » researchers to take a ‘nanoscale’ approach to photocatalysis that includes interrogation of the reactivities of specific sites and adsorbates on a model photocatalyst surface. The rutile TiO2(110) surface has become the prototypical oxide single crystal surface for fundamental studies of many interfacial phenomena. In particular, TiO2(110) has become an excellent model surface for probing photochemical and photocatalytic reactions at the molecular level. A variety of experimental approaches have emerged as being ideally suited for studying photochemical reactions on TiO2(110), including desorption-oriented approaches and electronic spectroscopies, but perhaps the most promising techniques for evaluating site-specific properties are those of SPM. In this review, we highlight the growing use of SPM techniques in providing molecular-level insights into surface photochemistry on the model photocatalyst surface of rutile TiO2(110). Our objective is to both illustrate the unique knowledge that scanning probe techniques have already provided the field of photocatalysis, and also to motivate a new generation of effort into the use of such approaches to obtain new insights into the molecular level details of photochemical events occurring at interfaces. Discussion will start with an examination of how scanning probe techniques are being used to characterize the TiO2(110) surface in ways that are relevant to photocatalysis. We will then discuss specific classes of photochemical reaction on TiO2(110) for which SPM has proven indispensible in providing unique molecular-level insights, and conclude with discussion of future areas in which SPM studies may prove valuable to photocatalysis on TiO2. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. I.L. was partially supported by a Pacific Northwest National Laboratory (PNNL) Chemical Imaging Initiative project. PNNL is a multiprogram national laboratory operated for DOE by Battelle.« less

Approaches to improve angiogenesis in tissue-engineered skin.

PubMed

Sahota, Parbinder S; Burn, J Lance; Brown, Nicola J; MacNeil, Sheila

2004-01-01

A problem with tissue-engineered skin is clinical failure due to delays in vascularization. The aim of this study was to explore a number of simple strategies to improve angiogenesis/vascularization using a tissue-engineered model of skin to which small vessel human dermal microvascular endothelial cells were added. For the majority of these studies, a modified Guirguis chamber was used, which allowed the investigation of several variables within the same experiment using the same human dermis; cell type, angiogenic growth factors, the influence of keratinocytes and fibroblasts, mechanical penetration of the human dermis, the site of endothelial cell addition, and the influence of hypoxia were all examined. A qualitative scoring system was used to assess the impact of these factors on the penetration of endothelial cells throughout the dermis. Similar results were achieved using freshly isolated small vessel human dermal microvascular endothelial cells or an endothelial cell line and a minimum cell seeding density was identified. Cell penetration was not influenced by the addition of angiogenic growth factors (vascular endothelial growth factor and basic fibroblast growth factor); similarly, including epidermal keratinocytes or dermal fibroblasts did not encourage endothelial cell entry, and neither did mechanical introduction of holes throughout the dermis. Two factors were identified that significantly enhanced endothelial cell penetration into the dermis: hypoxia and the site of endothelial cell addition. Endothelial cells added from the papillary surface entered into the dermis much more effectively than when cells were added to the reticular surface of the dermis. We conclude that this model is valuable in improving our understanding of how to enhance vascularization of tissue-engineered grafts.

Crystal structure at 2.8Å of Huntingtin-interacting protein 1 (HIP1) coiled-coil domain reveals a charged surface suitable for HIP-protein interactor (HIPPI)

PubMed Central

Niu, Qian; Ybe, Joel A.

2008-01-01

Summary Huntington’s disease is a genetic neurological disorder that is triggered by the dissociation of the huntingtin protein (htt) from its obligate interaction partner Huntingtin-interacting protein 1 (HIP1). The release of htt permits HIP-protein interactor (HIPPI) to bind to its recognition site on HIP1 to form a HIPPI/HIP1 complex that recruits Procaspase-8 to begin the process of apoptosis. The interaction module between HIPPI and HIP1 was predicted to resemble a death-effector domain (DED). Our 2.8 Å crystal structure of the HIP1 371-481 sub-fragment that includes F432 and K474 important for HIPPI binding is not a DED, but is a partially opened coiled-coil. The HIP1 371-481 model reveals a basic surface we hypothesize is suitable for binding HIPPI. There is an opened region next to the putative HIPPI site that is highly negatively charged. The acidic residues in this region are highly conserved in HIP1 and a related protein, HIP1R from different organisms, but are not conserved in the yeast homolog of HIP1, sla2p. We have modeled ∼85% of the coiled-coil domain by joining our new HIP1 371-481 structure to the HIP1 482-586 model (PDB code: 2NO2). Finally, the middle of this coiled-coil domain may be intrinsically flexible and suggests a new interaction model where HIPPI binds to a “U” shaped HIP1 molecule. PMID:18155047

Arginine- and lysine-specific polymers for protein recognition and immobilization.

PubMed

Renner, Christian; Piehler, Jacob; Schrader, Thomas

2006-01-18

Free radical polymerization of methacrylamide-based bisphosphonates turns weak arginine binders into powerful polymeric protein receptors. Dansyl-labeled homo- and copolymers with excellent water solubility are accessible through a simple copolymerization protocol. Modeling studies point to a striking structural difference between the stiff rodlike densely packed homopolymer 1 and the flexible copolymer 2 with spatially separated bisphosphonate units. Fluorescence titrations in buffered aqueous solution (pH = 7.0) confirm the superior affinity of the homopolymer toward oligoarginine peptides reaching nanomolar K(D) values for the Tat peptide. Basic proteins are bound almost equally well by 1 and 2 with micromolar affinities, with the latter producing much more soluble complexes. The Arg selectivity of the monomer is transferred to the polymer, which binds Arg-rich proteins 1 order of magnitude tighter than lysine-rich pendants of comparable pI, size, and (Arg/Lys vs Glu/Asp) ratio. Noncovalent deposition of both polymers on glass substrates via polyethyleneimine layers results in new materials suitable for peptide and protein immobilization. RIfS measurements allow calculation of association constants K(a) as well as dissociation kinetics k(D). They generally confirm the trends already found in free solution. Close inspection of electrostatic potential surfaces suggest that basic domains favor protein binding on the flat surface. The high specificity of the bisphosphonate polymers toward basic proteins is demonstrated by comparison with polyvinyl sulfate, which has almost no effect in RIfS experiments. Thus, copolymerization of few different comonomer units without cross-linking enables surface recognition of basic proteins in free solution as well as their effective immobilization on surfaces.

Vertical shear-wave velocity profiles generated from spectral analysis of surface waves : field examples

DOT National Transportation Integrated Search

2003-04-01

Surface wave (Rayleigh wave) seismic data were acquired at six separate bridge sites in southeast Missouri. Each acquired surface wave data set was processed (spectral analysis of surface waves; SASW) and transformed into a site-specific vertical she...

The acid-base titration of montmorillonite

NASA Astrophysics Data System (ADS)

Bourg, I. C.; Sposito, G.; Bourg, A. C.

2003-12-01

Proton binding to clay minerals plays an important role in the chemical reactivity of soils (e.g., acidification, retention of nutrients or pollutants). If should also affect the performance of clay barriers for waste disposal. The surface acidity of clay minerals is commonly modelled empirically by assuming generic amphoteric surface sites (>SOH) on a flat surface, with fitted site densities and acidity constant. Current advances in experimental methods (notably spectroscopy) are rapidly improving our understanding of the structure and reactivity of the surface of clay minerals (arrangement of the particles, nature of the reactive surface sites, adsorption mechanisms). These developments are motivated by the difficulty of modelling the surface chemistry of mineral surfaces at the macro-scale (e.g., adsorption or titration) without a detailed (molecular-scale) picture of the mechanisms, and should be progressively incorporated into surface complexation models. In this view, we have combined recent estimates of montmorillonite surface properties (surface site density and structure, edge surface area, surface electrostatic potential) with surface site acidities obtained from the titration of alpha-Al2O3 and SiO2, and a novel method of accounting for the unknown initial net proton surface charge of the solid. The model predictions were compared to experimental titrations of SWy-1 montmorillonite and purified MX-80 bentonite in 0.1-0.5 mol/L NaClO4 and 0.005-0.5 mol/L NaNO3 background electrolytes, respectively. Most of the experimental data were appropriately described by the model after we adjusted a single parameter (silanol sites on the surface of montmorillonite were made to be slightly more acidic than those of silica). At low ionic strength and acidic pH the model underestimated the buffering capacity of the montmorillonite, perhaps due to clay swelling or to the interlayer adsorption of dissolved aluminum. The agreement between our model and the experimental data illustrates the complementarity of molecular and macro-scale descriptions of the clay reactivity.

Solid frustrated-Lewis-pair catalysts constructed by regulations on surface defects of porous nanorods of CeO2

PubMed Central

Zhang, Sai; Huang, Zheng-Qing; Ma, Yuanyuan; Gao, Wei; Li, Jing; Cao, Fangxian; Li, Lin; Chang, Chun-Ran; Qu, Yongquan

2017-01-01

Identification on catalytic sites of heterogeneous catalysts at atomic level is important to understand catalytic mechanism. Surface engineering on defects of metal oxides can construct new active sites and regulate catalytic activity and selectivity. Here we outline the strategy by controlling surface defects of nanoceria to create the solid frustrated Lewis pair (FLP) metal oxide for efficient hydrogenation of alkenes and alkynes. Porous nanorods of ceria (PN-CeO2) with a high concentration of surface defects construct new Lewis acidic sites by two adjacent surface Ce3+. The neighbouring surface lattice oxygen as Lewis base and constructed Lewis acid create solid FLP site due to the rigid lattice of ceria, which can easily dissociate H–H bond with low activation energy of 0.17 eV. PMID:28516952

Depleted uranium investigation at missile impact sites in White Sands Missile Range

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

Van Etten, D.M.; Purtymun, W.D.

1994-01-01

An investigation for residual depleted uranium was conducted at Pershing missile impact sites on the White Sands Missile Range. Subsurface core soil samples were taken at Chess, Salt Target, and Mine Impact Sites. A sampling pump was installed in a monitoring well at Site 65 where a Pershing earth penetrator was not recovered. Pumping tests and water samples were taken at this site. Chess Site, located in a gypsum flat, was the only location showing elevated levels of depleted uranium in the subsurface soil or perched groundwater. Small fragments can still be found on the surface of the impact sites.more » The seasonal flooding and near surface water has aided in the movement of surface fragments.« less

Hyperthermal Carbon Dioxide Interactions with Self-Assembled Monolayer Surfaces

DTIC Science & Technology

2013-09-08

comparison of the scattering behavior from the liquid and semi-solid surfaces to allow new insight into the pivotal initial step in gas -surface reaction...scattering dynamics of atoms and molecules on liquid and SAM surfaces, in order to deepen the understanding of gas -surface interactions at liquid and... gas - liquid and gas -SAM interface have developed a basic picture of the gas -surface collision dynamics. The previous experiments showed a bimodal

Sorption of uranium (VI) on homoionic sodium smectite experimental study and surface complexation modeling.

PubMed

Korichi, Smain; Bensmaili, Aicha

2009-09-30

This paper is an extension of a previous paper where the natural and purified clay in the homoionic Na form were physico-chemically characterized (doi:10.1016/j.clay.2008.04.014). In this study, the adsorption behavior of U (VI) on a purified Na-smectite suspension is studied using batch adsorption experiments and surface complexation modeling (double layer model). The sorption of uranium was investigated as a function of pH, uranium concentration, solid to liquid ratio, effect of natural organic matter (NOM) and NaNO(3) background electrolyte concentration. Using the MINTEQA2 program, the speciation of uranium was calculated as a function of pH and uranium concentration. Model predicted U (VI) aqueous speciation suggests that important aqueous species in the [U (VI)]=1mg/L and pH range 3-7 including UO(2)(2+), UO(2)OH(+), and (UO(2))(3)(OH)(5)(+). The concentration of UO(2)(2+) decreased and that of (UO(2))(3)(OH)(5)(+) increased with increasing pH. The potentiometric titration values and uptake of uranium in the sodium smectite suspension were simulated by FITEQL 4.0 program using a two sites model, which is composed of silicate and aluminum reaction sites. We compare the acidity constants values obtained by potentiometric titration from the purified sodium smectite with those obtained from single oxides (quartz and alpha-alumina), taking into account the surface heterogeneity and the complex nature of natural colloids. We investigate the uranium sorption onto purified Na-smectite assuming low, intermediate and high edge site surfaces which are estimated from specific surface area percentage. The sorption data is interpreted and modeled as a function of edge site surfaces. A relationship between uranium sorption and total site concentration was confirmed and explained through variation in estimated edge site surface value. The modeling study shows that, the convergence during DLM modeling is related to the best estimation of the edge site surface from the N(2)-BET specific surface area, SSA(BET) (thus, total edge site concentrations). The specific surface area should be at least 80-100m(2)/g for smectite clays in order to reach convergence during the modeling. The range of 10-20% SSA(BET) was used to estimate the values of edge site surfaces that led to the convergence during modeling. An agreement between the experimental data and model predictions is found reasonable when 15% SSA(BET) was used as edge site surface. However, the predicted U (VI) adsorption underestimated and overestimated the experimental observations at the 10 and 20% of the measured SSA(BET), respectively. The dependence of uranium sorption modeling results on specific surface area and edge site surface is useful to describe and predict U (VI) retardation as a function of chemical conditions in the field-scale reactive transport simulations. Therefore this approach can be used in the environmental quality assessment.

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

Sprague, E.R.; Wang, C.; Baker, D.

Herpes simplex virus type-1 expresses a heterodimeric Fc receptor, gE-gI, on the surfaces of virions and infected cells that binds the Fc region of host immunoglobulin G and is implicated in the cell-to-cell spread of virus. gE-gI binds immunoglobulin G at the basic pH of the cell surface and releases it at the acidic pH of lysosomes, consistent with a role in facilitating the degradation of antiviral antibodies. Here we identify the C-terminal domain of the gE ectodomain (CgE) as the minimal Fc-binding domain and present a 1.78-{angstrom} CgE structure. A 5-{angstrom} gE-gI/Fc crystal structure, which was independently verified bymore » a theoretical prediction method, reveals that CgE binds Fc at the C{sub H}2-C{sub H}3 interface, the binding site for several mammalian and bacterial Fc-binding proteins. The structure identifies interface histidines that may confer pH-dependent binding and regions of CgE implicated in cell-to-cell spread of virus. The ternary organization of the gE-gI/Fc complex is compatible with antibody bipolar bridging, which can interfere with the antiviral immune response.« less

Block distributions on the lunar surface: A comparison between measurements obtained from surface and orbital photography

NASA Technical Reports Server (NTRS)

Cintala, Mark J.; Mcbride, Kathleen M.

1994-01-01

Enlargements of Lunar-Orbiter photography were used in conjunction with a digitizing tablet to collect the locations and dimensions of blocks surrounding the Surveyor 1, 3, 6, and 7 landing sites. Data were reduced to the location and the major axis of the visible portion of each block. Shadows sometimes made it difficult to assess whether the visible major axis corresponded with the actual principal dimension. These data were then correlated with the locations of major craters in the study areas, thus subdividing the data set into blocks obviously associated with craters and those in intercrater areas. A block was arbitrarily defined to be associated with a crater when its location was within 1.1 crater radii of the crater's center. Since this study was commissioned for the ultimate purpose of determining hazards to landing spacecraft, such a definition was deemed appropriate in defining block-related hazards associated with craters. Size distributions of smaller fragments as determined from Surveyor photography were obtained as measurements from graphical data. Basic comparisons were performed through use of cumulative frequency distributions identical to those applied to studies of crater-count data.

Quality of surface water in the Sevier Lake basin, Utah

USGS Publications Warehouse

Hahl, D.C.; Cabell, R.E.

1965-01-01

Few data are available on the quality of surface waters in the Sevier Lake basin. Because of the need for information not only on the chemical-quality but also on the other water-quality characteristics of the basin, the U.S. Geological Survey, as part of its cooperative program with the Utah State Engineer, evaluated the available data in 1963. Based on this evaluation, a reconnaissance was designed to obtain some of the needed water-quality information. To extend the applicability of the basic information, the Utah State Engineer, the Utah State Department of Health, the Water Commissioner for the Sevier River, and the Soil Conservation Service and Forest Service of the U.S. Department of Agriculture assisted in the planning and in the selection of sampling sites.This report presents the results of the data-collection phase of the reconnaissance. A companion interpretive report will be prepared later. The data were collected primarily by the U.S. Geological Survey as part of its cooperative programs with the State Engineer of Utah and the Utah Geological and Mineralogical Survey. The work was under the supervision of R. H. Langford, district chemist of the Quality of Water Branch, Water Resources Division, U.S. Geological Survey.

Atomic mechanism for the growth of wafer-scale single-crystal graphene: theoretical perspective and scanning tunneling microscopy investigations

NASA Astrophysics Data System (ADS)

Niu, Tianchao; Zhang, Jialin; Chen, Wei

2017-12-01

Chemical vapor deposition (CVD) is the most promising approach for producing low-cost, high-quality, and large area graphene. Revealing the graphene growth mechanism at the atomic-scale is of great importance for realizing single crystal graphene (SCG) over wafer scale. Density functional theoretical (DFT) calculations are playing an increasingly important role in revealing the structure of the most stable carbon species, understanding the evolution processes, and disclosing the active sites. Scanning tunneling microscopy (STM) is a powerful surface characterization tool to illustrate the real space distribution and atomic structures of growth intermediates during the CVD process. Combining them together can provide valuable information to improve the atomically controlled growth of SCG. Starting from a basic concept of the substrate effect on realizing SCG, this review covers the progress made in theoretical investigations on various carbon species during graphene growth on different transition metal substrates, in the STM study of the structural intermediates on transition metal surfaces, and in synthesizing graphene nanoribbons with atomic-precise width and edge structure, ending with a perspective on the future development of 2D materials beyond graphene.

Evolution of Altimetry Calibration and Future Challenges

NASA Technical Reports Server (NTRS)

Fu, Lee-Lueng; Haines, Bruce J.

2012-01-01

Over the past 20 years, altimetry calibration has evolved from an engineering-oriented exercise to a multidisciplinary endeavor driving the state of the art. This evolution has been spurred by the developing promise of altimetry to capture the large-scale, but small-amplitude, changes of the ocean surface containing the expression of climate change. The scope of altimeter calibration/validation programs has expanded commensurately. Early efforts focused on determining a constant range bias and verifying basic compliance of the data products with mission requirements. Contemporary investigations capture, with increasing accuracies, the spatial and temporal characteristics of errors in all elements of the measurement system. Dedicated calibration sites still provide the fundamental service of estimating absolute bias, but also enable long-term monitoring of the sea-surface height and constituent measurements. The use of a network of island and coastal tide gauges has provided the best perspective on the measurement stability, and revealed temporal variations of altimeter measurement system drift. The cross-calibration between successive missions provided fundamentally new information on the performance of altimetry systems. Spatially and temporally correlated errors pose challenges for future missions, underscoring the importance of cross-calibration of new measurements against the established record.

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

Cobb, M. A.; Dockter, R. E.

The permeability of ground surfaces within the U.S. Department of Energy’s (DOE) Hanford Site strongly influences boundary conditions when simulating the movement of groundwater using the Subsurface Transport Over Multiple Phases model. To conduct site-wide modeling of cumulative impacts to groundwater from past, current, and future waste management activities, a site-wide assessment of the permeability of surface conditions is needed. The surface condition of the vast majority of the Hanford Site has been and continues to be native soils vegetated with dryland grasses and shrubs.

Theoretical study on the interactions between chlordecone hydrate and acidic surface groups of activated carbon under basic pH conditions.

PubMed

Melchor-Rodríguez, Kenia; Gamboa-Carballo, Juan José; Ferino-Pérez, Anthuan; Passé-Coutrin, Nady; Gaspard, Sarra; Jáuregui-Haza, Ulises Javier

2018-05-01

A theoretical study of the influence of acidic surface groups (SG) of activated carbon (AC) on chlordecone hydrate (CLDh) adsorption is presented, in order to help understanding the adsorption process under basic pH conditions. A seven rings aromatic system (coronene) with a functional group in the edge was used as a simplified model of AC to evaluate the influence of SG in the course of adsorption from aqueous solution at basic pH conditions. Two SG were modeled in their deprotonated form: carboxyl and hydroxyl (COO - and O - ), interacting with CLDh. In order to model the solvation process, all systems under study were calculated with up to three water molecules. Multiple Minima Hypersurface (MMH) methodology was employed to study the interactions of CLDh with SG on AC using PM7 semiempirical Hamiltonian, to explore the potential energy surfaces of the systems and evaluate their thermodynamic association energies. The re-optimization of representative structures obtained from MMH was done using M06-2X Density Functional Theory. The Quantum Theory of Atoms in Molecules (QTAIM) was used to characterize the interaction types. As result, the association of CLDh with acidic SG at basic pH conditions preferentially occurs between the two alcohol groups of CLDh with COO - and O - groups and by dispersive interactions of chlorine atoms of CLDh with the graphitic surface. On the other hand, the presence of covalent interactions between the negatively charged oxygen of SG and one hydrogen atom of CLDh alcohol groups (O - ⋯HO interactions) without water molecules, was confirmed by QTAIM study. It can be concluded that the interactions of CLDh with acidic SG of AC under basic pH conditions confirms the physical mechanisms of adsorption process. Copyright © 2018 Elsevier Inc. All rights reserved.

Impact of the Atmospheric Transport on the Seasonal Variations and Trends of the Surface Ozone Concentration at Caucasian and Central European Mountain Sites

NASA Astrophysics Data System (ADS)

Tarasova, O. A.; Staehelin, J.; Senik, I. A.; Sosonkin, M. G.; Cui, J.; Prevot, A. S.

2008-12-01

An analysis of the atmospheric transport influence on the seasonal variations and trends of the surface ozone for two mountain sites, namely Kislovodsk High Mountain Station (KHMS) in Caucasus, Russia (43.7°N, 42.7°E, 2070 m asl.) and Jungfraujoch (JFJ) in Switzerland (46.5°N, 7.9°E, 3580 m asl) will be presented. Transport patterns are analyzed using 3D LAGRANTO trajectories. Main transport directions are obtained with the help of k-means trajectories clustering for the period 1990-2006. For each selected cluster average seasonal cycle and trends at two mountain locations are analyzed. Due to non-monotonous behavior of the trend the entire period is divided into two subsets (1991-2001 and 1997- 2006) which are studied separately. For both sites (JFJ and KHMS) the highest spring maximum is observed in May in the cluster, originating in East Asia and traveling to both sites with the longest contact with the upper free troposphere. Moreover, for both locations the excess of the summer maximum above the spring one is observed in the cluster of the local/regional transport due to ozone photochemical production in the polluted continental PBL. Trend of the surface ozone concentration at JFJ in 1991-2001 is connected with increased ozone concentrations in the free troposphere of mid latitude over West Atlantic/USA influenced by stratospheric concentration increase (most positive spring trend in trans-Atlantic clusters). The response to the regional European emission decrease observed in the local/regional advection cluster is less important but it is contributing to the seasonality of the trend. In 1997-2006 the trends at JFJ are more connected with European emissions regulations (the strongest trend are in the cluster of local/regional advection). The strong negative trends of the surface ozone concentrations at KHMS during both considered periods (1991-2001 and 1996-2007) are likely to be associated with different regime of emission (both of the local and regional scale), with abrupt emissions reduction in the beginning of 1990s in Former USSR and economical recovery during more recent period. The mentioned trends are best seen in the cluster with local/regional transport. Other reasons are also discussed in the presentation. The work is financially supported by the Swiss National Science Foundation (JRP IB7320-110831), European Commission (Marie-Curie IIF project N 039905 - FP6-2005-Mobility-7) and Russian Foundation for Basic Research (projects 06-05-64427 and 06-05-65308) and contributes to ACCENT T&TP project.

The Reynolds Creek Experimental Watershed: A Hydro-Geo-Climatic Observatory for the 21^{st} Century

NASA Astrophysics Data System (ADS)

Marks, D.; Seyfried, M.; Flerchinger, G.

2006-12-01

Long-term hydro-climatic data on a watershed scale are critical to improving our understanding of basic hydrologic and ecologic processes because they provide a context to assess inter-annual variability and allow us to document longer-term trends. In addition, a scientific infrastructure that captures the spatial variations within a watershed are required to identify recharge areas, describe the amount and timing of streamflow generation and understand the variability of vegetation. These basic data, combined with soil microclimate information, are required to describe the milieu for geochemical weathering and soil formation. Data from watersheds that include significant human activities, such as grazing, farming, irrigation, and urbanization, represent conditions typical to most watersheds and are critical for determining the signature of human induced changes on hydrologic processes and the water cycle. The Reynolds Creek Experimental Watershed (RCEW), a 239 km2 drainage in the Owyhee Mountains near Boise, Idaho, was added to the USDA Agricultural Research Service watershed program in 1960. The vision for RCEW as an outdoor laboratory to support watershed research was described 1965 in the first volume of Water Resources Research [Robins et al., 1965]. The RCEW has supported a sustained data collection network for over 45 years. The first 35 years of data were presented in a series of papers in 2001 [Marks, 2001]. More recently, there has been an effort to better describe spatial variations within the watershed, and research is currently supported by 9 weirs, 32 primary and 5 secondary meteorological measurement stations, 26 precipitation stations, 8 snow course and 5 snow study sites, and 5 eddy covariance systems. In addition, soil microclimate (moisture and temperature) profile data are collected eight sites with surface data collected at an additional 19 sites. These support a wide range of experimental investigations including snow hydrology and physics, cold season hydrology, geophysics, water quality, model development and testing, water and carbon flux experiments, ecosystem processes, grazing effects, and mountain climate research. Active watershed manipulation allows fire ecology and hydrology, vegetation-climate inter-action, watershed restoration, grazing and wildlife management, and invasive plant research.

Influence of catalyst synthesis method on selective catalytic reduction (SCR) of NO by NH 3 with V 2O 5-WO 3/TiO 2 catalysts

DOE PAGES

He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; ...

2016-04-14

We compared the molecular structures, surface acidity and catalytic activity for NO/NH 3/O 2 SCR of V 2O 5-WO 3/TiO 2 catalysts for two different synthesis methods: co-precipitation of aqueous vanadium and tungsten oxide precursors with TiO(OH) 2 and by incipient wetness impregnation of the aqueous precursors on a reference crystalline TiO 2 support (P25; primarily anatase phase). Bulk analysis by XRD showed that co-precipitation results in small and/or poorly ordered TiO 2(anatase) particles and that VO x and WO x do not form solid solutions with the bulk titania lattice. Surface analysis of the co-precipitated catalyst by High Sensitivity-Lowmore » Energy Ion Scattering (HS-LEIS) confirms that the VO x and WO x are surface segregated for the co-precipitated catalysts. In situ Raman and IR spectroscopy revealed that the vanadium and tungsten oxide components are present as surface mono-oxo O = VO 3 and O = WO 4 sites on the TiO 2 supports. Co-precipitation was shown for the first time to also form new mono-oxo surface VO 4 and WO 4 sites that appear to be anchored at surface defects of the TiO 2 support. IR analysis of chemisorbed ammonia showed the presence of both surface NH 3 * on Lewis acid sites and surface NH 4 +* on Brønsted acid sites. TPSR spectroscopy demonstrated that the specific SCR kinetics was controlled by the redox surface VO 4 species and that the surface kinetics was independent of TiO 2 synthesis method or presence of surface WO 5 sites. SCR reaction studies revealed that the surface WO5 sites possess minimal activity below ~325 °C and their primary function is to increase the adsorption capacity of ammonia. A relationship between the SCR activity and surface acidity was not found. The SCR reaction is controlled by the surface VO 4 sites that initiate the reaction at ~200 °C. The co-precipitated catalysts were always more active than the corresponding impregnated catalysts. Finally, we ascribe the higher activity of the co-precipitated catalysts to the presence of the new surface WO x sites associated surface defects on the TiO 2 support that increase the ammonia adsorption capacity.« less

Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

NASA Astrophysics Data System (ADS)

Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.

2015-01-01

CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as Aa site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from Aa (occupied) to Aa (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

Biases in cost measurement for economic evaluation studies in health care.

PubMed

Jacobs, P; Baladi, J F

1996-01-01

This paper addresses the issue of biases in cost measures which used in economic evaluation studies. The basic measure of hospital costs which is used by most investigators is unit cost. Focusing on this measure, a set of criteria which the basic measures must fulfil in order to approximate the marginal cost (MC) of a service for the relevant product, in the representative site, was identified. Then four distinct biases--a scale bias, a case mix bias, a methods bias and a site selection bias--each of which reflects the divergence of the unit cost measure from the desired MC measure, were identified. Measures are proposed for several of these biases and it is suggested how they can be corrected.

Assessment of Mars Exploration Rover Landing Site Predictions

NASA Technical Reports Server (NTRS)

Golombek, M. P.; Arvidson, R. E.; Bell, J. F., III; Christensen, P. R.; Crisp, J. A.; Ehlmann, B. L.; Fergason, R. L.; Grant, J. A.; Haldemann, A. F. C.; Parker, T. J.;

How do energetic ions damage metallic surfaces?

DOE PAGES

Osetskiy, Yury N.; Calder, Andrew F.; Stoller, Roger E.

2015-02-20

Surface modification under bombardment by energetic ions observed under different conditions in structural and functional materials and can be either unavoidable effect of the conditions or targeted modification to enhance materials properties. Understanding basic mechanisms is necessary for predicting properties changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films withmore » (100) and (110) surfaces at room temperature. A large number of simulations, ~400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three basic scenarios were observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some instances, formation of large <100> vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations.« less

A stochastic bioburden model for spacecraft sterilization.

NASA Technical Reports Server (NTRS)

Roark, A. L.

1972-01-01

Development of a stochastic model of the probability distribution for the random variable representing the number of microorganisms on a surface as a function of time. The first basic principle associated with bioburden estimation is that viable particles are removed from surfaces. The second notion important to the analysis is that microorganisms in environments and on surfaces occur in clumps. The last basic principle relating to bioburden modeling is that viable particles are deposited on a surface. The bioburden on a spacecraft is determined by the amount and kind of control exercised on the spacecraft assembly location, the shedding characteristics of the individuals in the vicinity of the spacecraft, its orientation, the geographical location in which the assembly takes place, and the steps in the assembly procedure. The model presented has many of the features which are desirable for its use in the spacecraft sterilization programs currently being planned by NASA.

A docking study of enhanced intracellular survival protein from Mycobacterium tuberculosis with human DUSP16/MKP-7.

PubMed

Yoon, Hye Jin; Kim, Kyoung Hoon; Yang, Jin Kuk; Suh, Se Won; Kim, Hyunsik; Jang, Soonmin

2013-11-01

The intracellular pathogen Mycobacterium tuberculosis (Mtb) causes tuberculosis, and one of its secreted effector proteins, called enhanced intracellular survival (Eis) protein, enhances its survival in macrophages. Mtb Eis activates JNK-specific dual-specificity protein phosphatase 16 (DUSP16)/mitogen-activated protein kinase phosphatase-7 (MKP-7) through the acetylation on Lys55, thus inactivating JNK by dephosphorylation. Based on the recently reported crystal structure of Mtb Eis, a docking model for the binding of Mtb Eis to DUSP16/MKP-7 was generated. In the docking model, the substrate helix containing Lys55 of DUSP16/MKP-7 fits nicely into the active-site cleft of Mtb Eis; the twisted β-sheet of Eis domain II embraces the substrate helix from one side. Most importantly, the side-chain of Lys55 is inserted toward acetyl-CoA and the resulting distance is 4.6 Å between the NZ atom of Lys55 and the carbonyl carbon of the acetyl group in acetyl-CoA. The binding of Mtb Eis and DUSP16/MKP-7 is maintained by strong electrostatic interactions. The active-site cleft of Mtb Eis has a negatively charged surface formed by Asp25, Glu138, Asp286, Glu395 and the terminal carboxylic group of Phe396. In contrast, DUSP16/MKP-7 contains five basic residues, Lys52, Lys55, Arg56, Arg57 and Lys62, which point toward the negatively charged surface of the active-site pocket of Mtb Eis. Thus, the current docking model suggests that the binding of DUSP16/MKP-7 to Mtb Eis should be established by charge complementarity in addition to a very favorable geometric arrangement. The suggested mode of binding requires the dissociation of the hexameric Mtb Eis into dimers or monomers. This study may be useful for future studies aiming to develop inhibitors of Mtb Eis as a new anti-tuberculosis drug candidate.

Water resources data for Michigan, water year 1972; Part 1, Surface water records

USGS Publications Warehouse

,

1973-01-01

Surface-water records for the 1972 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T. R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States". Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan were contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Water resources data for Michigan, water year 1971; Part 1, Surface water records

USGS Publications Warehouse

,

1972-01-01

Surface-water records for the 1971 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T. R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States." Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan were contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Water resources data for Michigan, water year 1973; Part 1, Surface water records

USGS Publications Warehouse

,

1974-01-01

Surface-water records for the 1973 water year for gaging stations, partial-record stations, and miscellaneous sites within the State of Michigan are given in this report. For convenience there are also included records for a few pertinent gaging stations in bordering States. The records were collected and computed by the Water Resources Division of the U.S. Geological Survey, under the direction of T.R. Cummings, district chief. These data represent that portion of the National Water Data System collected by the U.S. Geological Survey and cooperating State and Federal agencies in Michigan. Records of discharge and stage of streams, and contents and stage of lakes or reservoirs are published in a series of U.S. Geological Survey water-supply papers entitled "Surface Water Supply of the United States". Through September 30, 1960, these water-supply papers were in an annual series and since then are in a 5-year series. Since 1951 there have been 20 volumes in the series; each volume covered an area whose boundaries coincided with those of certain natural drainage areas. The records in Michigan are contained in Part 4 of that series. Beginning with the 1961 water year, streamflow records and related data have been released by the Geological Survey in annual reports on a State-boundary basis. Distribution of these basic-data reports is limited and primarily for local needs.

Highly Effective Pt-Based Water-Gas Shift Catalysts by Surface Modification with Alkali Hydroxide Salts

DOE PAGES

Kusche, Matthias; Bustillo, Karen; Agel, Friederike; ...

2015-01-29

Here, we describe an economical and convenient method to improve the performance of Pt/alumina catalysts for the water–gas shift reaction through surface modification of the catalysts with alkali hydroxides according to the solid catalyst with ionic liquid layer approach. The results are in agreement with our findings reported earlier for methanol steam reforming. This report indicates that alkali doping of the catalyst plays an important role in the observed catalyst activation. In addition, the basic and hygroscopic nature of the salt coating contributes to a significant improvement in the performance of the catalyst. During the reaction, a partly liquid filmmore » of alkali hydroxide forms on the alumina surface, which increases the availability of H 2O at the catalytically active sites. Kinetic studies reveal a negligible effect of the KOH coating on the rate dependence of CO and H 2O partial pressures. In conclusion, TEM studies indicate an agglomeration of the active Pt clusters during catalyst preparation; restructuring of Pt nanoparticles occurs under reaction conditions, which leads to a highly active and stable system over 240h time on stream. Excessive pore fillings with KOH introduce a mass transfer barrier as indicated in a volcano-shaped curve of activity versus salt loading. The optimum KOH loading was found to be 7.5wt%.« less

Ligand replacement-induced fluorescence switch of quantum dots for ultrasensitive detection of organophosphorothioate pesticides.

PubMed

Zhang, Kui; Mei, Qingsong; Guan, Guijian; Liu, Bianhua; Wang, Suhua; Zhang, Zhongping

2010-11-15

The development of a simple and on-site assay for the detection of organophosphorus pesticed residues is very important for food safety and exosystem protection. This paper reports the surface coordination-originated fluorescence resonance energy transfer (FRET) of CdTe quantum dots (QDs) and a simple ligand-replacement turn-on mechanism for the highly sensitive and selective detection of organophosphorothioate pesticides. It has been demonstrated that coordination of dithizone at the surface of CdTe QDs in basic media can strongly quench the green emission of CdTe QDs by a FRET mechanism. Upon the addition of organophosphorothioate pesticides, the dithizone ligands at the CdTe QD surface are replaced by the hydrolyzate of the organophosphorothioate, and hence the fluorescence is turned on. The fluorescence turn on is immediate, and the limit of detection for chlorpyrifos is as low as ∼0.1 nM. Two consecutive linear ranges allow a wide determination of chlorpyrifos concentrations from 0.1 nM to 10 μM. Importantly, the fluorescence turn-on chemosensor can directly detect chlorpyrifos residues in apples at a limit of 5.5 ppb, which is under the maximum residue limit allowed by the U.S. Environmental Protection Agency. The very simple strategy reported here should facilitate the development of fluorescence turn-on chemosensors for chemo/biodetection.

Geomorphologic flood-hazard assessment of alluvial fans and piedmonts

USGS Publications Warehouse

Field, J.J.; Pearthree, P.A.

1997-01-01

Geomorphologic studies are an excellent means of flood-hazard assessment on alluvial fans and piedmonts in the southwestern United States. Inactive, flood-free, alluvial fans display well developed soils, desert pavement, rock varnish, and tributary drainage networks. These areas are easily distinguished from flood-prone active alluvial fans on aerial photographs and in the field. The distribution of flood-prone areas associated with alluvial fans is strongly controlled by fanhead trenches dissecting the surface. Where fanhead trenches are permanent features cut in response to long-term conditions such as tectonic quiescence, flood-prone surfaces are situated down-slope from the mountain front and their positions are stable for thousands of years. Since the length and permanency of fanhead trenches can vary greatly between adjacent drainages, it is not appropriate to use regional generalizations to evaluate the distribution and stability of flood-hazard zones. Site-specific geomorphologic studies must be carried out if piedmont areas with a high risk of flooding are to be correctly identified and losses due to alluvial-fan flooding minimized. To meet the growing demand for trained professionals to complete geomorphologic maps of desert piedmonts, undergraduate and graduate geomorphology courses should adopt an instructional unit on alluvial-fan flood hazards that includes: 1) a review of geomorphologic characteristics that vary with surface age; 2) a basic mapping exercise; and 3) a discussion of the causes of fanhead trenching.

Proton dynamics and surface heterogeneity of silica gel with adsorbed benzene below one monolayer coverage

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

Peterson, E.M.; O'Reilly, D.E.; Tsangb), T.

1979-04-01

Proton and deuteron NMR relaxation times of C/sub 6/H/sub 6/, C/sub 6/D/sub 6/, and mixtures of these molecules have been measured on a superpure silica gel (SPSG) and a sample of a Matheson silica gel (MSG) both dehydrated at 600/sup 0/ C and rotational (intramolecular) and translational (intermolecular) correlation times have been computed from the relaxation time data at a statistical coverage theta=0.6. Three kinds of adsorption sites have been observed: (1) A sites, which are probably oxygen vacancies on the surface, (2) B sites which are assigned to paired hydroxyl groups on the surface, and finally (3) C sitesmore » which comprise 80% of the occupied surface and are primarily isolated hydroxyl groups. Rotational and translational motions are highly correlated for the A and B site molecules. The mean number of molecules clustered at the A and B sites are inferred from the intermolecular second moments associated with each of these sites. The surface density of the A sites is 1.1 x 10/sup 12/ cm/sup -2/ for SPSG and 3.1 x 10/sup 12/ cm/sup -2/ for MSG.« less

Land cover effects on thresholds for surface runoff generation in Eastern Madagascar

NASA Astrophysics Data System (ADS)

van Meerveld, Ilja H. J.; Prasad Ghimire, Chandra; Zwartendijk, Bob W.; Ravelona, Maafaka; Lahitiana, Jaona; Bruijnzeel, L. Adrian

2016-04-01

Reforestation and natural regrowth in the tropics are promoted for a wide range of benefits, including carbon sequestration, land rehabilitation and streamflow regulation. However, their effects on runoff generation mechanisms and streamflow are still poorly understood. Evaporative losses (transpiration and interception) likely increase with forest regrowth, while infiltration rates are expected to increase and surface runoff occurrence is, therefore, expected to decrease. As part of a larger project investigating the effects of land use on hydrological processes in upland Eastern Madagascar, this presentation reports on a comparison of the thresholds for surface runoff generation at a degraded grassland site, a young secondary forest site (5-7 years; LAI 1.83) and a mature secondary forest site (ca. 20 years; LAI 3.39). Surface runoff was measured on two (young and mature secondary forest) or three (degraded site) 3 m by 10 m plots over a one-year period (October 2014-September 2015). Soil moisture was measured at four (degraded site) to six depths (both forests), while perched groundwater levels were measured in piezometers installed at 30 cm below the soil surface. Soil hydraulic conductivity was measured in situ at the surface and at 10-20 and 20-30 cm depths at three locations in each plot. Porosity, moisture content at field capacity and bulk density were determined from soil cores taken at 2.5-7.5, 12.5-17.5 and 22.5-27.5 cm depth. The porosity and texture of the different plots were comparable. The hydraulic conductivity of the soil differed between the different land uses and declined sharply at 20-30 cm below the soil surface. Total surface runoff during the study period was 11% of incident rainfall at the degraded site vs. 2% for the two secondary forest sites. Maximum monthly runoff coefficients were 22%, 3.5% and 2.7% for the degraded site, the young forest site and the mature forest site, respectively, but individual event runoff coefficients could be as high as 45%, 12%, and 10%, respectively. Initial analyses indicate that a threshold rainfall amount was required before surface runoff occurs. Comparison of surface runoff occurrence with perched groundwater levels and soil moisture data showed that surface runoff was generated once the top-soil (0-20 cm) became saturated because of impeded drainage to the low hydraulic conductivity deeper layers. Thresholds for saturation overland flow generation were higher at the two forested sites compared to the degraded grassland due to their greater percolation to deeper layers, faster shallow lateral flow, and larger available storage in the top layers. The detailed analyses of the soil moisture and rainfall thresholds for surface runoff generation and their temporal variation will be used to develop a bucket-based conceptual model for runoff generation at these upland tropical sites. Key words: Runoff plot, rainfall threshold, soil moisture, saturation overland flow, secondary forest, soil hydraulic conductivity, Madagascar, p4ges project

Galaxy of Images

Science.gov Websites

This site has moved! Please go to our new Image Gallery site! dot header Basic Image Search Options dot header Search Tips Enter a keyword term below: Submit Use this search to find ANY words you Irish Lion Cubs Taxonomic (Scientific) Keyword Search: Submit Many of the images in the Galaxy of Images

The microcomputer scientific software series 8: the SYCOOR users manual.

Treesearch

Edgar E. Gutierrez-Espeleta; Gary J. Brand

1993-01-01

Describes how to use SYCOOR, an interactive Macintosh program written in BASIC for computing and adjusting synecological coordinates. Site synecological coordinates are indices of moisture, nutrients, heat, and light computed from lists of plant species present at the site. Graphs of a species` distribution in moisture-nutrient and heat-light space are also displayed...

Avian paramyxovirus serotype 1 strains of low virulence with unusual fusion protein cleavage sites isolated from poultry species

USDA-ARS?s Scientific Manuscript database

Avian paramyxo-serotype-1 viruses (APMV1) with fusion cleavage sites containing two basic amino acids and a phenylalanine (F) at position 117 have been isolated from poultry species in two states from 2007-2009. The intracerebral pathogenicity indices for these viruses are of low virulence at 0.00 ...

A Novel DNA Binding Mechanism for maf Basic Region-Leucine Zipper Factors Inferred from a MafA-DNA Complex Structure and Binding Specificities

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

Lu, Xun; Guanga, Gerald P; Wan, Cheng

2012-11-13

MafA is a proto-oncoprotein and is critical for insulin gene expression in pancreatic β-cells. Maf proteins belong to the AP1 superfamily of basic region-leucine zipper (bZIP) transcription factors. Residues in the basic helix and an ancillary N-terminal domain, the Extended Homology Region (EHR), endow maf proteins with unique DNA binding properties: binding a 13 bp consensus site consisting of a core AP1 site (TGACTCA) flanked by TGC sequences and binding DNA stably as monomers. To further characterize maf DNA binding, we determined the structure of a MafA–DNA complex. MafA forms base-specific hydrogen bonds with the flanking G –5C –4 andmore » central C 0/G 0 bases, but not with the core-TGA bases. However, in vitro binding studies utilizing a pulse–chase electrophoretic mobility shift assay protocol revealed that mutating either the core-TGA or flanking-TGC bases dramatically increases the binding off rate. Comparing the known maf structures, we propose that DNA binding specificity results from positioning the basic helix through unique phosphate contacts. The EHR does not contact DNA directly but stabilizes DNA binding by contacting the basic helix. Collectively, these results suggest a novel multistep DNA binding process involving a conformational change from contacting the core-TGA to contacting the flanking-TGC bases.« less

Protonation switching to the least-basic heteroatom of carbamate through cationic hydrogen bonding promotes the formation of isocyanate cations.

PubMed

Kurouchi, Hiroaki; Sumita, Akinari; Otani, Yuko; Ohwada, Tomohiko

2014-07-07

We found that phenethylcarbamates that bear ortho-salicylate as an ether group (carbamoyl salicylates) dramatically accelerate OC bond dissociation in strong acid to facilitate generation of isocyanate cation (N-protonated isocyanates), which undergo subsequent intramolecular aromatic electrophilic cyclization to give dihydroisoquinolones. To generate isocyanate cations from carbamates in acidic media as electrophiles for aromatic substitution, protonation at the ether oxygen, the least basic heteroatom, is essential to promote CO bond cleavage. However, the carbonyl oxygen of carbamates, the most basic site, is protonated exclusively in strong acids. We found that the protonation site can be shifted to an alternative basic atom by linking methyl salicylate to the ether oxygen of carbamate. The methyl ester oxygen ortho to the phenolic (ether) oxygen of salicylate is as basic as the carbamate carbonyl oxygen, and we found that monoprotonation at the methyl ester oxygen in strong acid resulted in the formation of an intramolecular cationic hydrogen bond (>CO(+) H⋅⋅⋅O<) with the phenolic ether oxygen. This facilitates OC bond dissociation of phenethylcarbamates, thereby promoting isocyanate cation formation. In contrast, superacid-mediated diprotonation at the methyl ester oxygen of the salicylate and the carbonyl oxygen of the carbamate afforded a rather stable dication, which did not readily undergo CO bond dissociation. This is an unprecedented and unknown case in which the monocation has greater reactivity than the dication. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Basic surface-active properties in the homologous series of β-alkyl (C12H25/C18H37) polyethyleneoxy (n = 0-20) propionamides

PubMed Central

2013-01-01

Background Heterogeneous β-Alkyl (C12H25/C18H37) polyethyleneoxy (n = 0-20) propionamides [R(EO)nPD] represent new “hybrid” nonionic-ionic colloidal structures in the field of surface-active products (technical products). These “niche” compounds have three structural and compositional characteristics that also define their basic colloidal properties: mixture of R and PEO chain homologues; specific conformations due to the PEO chains; and the presence of side products from the addition of higher alcohols, polyethyleneglycols and traces of water to acrylamide. The proposed major objective of this paper is the basic informative colloidal characterization (functional classification, HLB balance, surface tension, critical micelle concentration) in direct correlation with the structural changes in the homologous series of LM(EO)nPD and CS(EO)nPD. The structures were obtained either indirectly by cyanoethylation followed by partial acid hydrolysis of the corresponding β-propionitriles, or directly by the nucleophilic addition under alkaline catalysis of linear higher alcohols C12H25/C14H29 (7/3) (LM) and C16H33/C18H37 (CS) as such and heterogeneous polyethoxylated (n = 3-20) to acrylamide monomer, through an adapted classic reaction scheme. Results In the series of basic colloidal characteristics investigated the structure-surface activity dependence is confirmed. Their indicative character for R(EO)nPD is based on the assumption that the structures studied are not unitary (heterogeneous) because: a) the hydrophobic chains C12H25/C18H37 have been grouped in two variants, C12H25/C14H29 (LM); C16H33/C18H37 (CS), each with an internal mass ratio of 7/3; b) the hydrophilic polyoxyethylene chains (n = 3-20) have polydisperse character; the meaning and value the oligomerization degree, n, is that of weighted average. In these conditions the surface tension increases proportionally with the oligomerization degree of the polyoxyethylene chain, while the critical micelle concentration decreases in the same homologous series as well as with the increase of the hydrophobic chain in the C12H25 to C18H37 series. A mechanism of micellization is proposed, consistent with the experimental data recorded and the hypotheses known from the consulted literature. Conclusions The idea of the obtaining and basic colloidal characterization of heterogeneous R(EO)nPD is justified. The knowledge and constructive approach of the heterogeneous character confirm the basic surface-active potential of R(EO)nPD, the structure-colloidal characteristics dependence and justifies further, more extensive research. PMID:23406530

Designing Playgrounds for Multifamily Dwellings

ERIC Educational Resources Information Center

Corrado, Paul

1978-01-01

Substantive, cost-sensitive guidelines are offered for determining basic playground needs, performance specifications, and site location, as well as construction techniques, for playgrounds servicing multi-family dwellings. (MJB)

Systematic Approach to Identifying Deeply Buried Archeological Deposits

DOT National Transportation Integrated Search

2018-02-01

Traditional methods used to discover archeological sites include pedestrian surface surveys and relatively shallow hand-dug shovel or soil core testing. While these methods are appropriate for locating surface and near-surface sites on ridges, hillto...

A surface complexation and ion exchange model of Pb and Cd competitive sorption on natural soils

NASA Astrophysics Data System (ADS)

Serrano, Susana; O'Day, Peggy A.; Vlassopoulos, Dimitri; García-González, Maria Teresa; Garrido, Fernando

2009-02-01

The bioavailability and fate of heavy metals in the environment are often controlled by sorption reactions on the reactive surfaces of soil minerals. We have developed a non-electrostatic equilibrium model (NEM) with both surface complexation and ion exchange reactions to describe the sorption of Pb and Cd in single- and binary-metal systems over a range of pH and metal concentration. Mineralogical and exchange properties of three different acidic soils were used to constrain surface reactions in the model and to estimate surface densities for sorption sites, rather than treating them as adjustable parameters. Soil heterogeneity was modeled with >FeOH and >SOH functional groups, representing Fe- and Al-oxyhydroxide minerals and phyllosilicate clay mineral edge sites, and two ion exchange sites (X - and Y -), representing clay mineral exchange. An optimization process was carried out using the entire experimental sorption data set to determine the binding constants for Pb and Cd surface complexation and ion exchange reactions. Modeling results showed that the adsorption of Pb and Cd was distributed between ion exchange sites at low pH values and specific adsorption sites at higher pH values, mainly associated with >FeOH sites. Modeling results confirmed the greater tendency of Cd to be retained on exchange sites compared to Pb, which had a higher affinity than Cd for specific adsorption on >FeOH sites. Lead retention on >FeOH occurred at lower pH than for Cd, suggesting that Pb sorbs to surface hydroxyl groups at pH values at which Cd interacts only with exchange sites. The results from the binary system (both Pb and Cd present) showed that Cd retained in >FeOH sites decreased significantly in the presence of Pb, while the occupancy of Pb in these sites did not change in the presence of Cd. As a consequence of this competition, Cd was shifted to ion exchange sites, where it competes with Pb and possibly Ca (from the background electrolyte). Sorption on >SOH functional groups increased with increasing pH but was small compared to >FeOH sites, with little difference between single- and binary-metal systems. Model reactions and conditional sorption constants for Pb and Cd sorption were tested on a fourth soil that was not used for model optimization. The same reactions and constants were used successfully without adjustment by estimating surface site concentrations from soil mineralogy. The model formulation developed in this study is applicable to acidic mineral soils with low organic matter content. Extension of the model to soils of different composition may require selection of surface reactions that account for differences in clay and oxide mineral composition and organic matter content.

Internal Reflection Spectra of Surface Compounds and Adsorbed Molecules

NASA Astrophysics Data System (ADS)

Zolotarev, V. M.; Lygin, V. I.; Tarasevich, B. N.

1981-01-01

The application of attenuated total reflection (ATR) spectroscopy in surface studies of inorganic adsorbents and catalysts, polymers, and optically transparent electrodes is discussed. The basic principles of ATR spectroscopy as applied to surface phenomena are considered, with special reference to thin films, industrial adsorbents and catalysts, and polymer degradation processes. 276 references.

Effects of rainfall and surface flow on chemical diffusion from soil to runoff water

USDA-ARS?s Scientific Manuscript database

Although basic processes of diffusion and convection have been used to quantify chemical transport from soil to surface runoff, there are little research results actually showing how these processes were affected by rainfall and surface flow. We developed a laboratory flow cell and a sequence of exp...

The Application of the NFW Design Philosophy to the HSR Arrow Wing Configuration

NASA Technical Reports Server (NTRS)

Bauer, Steven X. S.; Krist, Steven E.

1999-01-01

The Natural Flow Wing design philosophy was developed for improving performance characteristics of highly-swept fighter aircraft at cruise and maneuvering conditions across the Mach number range (from Subsonic through Supersonic). The basic philosophy recognizes the flow characteristics that develop on highly swept wings and contours the surface to take advantage of those flow characteristics (e.g., forward facing surfaces in low pressure regions and aft facing surfaces in higher pressure regions for low drag). Because the wing leading edge and trailing edge have multiple sweep angles and because of shocks generated on nacelles and diverters, a viscous code was required to accurately define the surface pressure distributions on the wing. A method of generating the surface geometry to take advantage of those surface pressures (as well as not violating any structural constraints) was developed and the resulting geometries were analyzed and compared to a baseline configuration. This paper will include discussions of the basic Natural Flow Wing design philosophy, the application of the philosophy to an HSCT vehicle, and preliminary wind-tunnel assessment of the NFW HSCT vehicle.

Peptide adsorption on the hydrophobic surface: A free energy perspective

NASA Astrophysics Data System (ADS)

Sheng, Yuebiao; Wang, Wei; Chen, P.

2011-05-01

Protein adsorption is a very attractive topic which relates to many novel applications in biomaterials, biotechnology and nanotechnology. Ionic complementary peptides are a group of novel nano-biomaterials with many biomedical applications. In this work, molecular dynamics simulations of the ionic-complementary peptide EAK16-II on a hydrophobic graphite surface were performed under neutral, acidic and basic solution conditions. Adsorption free energy contour maps were obtained by analyzing the dynamical trajectories. Hydrophobic interactions were found to govern the adsorption of the first peptide molecule, and both hydrophobic and electrostatic interactions contributed to the adsorption of the second peptide molecule. Especially under acidic and basic solution conditions, interplay existed among chain-chain hydrophobic, chain-surface hydrophobic and chain-chain electrostatic interactions during the adsorption of the second peptide molecule. Non-charged residues were found to lie on the graphite surface, while charged residue side-chains oriented towards the solution after the peptide deposited on the surface. These results provide a basis for understanding peptide adsorption on the hydrophobic surface under different solution conditions, which is useful for novel applications such as bioactive implant devices and drug delivery material design.

Direct-current resistivity profiling at the Pecos River Ecosystem Project study site near Mentone, Texas, 2006

USGS Publications Warehouse

Teeple, Andrew; McDonald, Alyson K.; Payne, Jason; Kress, Wade H.

2009-01-01

The U.S. Geological Survey, in cooperation with Texas A&M University AgriLife, did a surface geophysical investigation at the Pecos River Ecosystem Project study site near Mentone in West Texas intended to determine shallow (to about 14 meters below the water [river] surface) subsurface composition (lithology) in and near treated (eradicated of all saltcedar) and control (untreated) riparian zone sites during June-August 2006. Land-based direct-current resistivity profiling was applied in a 240-meter section of the riverbank at the control site, and waterborne direct-current continuous resistivity profiling (CRP) was applied along a 2.279-kilometer reach of the river adjacent to both sites to collect shallow subsurface resistivity data. Inverse modeling was used to obtain a nonunique estimate of the true subsurface resistivity from apparent resistivity calculated from the field measurements. The land-based survey showed that the sub-surface at the control site generally is of relatively low resis-tivity down to about 4 meters below the water surface. Most of the section from about 4 to 10 meters below the water surface is of relatively high resistivity. The waterborne CRP surveys convey essentially the same electrical representation of the lithology at the control site to 10 meters below the water surface; but the CRP surveys show considerably lower resistivity than the land-based survey in the subsection from about 4 to 10 meters below the water surface. The CRP surveys along the 2.279-kilometer reach of the river adjacent to both the treated and control sites show the same relatively low resistivity zone from the riverbed to about 4 meters below the water surface evident at the control site. A slightly higher resistivity zone is observed from about 4 to 14 meters below the water surface along the upstream approximately one-half of the profile than along the downstream one-half. The variations in resistivity could not be matched to variations in lithology because sufficient rock samples were not available.

Job-Oriented Basic Skills (JOBS) Program for the Acoustic Sensor Operations Strand.

ERIC Educational Resources Information Center

U'Ren, Paula Kabance; Baker, Meryl S.

An effort was undertaken to develop a job-oriented basic skills curriculum appropriate for the acoustic sensor operations area, which includes members of four ratings: ocean systems technician, aviation antisubmarine warfare operator, sonar technician (surface), and sonar technician (submarine). Analysis of the job duties of the four ratings…

The Relationship among Student Basic Need Satisfaction, Approaches to Learning, Reporting of Avoidance Strategies and Achievement

ERIC Educational Resources Information Center

Betoret, Fernando Domenech; Artiga, Amparo Gomez

2011-01-01

Introduction: This study examines the relationship between student basic need satisfaction (autonomy, competence, relatedness and belonging), their reporting of approaches to learning (deep and surface), their reporting of avoidance strategies (avoidance of effort and challenge, avoidance of help seeking and preference to avoid novelty) and…

Basic Science Considerations in Primary Total Hip Replacement Arthroplasty

PubMed Central

Mirza, Saqeb B; Dunlop, Douglas G; Panesar, Sukhmeet S; Naqvi, Syed G; Gangoo, Shafat; Salih, Saif

2010-01-01

Total Hip Replacement is one of the most common operations performed in the developed world today. An increasingly ageing population means that the numbers of people undergoing this operation is set to rise. There are a numerous number of prosthesis on the market and it is often difficult to choose between them. It is therefore necessary to have a good understanding of the basic scientific principles in Total Hip Replacement and the evidence base underpinning them. This paper reviews the relevant anatomical and biomechanical principles in THA. It goes on to elaborate on the structural properties of materials used in modern implants and looks at the evidence base for different types of fixation including cemented and uncemented components. Modern bearing surfaces are discussed in addition to the scientific basis of various surface engineering modifications in THA prostheses. The basic science considerations in component alignment and abductor tension are also discussed. A brief discussion on modular and custom designs of THR is also included. This article reviews basic science concepts and the rationale underpinning the use of the femoral and acetabular component in total hip replacement. PMID:20582240