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Sample records for situ structure-function studies

  1. One Step Propylene Epoxidation by Size Selected Subnanometer Cluster Silver Catalysts: Structure-Function Relationships Resolved Through in Situ Studies

    NASA Astrophysics Data System (ADS)

    Tyo, Eric; Yang, Bing; Debartolo, Janae; Seifert, Sonke; Vajda, Stefan

    2014-03-01

    The selective partial oxidation of propylene at low temperatures is accomplished by soft-landed, size selected subnanometer Ag clusters. The activity and selectivity for the creation of propylene oxide vs. acrolein is found to be size and support dependent, determined through the temperature programmed reactivity (TPRx) investigation of three cluster sizes between 3 and 20 atoms and three supports (Al2O3, TiO2, and ZnO). in Situ synchrotron X-ray characterization including Grazing Incidence Small Angle X-ray Scattering (GISAXS) and Grazing Incidence X-ray Absorption Spectroscopy (GIXAS) were performed to determine structural morphology and oxidation state during catalytic activity. The oxidation state of the Agn clusters (GIXAS) varies significantly due to size and support. At higher temperatures, changes in size due to assembly are observed through GISAXS with marked dependence on support with aggregates presenting distinct chemical properties and activity. Utilizing the presented method of catalyst synthesis and in situ characterization, it is feasible to investigate single active sites without the convolution that occurs in many studies from a range of particles sizes and active sites being present.

  2. Two-dimensional boron nitride structures functionalization: first principles studies.

    PubMed

    Ponce-Pérez, R; Cocoletzi, Gregorio H; Takeuchi, Noboru

    2016-09-01

    Density functional theory calculations have been performed to investigate two-dimensional hexagonal boron nitride (2D hBN) structures functionalization with organic molecules. 2x2, 4x4 and 6x6 periodic 2D hBN layers have been considered to interact with acetylene. To deal with the exchange-correlation energy the generalized gradient approximation (GGA) is invoked. The electron-ion interaction is treated with the pseudopotential method. The GGA with the Perdew-Burke-Ernzerhoff (PBE) functionals together with van der Waals interactions are considered to deal with the composed systems. To investigate the functionalization two main configurations have been explored; in one case the molecule interacts with the boron atom and in the other with the nitrogen atom. Results of the adsorption energies indicate chemisorption in both cases. The total density of states (DOS) displays an energy gap in both cases. The projected DOS indicate that the B-p and N-p orbitals are those that make the most important contribution in the valence band and the H-s and C-p orbitals provide an important contribution in the conduction band to the DOS. Provided that the interactions of the acetylene with the 2D layer modify the structural and electronic properties of the hBN the possibility of structural functionalization using organic molecules may be concluded.

  3. Two-dimensional boron nitride structures functionalization: first principles studies.

    PubMed

    Ponce-Pérez, R; Cocoletzi, Gregorio H; Takeuchi, Noboru

    2016-09-01

    Density functional theory calculations have been performed to investigate two-dimensional hexagonal boron nitride (2D hBN) structures functionalization with organic molecules. 2x2, 4x4 and 6x6 periodic 2D hBN layers have been considered to interact with acetylene. To deal with the exchange-correlation energy the generalized gradient approximation (GGA) is invoked. The electron-ion interaction is treated with the pseudopotential method. The GGA with the Perdew-Burke-Ernzerhoff (PBE) functionals together with van der Waals interactions are considered to deal with the composed systems. To investigate the functionalization two main configurations have been explored; in one case the molecule interacts with the boron atom and in the other with the nitrogen atom. Results of the adsorption energies indicate chemisorption in both cases. The total density of states (DOS) displays an energy gap in both cases. The projected DOS indicate that the B-p and N-p orbitals are those that make the most important contribution in the valence band and the H-s and C-p orbitals provide an important contribution in the conduction band to the DOS. Provided that the interactions of the acetylene with the 2D layer modify the structural and electronic properties of the hBN the possibility of structural functionalization using organic molecules may be concluded. PMID:27566317

  4. Photon structure function

    SciTech Connect

    Bardeen, W.A.

    1980-11-01

    Theoretical understanding of the photon structure function is reviewed. As an illustration of the pointlike component, the parton model is briefly discussed. However, the systematic study of the photon structure function is presented through the framework of the operator product expansion. Perturbative QCD is used as the theoretical basis for the calculation of leading contributions to the operator product expansion. The influence of higher order QCD effects on these results is discussed. Recent results for the polarized structure functions are discussed.

  5. Challenges in determining causation in structure-function studies using molecular biological techniques.

    PubMed

    de los Reyes, Francis L

    2010-09-01

    The use of molecular biological techniques for determining the levels and types of different microbial populations in bioreactors has led to the emergence of the microbial community 'structure-function' paradigm that is often used in research. Typically, lab- or full-scale systems are monitored for the relevant parameters, and these parameters are related to the changes in microbial populations. Research in activated sludge phenomena, such as filamentous bulking, filamentous foaming, nitrogen removal, and phosphorus removal, are replete with many examples of this 'structure-function' paradigm, most commonly those that involve 16S rRNA gene-based analysis of the microbial populations. In many cases, such studies assume a causal microbial population (e.g., a species that causes bulking or foaming), or conclude in identifying a causal population. However, assigning cause to specific organisms and populations is problematic in a complex environment such as wastewater bioreactors. The Koch-Henle postulates, the gold standard in evaluating causation of disease, have limitations when applied to systems with mixed microbial communities with complex interactions, particularly if pure cultures are not available. Molecular techniques that allow specific identification and quantification of organisms have been used by researchers to overcome the limitations of culture-based techniques, and at the same time, raised new questions on the applicability of causation postulates in environmental systems. In this paper, various causation criteria improving on the Koch-Henle postulates are presented. Complicating issues in assigning cause in wastewater bioreactors are identified. Approaches for determining cause-effect relationships are illustrated using 16S rDNA-based investigations of filaments that cause bulking and foaming in activated sludge. The hope is that a causation framework that accounts for the assumptions in molecular studies, as applied to wastewater treatment research

  6. Theoretical studies of structure, function and reactivity of molecules— A personal account

    PubMed Central

    Morokuma, Keiji

    2009-01-01

    Last few decades theoretical/computational studies of structure, function and reactivity of molecules have been contributing significantly in chemistry by explanation of experimental results, better understanding of underlying principles and prediction of the unknown experimental outcome. Accuracy needed in chemistry has long been established, but due to high power dependency of such accurate methods on the molecular size, it has been a major challenge to apply theoretical methods to large molecular systems. In the present article we will review some examples of such applications. One is theoretical study of growth/formation of carbon nanostructures such as fullerenes and carbon nanotubes, using quantum mechanical molecular dynamics method. For growth of single walled carbon nanotube from transition metal cluster, we have demonstrated continued growth of attached nanotube, cap formation and growth from small carbon fragments. For homogeneous catalysis we presented results of studies on N2 activation by Zr complexes. For biomolecular reactions we use active site and protein models and show that in some catalyses the protein environment is involved in reactions and changes the preferred pathway, and in some other case the effect is modest. The review is concluded with a perspective. PMID:19444009

  7. Structure-function relationships underlying calculation: a combined diffusion tensor imaging and fMRI study.

    PubMed

    van Eimeren, L; Grabner, R H; Koschutnig, K; Reishofer, G; Ebner, F; Ansari, D

    2010-08-01

    Both neuropsychological and functional neuroimaging studies have identified brain regions that are critical for the neurocognitive processes related to the calculation of arithmetic problems. In particular, the left angular gyrus (lAG) has been repeatedly implicated in arithmetic problem solving and found to be most activated during the retrieval of arithmetic facts. While significant progress has been made in determining the functional role of specific grey matter areas underlying calculation, very little is known about the relationship between these activated regions and their underlying white matter structures. In this study, we collected both diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI) data while participants performed a mental arithmetic task. Fractional anisotropy (FA) values were extracted from predefined, hypothesis-driven, white matter regions and correlated with fMRI activation values, which were extracted from anatomically defined grey matter regions. Results indicated structure-function relationships on multiple levels. Specifically, a link between the integrity of the left superior corona radiata (SCR) and neural activity in the lAG during calculation was observed, which was found to be particularly strong for problems that have a high probability of being solved via the retrieval of arithmetic facts (problems with a relatively small problem size). The findings reported provide a link between functional activation and structural integrity of grey and white matter regions in the left temporoparietal cortex, thereby contributing to our understanding of the role of both the function and structure of this brain region in calculation. PMID:20382234

  8. Use of Synthetic Peptides to Study Structure-Function Relationships of Matrix Metalloproteinases and Their Substrates.

    NASA Astrophysics Data System (ADS)

    Netzel-Arnett, Sarah Joann

    The matrix metalloproteinases (MMPs) are a family of zinc proteinases that is collectively capable of degrading the major components of the extracellular matrix. A variety of synthetic peptides has been prepared which are models for the human MMP and their substrates to study structure -function relationships in this enzyme-substrate system. To elucidate the sequence specificity of the MMP, the k _{cat}/K_ M values for the hydrolysis of over 50 synthetic octapeptides has been investigated. Similarities, as well as distinct differences have been found between the individual MMP with the largest differences occurring at subsites P_1, P_1^' and P_3 ^'. Based on these data, quenched -fluorescence substrates with optimized sequences have been developed for five human MMP. The key features of these heptapeptides are a tryptophan on the P_ n^' side and a dinitrophenol quenching group on the amino terminus. To assess the role of the triple helical conformation in the collagenase-collagen system, a series of triple helical peptides has been prepared and shown to compete with collagen in collagenase assays. This provides evidence for the existence of a triple helical recognition site distinct from the active site. All of the MMP are secreted as zymogens and it has been postulated that the portion of the propeptide surrounding a critical cysteine is responsible for maintaining latency. Conformational energy calculations and mutagenesis studies have suggested that this region adopts a specific conformation that stabilizes the latent form. Peptide models of this region of the propeptide have been prepared and shown to inhibit the MMP. CD and NMR studies, however, have failed to provide evidence for the predicted peptide conformation. Thus, the observed inhibition may reflect their propensity to adopt the propeptide conformation upon binding to the enzyme.

  9. Genetic and structure-function studies of missense mutations in human endothelial lipase.

    PubMed

    Razzaghi, Hamid; Tempczyk-Russell, Anna; Haubold, Kurt; Santorico, Stephanie A; Shokati, Touraj; Christians, Uwe; Churchill, Mair E A

    2013-01-01

    Endothelial lipase (EL) plays a pivotal role in HDL metabolism. We sought to characterize EL and its interaction with HDL as well as its natural variants genetically, functionally and structurally. We screened our biethnic population sample (n = 802) for selected missense mutations (n = 5) and identified T111I as the only common variant. Multiple linear regression analyses in Hispanic subjects revealed an unexpected association between T111I and elevated LDL-C (p-value = 0.012) and total cholesterol (p-value = 0.004). We examined lipase activity of selected missense mutants (n = 10) and found different impacts on EL function, ranging from normal to complete loss of activity. EL-HDL lipidomic analyses indicated that EL has a defined remodeling of HDL without exhaustion of the substrate and a distinct and preference for several fatty acids that are lipid mediators and known for their potent pro- and anti-inflammatory properties. Structural studies using homology modeling revealed a novel α/β motif in the C-domain, unique to EL. The EL dimer was found to have the flexibility to expand and to bind various sizes of HDL particles. The likely impact of the all known missense mutations (n = 18) on the structure of EL was examined using molecular modeling and the impact they may have on EL lipase activity using a novel structure-function slope based on their structural free energy differences. The results of this multidisciplinary approach delineated the impact of EL and its variants on HDL. Moreover, the results suggested EL to have the capacity to modulate vascular health through its role in fatty acid-based signaling pathways. PMID:23536757

  10. A detailed study of nucleon structure function in nuclei in the valence quark region

    SciTech Connect

    Bianchi, N.

    1994-04-01

    The so called {open_quotes}EMC effect{close_quotes} discovered during the 1980`s, has caused a big controversy in the community of nuclear and high energy physicists; during the last ten years, five experiments have been performed in different laboratories and several hundreds of papers about the possible interpretation of the modification of the nucleon structure function inside nuclei have been published. However, from the experimental point of view, the main goal of four experiments (EMC, BCDMS, NMC, FNAL) has been to emphasize the region of low x{sub b}, where shadowing effects appear. In the region of valence quarks and nuclear effects (x{sub b} > 0.1 - 0.2) the most reliable data presently available are from the SLAC E139 experiment performed in 1983 with only 80 hours of beam time. New precise data in the valence quark region are necessary to measure separate structure functions F{sub 2}(x{sub b}, Q{sup 2}) and R{sup lt}(x{sub b},Q{sup 2}) = {sigma}{sub l}/{sigma}{sub t}, and to investigate the real A-dependence of the ratio between bound and free-nucleon structure functions which is not completely defined by the SLAC data. Moreover, from the nuclear physics point of view, a measurement on some unexplored nuclei, like {sup 3}He and {sup 48}Ca, would be of great interest. The intermediate scaling region (0.1 < x{sub b} < 0.7) would be accessible at CEBAF if the machine energy will reach 6-8 GeV, as suggested by all the tests performed on the RF cavities. This physics program has been already presented in two letter of intents.

  11. Structure-function studies of DNA damage using AB INITIO quantum mechanics and molecular dynamics simulation

    SciTech Connect

    Miller, J.; Miaskiewicz, K.; Osman, R.

    1993-12-01

    Studies of ring-saturated pyrimidine base lesions are used to illustrate an integrated modeling approach that combines quantum-chemical calculations with molecular dynamics simulation. Electronic-structure calculations on the lesions in Isolation reveal strong conformational preferences due to interactions between equatorial substituents to the pyrimidine ring. Large distortions of DNA should result when these interactions force the methyl group of thymine to assume an axial orientation, as is the case for thymine glycol but not for dihydrothymine. Molecular dynamics simulations of the dodecamer d(CGCGAATTCGCG){sub 2} with and without a ring-saturated thymine lesion at position T7 support this conclusion. Implications of these studies for recognition of thymine lesions by endonuclease III are also discussed.

  12. Structural-functional insights and studies on saccharide binding of Sophora japonica seed lectin.

    PubMed

    Yadav, Priya; Shahane, Ganesh; Ramasamy, Sureshkumar; Sengupta, Durba; Gaikwad, Sushama

    2016-10-01

    Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GalNAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GalNAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. PMID:27185070

  13. Effects of 940 Hz EMF on luciferase solution: structure, function, and dielectric studies.

    PubMed

    Sefidbakht, Yahya; Hosseinkhani, Saman; Mortazavi, Mojtaba; Tavakkolnia, Iman; Khellat, Mohammad R; Shakiba-Herfeh, Mahdi; Saviz, Mehrdad; Faraji-Dana, Reza; Saboury, Ali A; Sheibani, Nader; Moosavi-Movahedi, Ali A

    2013-09-01

    We designed a rectangular waveguide exposure system to study the effects of mobile phone frequency (940 MHz) electromagnetic fields (EMF) on luciferase structure and activity. The luciferase activity of exposed samples was significantly higher than that of unexposed samples. Dynamic light scattering of the exposed samples showed smaller hydrodynamic radii compared to unexposed samples (20 nm vs. 47 nm ± 5%). The exposed samples also showed less tendency to form aggregates, monitored by turbidity measurements at l = 360 nm. A microwave dielectric measurement was performed to study the hydration properties of luciferase solutions with a precision network analyzer over frequency ranges from 0.2 to 20 GHz before and after exposure. The change in the dielectric properties of the exposed luciferase solution was related to the disaggregation potency of the applied field. Together, our results suggested that direct interactions with luciferase molecules and its dipole moment were responsible for the reduced aggregation and enhanced luciferase activity upon exposure to the EMF. PMID:23633149

  14. Structure-Functional Study of Tyrosine and Methionine Dipeptides: An Approach to Antioxidant Activity Prediction

    PubMed Central

    Torkova, Anna; Koroleva, Olga; Khrameeva, Ekaterina; Fedorova, Tatyana; Tsentalovich, Mikhail

    2015-01-01

    Quantum chemical methods allow screening and prediction of peptide antioxidant activity on the basis of known experimental data. It can be used to design the selective proteolysis of protein sources in order to obtain products with antioxidant activity. Molecular geometry and electronic descriptors of redox-active amino acids, as well as tyrosine and methionine-containing dipeptides, were studied by Density Functional Theory method. The calculated data was used to reveal several descriptors responsible for the antioxidant capacities of the model compounds based on their experimentally obtained antioxidant capacities against ABTS (2,2′-Azino-bis-(3-ethyl-benzothiazoline-6-sulfonate)) and peroxyl radical. A formula to predict antioxidant activity of peptides was proposed. PMID:26512651

  15. Structure-Function Study of Tertiary Amines as Switchable Polarity Solvents

    SciTech Connect

    Aaron D. Wilson; Frederick F. Stewart

    2014-02-01

    A series of tertiary amines have been screened for their function as switchable polarity solvents (SPS). The relative ratios of tertiary amine and carbonate species as well as maximum possible concentration were determined through quantitative 1H and 13C NMR spectroscopy. The viscosities of the polar SPS solutions were measured and ranged from near water in dilute systems through to gel formation at high concentrations. The van't Hoff indices for SPS solutions were measured through freezing point depression studies as a proxy for osmotic pressures. A new form of SPS with an amine : carbonate ratio significantly greater than unity has been identified. Tertiary amines that function as SPS at ambient pressures appear to be limited to molecules with fewer than 12 carbons. The N,N-dimethyl-n-alkylamine structure has been identified as important to the function of an SPS.

  16. The application of psoralens to the study of DNA structure, function and dynamics

    SciTech Connect

    Spielmann, P.H. |

    1991-04-01

    A series of six nitroxide spin-labeled psoralens were designed, synthesized and tested as probes for DNA dynamics. The synthesis of these spin-labeled psoralen derivatives and their photoreactivity with double-stranded DNA fragments is described. The spin labels (nitroxides) were demonstrated to survive the uv irradiation required to bind the probe to the target DNA. EPR spectra of the photobound spin-labels indicate that they do not wobble with respect to the DNA on the time-scales investigated. The author has used psoralen modified DNA as a model for the study of DNA repair enzyme systems in human cell free extracts. He has shown that damage-induced DNA synthesis is associated with removal of psoralen adducts and therefore is {open_quotes}repair synthesis{close_quotes} and not an aberrant DNA synthesis reaction potentiated by deformation of the DNA by adducts. He has found that all DNA synthesis induced by psoralen monoadducts is the consequence of removal of these adducts. By the same approach he has obtained evidence that this in vitro system is capable of removing psoralen cross-links as well. Reported here are synthetic methods that make use of high intensity lasers coupled with HPLC purification to make homogeneous and very pure micromole quantities of furan-side monoadducted, cross-linked, and pyrone-side monoadducted DNA oligonucleotide. These molecules are currently being studied by NMR and X-ray crystallography. The application of the site-specifically psoralen modified oligonucleotide synthesized by these methods to the construction of substrates for the investigation of DNA repair is also discussed.

  17. Structure-function studies of the Neisseria gonorrhoeae major outer membrane porin.

    PubMed

    Chen, Adrienne; Seifert, H Steven

    2013-12-01

    The major outer membrane porin (PorB) expressed by Neisseria gonorrhoeae plays multiple roles during infection, in addition to its function as an outer membrane pore. We have generated a panel of mutants of N. gonorrhoeae strain FA1090 expressing a variety of mutant porB genes that all function as porins. We identified multiple regions of porin that are involved in its binding to the complement regulatory factors C4b-binding protein and factor H and confirmed that the ability to bind at least one factor is required for FA1090 to survive the bactericidal effects of human serum. We tested the ability of these mutants to inhibit both apoptosis and the oxidative burst in polymorphonuclear leukocytes but were unable to identify the porin domains required for either function. This study has identified nonessential porin domains and some potentially essential portions of the protein and has further expanded our understanding of the contribution of the porin domains required for complement regulation.

  18. Thermal, structural, functional, optical and magnetic studies of pure and Ba doped CdO nanoparticles.

    PubMed

    Sivakumar, S; Venkatesan, A; Soundhirarajan, P; Khatiwada, Chandra Prasad

    2015-12-01

    In this research, a chemical precipitation method was used to synthesize undoped and doped cadmium oxide nanoparticles and studied by TG-DTA, XRD, FT-IR, SEM, with EDX and antibacterial activities, respectively. The melting points, thermal stability and the kinetic parameters like entropy (ΔS), enthalpy (ΔH), Gibb's energy (ΔG), activation energy (E), frequency factor (A) were evaluated from TG-DTA measurements. X-ray diffraction analysis (XRD) brought out the information about the synthesized products exist in spherical in shape with cubic structure. The functional groups and band area of the samples were established by Fourier transform infrared (FT-IR) spectroscopy. The direct and indirect band gap energy of pure and doped samples were determined by UV-Vis-DRS. The surface morphological, elemental compositions and particles sizes were evaluated by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Finally, antibacterial activities indicated the Gram-positive and Gram-negative bacteria are more active in transporter, dehydrogenize and periplasmic enzymatic activities of pure and doped samples.

  19. Facilitating Structure-Function Studies of CFTR Modulator Sites with Efficiencies in Mutagenesis and Functional Screening.

    PubMed

    Molinski, Steven V; Ahmadi, Saumel; Hung, Maurita; Bear, Christine E

    2015-12-01

    There are nearly 2000 mutations in the CFTR gene associated with cystic fibrosis disease, and to date, the only approved drug, Kalydeco, has been effective in rescuing the functional expression of a small subset of these mutant proteins with defects in channel activation. However, there is currently an urgent need to assess other mutations for possible rescue by Kalydeco, and further, definition of the binding site of such modulators on CFTR would enhance our understanding of the mechanism of action of such therapeutics. Here, we describe a simple and rapid one-step PCR-based site-directed mutagenesis method to generate mutations in the CFTR gene. This method was used to generate CFTR mutants bearing deletions (p.Gln2_Trp846del, p.Ser700_Asp835del, p.Ile1234_Arg1239del) and truncation with polyhistidine tag insertion (p.Glu1172-3Gly-6-His*), which either recapitulate a disease phenotype or render tools for modulator binding site identification, with subsequent evaluation of drug responses using a high-throughput (384-well) membrane potential-sensitive fluorescence assay of CFTR channel activity within a 1 wk time frame. This proof-of-concept study shows that these methods enable rapid and quantitative comparison of multiple CFTR mutants to emerging drugs, facilitating future large-scale efforts to stratify mutants according to their "theratype" or most promising targeted therapy.

  20. Structure-function studies of the magnetite-biomineralizing magnetosome-associated protein MamC.

    PubMed

    Nudelman, Hila; Valverde-Tercedor, Carmen; Kolusheva, Sofiya; Perez Gonzalez, Teresa; Widdrat, Marc; Grimberg, Noam; Levi, Hilla; Nelkenbaum, Or; Davidov, Geula; Faivre, Damien; Jimenez-Lopez, Concepcion; Zarivach, Raz

    2016-06-01

    Magnetotactic bacteria are Gram-negative bacteria that navigate along geomagnetic fields using the magnetosome, an organelle that consists of a membrane-enveloped magnetic nanoparticle. Magnetite formation and its properties are controlled by a specific set of proteins. MamC is a small magnetosome-membrane protein that is known to be active in iron biomineralization but its mechanism has yet to be clarified. Here, we studied the relationship between the MamC magnetite-interaction loop (MIL) structure and its magnetite interaction using an inert biomineralization protein-MamC chimera. Our determined structure shows an alpha-helical fold for MamC-MIL with highly charged surfaces. Additionally, the MamC-MIL induces the formation of larger magnetite crystals compared to protein-free and inert biomineralization protein control experiments. We suggest that the connection between the MamC-MIL structure and the protein's charged surfaces is crucial for magnetite binding and thus for the size control of the magnetite nanoparticles. PMID:26970040

  1. Structure-function studies of the magnetite-biomineralizing magnetosome-associated protein MamC.

    PubMed

    Nudelman, Hila; Valverde-Tercedor, Carmen; Kolusheva, Sofiya; Perez Gonzalez, Teresa; Widdrat, Marc; Grimberg, Noam; Levi, Hilla; Nelkenbaum, Or; Davidov, Geula; Faivre, Damien; Jimenez-Lopez, Concepcion; Zarivach, Raz

    2016-06-01

    Magnetotactic bacteria are Gram-negative bacteria that navigate along geomagnetic fields using the magnetosome, an organelle that consists of a membrane-enveloped magnetic nanoparticle. Magnetite formation and its properties are controlled by a specific set of proteins. MamC is a small magnetosome-membrane protein that is known to be active in iron biomineralization but its mechanism has yet to be clarified. Here, we studied the relationship between the MamC magnetite-interaction loop (MIL) structure and its magnetite interaction using an inert biomineralization protein-MamC chimera. Our determined structure shows an alpha-helical fold for MamC-MIL with highly charged surfaces. Additionally, the MamC-MIL induces the formation of larger magnetite crystals compared to protein-free and inert biomineralization protein control experiments. We suggest that the connection between the MamC-MIL structure and the protein's charged surfaces is crucial for magnetite binding and thus for the size control of the magnetite nanoparticles.

  2. Flavin adenine dinucleotide content of quinone reductase 2: analysis and optimization for structure-function studies.

    PubMed

    Leung, Kevin Ka Ki; Litchfield, David W; Shilton, Brian H

    2012-01-01

    Quinone reductase 2 (NQO2) is a broadly expressed enzyme implicated in responses to a number of compounds, including protein kinase inhibitors, resveratrol, and antimalarial drugs. NQO2 includes a flavin adenine dinucleotide (FAD) cofactor, but X-ray crystallographic analysis of human NQO2 expressed in Escherichia coli showed that electron density for the isoalloxazine ring of FAD was weak and there was no electron density for the adenine mononucleotide moiety. Reversed-phase high-performance liquid chromatography (HPLC) of the NQO2 preparation indicated that FAD was not present and only 38% of the protomers contained flavin mononucleotide (FMN), explaining the weak electron density for FAD in the crystallographic analysis. A method for purifying NQO2 and reconstituting with FAD such that the final content approaches 100% occupancy with FAD is presented here. The enzyme prepared in this manner has a high specific activity, and there is strong electron density for the FAD cofactor in the crystal structure. Analysis of NQO2 crystal structures present in the Protein Data Bank indicates that many may have sub-stoichiometric cofactor content and/or contain FMN rather than FAD. This method of purification and reconstitution will help to optimize structural and functional studies of NQO2 and possibly other flavoproteins.

  3. Genomics and structure/function studies of Rhabdoviridae proteins involved in replication and transcription.

    PubMed

    Assenberg, R; Delmas, O; Morin, B; Graham, S C; De Lamballerie, X; Laubert, C; Coutard, B; Grimes, J M; Neyts, J; Owens, R J; Brandt, B W; Gorbalenya, A; Tucker, P; Stuart, D I; Canard, B; Bourhy, H

    2010-08-01

    Some mammalian rhabdoviruses may infect humans, and also infect invertebrates, dogs, and bats, which may act as vectors transmitting viruses among different host species. The VIZIER programme, an EU-funded FP6 program, has characterized viruses that belong to the Vesiculovirus, Ephemerovirus and Lyssavirus genera of the Rhabdoviridae family to perform ground-breaking research on the identification of potential new drug targets against these RNA viruses through comprehensive structural characterization of the replicative machinery. The contribution of VIZIER programme was of several orders. First, it contributed substantially to research aimed at understanding the origin, evolution and diversity of rhabdoviruses. This diversity was then used to obtain further structural information on the proteins involved in replication. Two strategies were used to produce recombinant proteins by expression of both full length or domain constructs in either E. coli or insect cells, using the baculovirus system. In both cases, parallel cloning and expression screening at small-scale of multiple constructs based on different viruses including the addition of fusion tags, was key to the rapid generation of expression data. As a result, some progress has been made in the VIZIER programme towards dissecting the multi-functional L protein into components suitable for structural and functional studies. However, the phosphoprotein polymerase co-factor and the structural matrix protein, which play a number of roles during viral replication and drives viral assembly, have both proved much more amenable to structural biology. Applying the multi-construct/multi-virus approach central to protein production processes in VIZIER has yielded new structural information which may ultimately be exploitable in the derivation of novel ways of intervening in viral replication.

  4. In situ microcosms in aquifer bioremediation studies.

    PubMed

    Mandelbaum, R T; Shati, M R; Ronen, D

    1997-07-01

    The extent to which aquifer microbiota can be studied under laboratory or simulated conditions is limited by our inability to authentically duplicate natural conditions in the laboratory. Therefore, extrapolation of laboratory results to real aquifer situations is often criticized, unless validation of the data is performed in situ. Reliable data acquisition is critical for the estimation of chemical and biological reaction rates of biodegradation processes in groundwater and as input data for mathematical models. Typically, in situ geobiochemical studies relied on the injection of groundwater spiked with compounds or bacteria of interest into the aquifer, followed by monitoring the changes over time and space. In situ microcosms provide a more confined study site for measurements of microbial reactions, yet closer to natural conditions than laboratory microcosms. Two basic types of in situ aquifer microcosm have been described in recent years, and both originated from in situ instruments initially designed for geochemical measurements. Gillham et al. [Ground Water 28 (1990) 858-862] constructed an instrument that isolates a portion of an aquifer for in situ biochemical rate measurements. More recently Shati et al. [Environ. Sci. Technol. 30 (1996) 2646-2653] modified a multilayer sampler for studying the activity of inoculated bacteria in a contaminated aquifer Keeping in mind recent advances in environmental microbiology methodologies such as immunofluorescence direct counts, oligonucleotide and PCR probes, fatty acid methyl esther analysis for the detection and characterization of bacterial communities, measurement of mRNA and expression of proteins, it is evident that much new information can now be gained from in situ work. Using in situ microcosms to study bioremediation efficiencies, the fate of introduced microorganisms and general geobiochemical aquifer processes can shed more realistic light on the microbial underworld. The aim of this paper is to

  5. In Situ Vitrification Treatability Study Work Plan

    SciTech Connect

    Charboneau, B.L.; Landon, J.L.

    1989-03-01

    The Buried Waste Program was established in October, 1987 to accelerate the studies needed to develop a recommended long-term management plan for the buried mixed waste at the Radioactive Waste Management Complex at the Idaho National Engineering Laboratory. The In Situ Vitrification Project is being conducted in a Comprehensive Environmental Response, Compensation, and Liability Act Feasibility Study format to identify methods for the long-term management of the mixed waste buried. This In Situ Vitrification Treatability Study Work Plan gives a brief description of the site, work breakdown structure, and project organization: the in situ vitrification technology; the purpose of the tests and demonstrations; and the equipment and materials required for the tests and demonstration. 5 refs., 6 figs., 3 tabs.

  6. Deuterium Labeling Strategies for Creating Contrast in Structure-Function Studies of Model Bacterial Outer Membranes Using Neutron Reflectometry.

    PubMed

    Le Brun, Anton P; Clifton, Luke A; Holt, Stephen A; Holden, Peter J; Lakey, Jeremy H

    2016-01-01

    Studying the outer membrane of Gram-negative bacteria is challenging due to the complex nature of its structure. Therefore, simplified models are required to undertake structure-function studies of processes that occur at the outer membrane/fluid interface. Model membranes can be created by immobilizing bilayers to solid supports such as gold or silicon surfaces, or as monolayers on a liquid support where the surface pressure and fluidity of the lipids can be controlled. Both model systems are amenable to having their structure probed by neutron reflectometry, a technique that provides a one-dimensional depth profile through a membrane detailing its thickness and composition. One of the strengths of neutron scattering is the ability to use contrast matching, allowing molecules containing hydrogen and those enriched with deuterium to be highlighted or matched out against the bulk isotopic composition of the solvent. Lipopolysaccharides, a major component of the outer membrane, can be isolated for incorporation into model membranes. Here, we describe the deuteration of lipopolysaccharides from rough strains of Escherichia coli for incorporation into model outer membranes, and how the use of deuterated materials enhances structural analysis of model membranes by neutron reflectometry.

  7. Deuterium Labeling Strategies for Creating Contrast in Structure-Function Studies of Model Bacterial Outer Membranes Using Neutron Reflectometry.

    PubMed

    Le Brun, Anton P; Clifton, Luke A; Holt, Stephen A; Holden, Peter J; Lakey, Jeremy H

    2016-01-01

    Studying the outer membrane of Gram-negative bacteria is challenging due to the complex nature of its structure. Therefore, simplified models are required to undertake structure-function studies of processes that occur at the outer membrane/fluid interface. Model membranes can be created by immobilizing bilayers to solid supports such as gold or silicon surfaces, or as monolayers on a liquid support where the surface pressure and fluidity of the lipids can be controlled. Both model systems are amenable to having their structure probed by neutron reflectometry, a technique that provides a one-dimensional depth profile through a membrane detailing its thickness and composition. One of the strengths of neutron scattering is the ability to use contrast matching, allowing molecules containing hydrogen and those enriched with deuterium to be highlighted or matched out against the bulk isotopic composition of the solvent. Lipopolysaccharides, a major component of the outer membrane, can be isolated for incorporation into model membranes. Here, we describe the deuteration of lipopolysaccharides from rough strains of Escherichia coli for incorporation into model outer membranes, and how the use of deuterated materials enhances structural analysis of model membranes by neutron reflectometry. PMID:26791981

  8. Structure Function Estimated From Histological Tissue Sections.

    PubMed

    Han, Aiguo; O'Brien, William D

    2016-09-01

    Ultrasonic scattering is determined by not only the properties of individual scatterers but also the correlation among scatterer positions. The role of scatterer spatial correlation is significant for dense medium, but has not been fully understood. The effect of scatterer spatial correlation may be modeled by the structure function as a frequency-dependent factor in the backscatter coefficient (BSC) expression. The structure function has been previously estimated from the BSC data. The aim of this study is to estimate the structure function from histology to test if the acoustically estimated structure function is indeed caused by the scatterer spatial distribution. Hematoxylin and eosin stained histological sections from dense cell pellet biophantoms were digitized. The scatterer positions were determined manually from the histological images. The structure function was calculated from the extracted scatterer positions. The structure function obtained from histology showed reasonable agreement in the shape but not in the amplitude, compared with the structure function previously estimated from the backscattered data. Fitting a polydisperse structure function model to the histologically estimated structure function yielded relatively accurate cell radius estimates ([Formula: see text]). Furthermore, two types of mouse tumors that have similar cell size and shape but distinct cell spatial distributions were studied, where the backscattered data were shown to be related to the cell spatial distribution through the structure function estimated from histology. In conclusion, the agreement between acoustically estimated and histologically estimated structure functions suggests that the acoustically estimated structure function is related to the scatterer spatial distribution.

  9. Structure function monitor

    DOEpatents

    McGraw, John T.; Zimmer, Peter C.; Ackermann, Mark R.

    2012-01-24

    Methods and apparatus for a structure function monitor provide for generation of parameters characterizing a refractive medium. In an embodiment, a structure function monitor acquires images of a pupil plane and an image plane and, from these images, retrieves the phase over an aperture, unwraps the retrieved phase, and analyzes the unwrapped retrieved phase. In an embodiment, analysis yields atmospheric parameters measured at spatial scales from zero to the diameter of a telescope used to collect light from a source.

  10. A fluorescent carbapenem for structure function studies of penicillin-binding proteins, β-lactamases, and β-lactam sensors.

    PubMed

    June, Cynthia M; Vaughan, Robert M; Ulberg, Lucas S; Bonomo, Robert A; Witucki, Laurie A; Leonard, David A

    2014-10-15

    By reacting fluorescein isothiocyanate with meropenem, we have prepared a carbapenem-based fluorescent β-lactam. Fluorescein-meropenem binds both penicillin-binding proteins and β-lactam sensors and undergoes a typical acylation reaction in the active site of these proteins. The probe binds the class D carbapenemase OXA-24/40 with close to the same affinity as meropenem and undergoes a complete catalytic hydrolysis reaction. The visible light excitation and strong emission of fluorescein render this molecule a useful structure-function probe through its application in sodium dodecyl sulfate-polyacrylamide gel electrophoresis assays as well as solution-based kinetic anisotropy assays. Its classification as a carbapenem β-lactam and the position of its fluorescent modification render it a useful complement to other fluorescent β-lactams, most notably Bocillin FL. In this study, we show the utility of fluorescein-meropenem by using it to detect mutants of OXA-24/40 that arrest at the acyl-intermediate state with carbapenem substrates but maintain catalytic competency with penicillin substrates.

  11. Microfluidic neurite guidance to study structure-function relationships in topologically-complex population-based neural networks

    NASA Astrophysics Data System (ADS)

    Honegger, Thibault; Thielen, Moritz I.; Feizi, Soheil; Sanjana, Neville E.; Voldman, Joel

    2016-06-01

    The central nervous system is a dense, layered, 3D interconnected network of populations of neurons, and thus recapitulating that complexity for in vitro CNS models requires methods that can create defined topologically-complex neuronal networks. Several three-dimensional patterning approaches have been developed but none have demonstrated the ability to control the connections between populations of neurons. Here we report a method using AC electrokinetic forces that can guide, accelerate, slow down and push up neurites in un-modified collagen scaffolds. We present a means to create in vitro neural networks of arbitrary complexity by using such forces to create 3D intersections of primary neuronal populations that are plated in a 2D plane. We report for the first time in vitro basic brain motifs that have been previously observed in vivo and show that their functional network is highly decorrelated to their structure. This platform can provide building blocks to reproduce in vitro the complexity of neural circuits and provide a minimalistic environment to study the structure-function relationship of the brain circuitry.

  12. Microfluidic neurite guidance to study structure-function relationships in topologically-complex population-based neural networks

    PubMed Central

    Honegger, Thibault; Thielen, Moritz I.; Feizi, Soheil; Sanjana, Neville E.; Voldman, Joel

    2016-01-01

    The central nervous system is a dense, layered, 3D interconnected network of populations of neurons, and thus recapitulating that complexity for in vitro CNS models requires methods that can create defined topologically-complex neuronal networks. Several three-dimensional patterning approaches have been developed but none have demonstrated the ability to control the connections between populations of neurons. Here we report a method using AC electrokinetic forces that can guide, accelerate, slow down and push up neurites in un-modified collagen scaffolds. We present a means to create in vitro neural networks of arbitrary complexity by using such forces to create 3D intersections of primary neuronal populations that are plated in a 2D plane. We report for the first time in vitro basic brain motifs that have been previously observed in vivo and show that their functional network is highly decorrelated to their structure. This platform can provide building blocks to reproduce in vitro the complexity of neural circuits and provide a minimalistic environment to study the structure-function relationship of the brain circuitry. PMID:27328705

  13. Microfluidic neurite guidance to study structure-function relationships in topologically-complex population-based neural networks.

    PubMed

    Honegger, Thibault; Thielen, Moritz I; Feizi, Soheil; Sanjana, Neville E; Voldman, Joel

    2016-01-01

    The central nervous system is a dense, layered, 3D interconnected network of populations of neurons, and thus recapitulating that complexity for in vitro CNS models requires methods that can create defined topologically-complex neuronal networks. Several three-dimensional patterning approaches have been developed but none have demonstrated the ability to control the connections between populations of neurons. Here we report a method using AC electrokinetic forces that can guide, accelerate, slow down and push up neurites in un-modified collagen scaffolds. We present a means to create in vitro neural networks of arbitrary complexity by using such forces to create 3D intersections of primary neuronal populations that are plated in a 2D plane. We report for the first time in vitro basic brain motifs that have been previously observed in vivo and show that their functional network is highly decorrelated to their structure. This platform can provide building blocks to reproduce in vitro the complexity of neural circuits and provide a minimalistic environment to study the structure-function relationship of the brain circuitry. PMID:27328705

  14. In-111 tropolone complex for study of lymphocyte kinetics: Evidence for an induced defect in structure, function and viability

    SciTech Connect

    Balaban, E.; Simon, T.R.; Kulkarni, P.; White, J.; Newton, M.; Frenkel, E.

    1984-01-01

    The lipid soluble In-111 and tropolone complex (In-T) has been proposed as a desirable cell labeling moiety for in vivo studies. Its advantages over In-111 complexed to oxy/sup -/ or acetylacetonate are water solubility and efficient cell labeling in plasma. The authors examined the effect of In-T on lymphocyte integrity and function in preparation for studies of lymphocyte kinetics in traffic. At equal concentrations, both normal and lymphocytes from patients with chronic lymphocytic leukemia had cellular In-T uptake consistently 20% greater than that achieved with In-111 oxine. This desirable uptake led to studies of function and viability. Lymphocyte mitogenmediated blastogenic capability (an intrinsic lymphocyte function) was measured in vitro in ficoll-hypaque isolated normal lymphocytes with varying concentrations and intervals of exposure of In-T. Marked impairment of lymphocyte blastogenic responsiveness was seen with 3 different mitogens (concanavalin A, phytohemmagglutinin P, and pokeweed mitogen). Severe functional impairment was seen when cells were exposed to a In-T concentration of 10 ..mu..l/ml for 20 minutes; and a lesser effect was noted even at 10-minute incubation exposure. Cell viability, evaluated by trypan blue exclusion, was normal immediately following cell labeling, but rapidly and progressively failed to exclude (i.e. effective viability). Scanning electron microscopy demonstrated loss of the normal surface villous architecture within 36 hours of in vitro incubation following a 20-minute exposure. Thus, although In-T has attractive features, its effect on lymphocyte structure, function and viability eliminate it for in vivo studies in traffic kinetics.

  15. Monoclonal antibodies for structure-function studies of (R)-3-hydroxybutyrate dehydrogenase, a lipid-dependent membrane-bound enzyme.

    PubMed Central

    Adami, P; Duncan, T M; McIntyre, J O; Carter, C E; Fu, C; Melin, M; Latruffe, N; Fleischer, S

    1993-01-01

    Monoclonal antibodies (mAbs) have been used to study structure-function relationships of (R)-3-hydroxybutyrate dehydrogenase (BDH) (EC 1.1.1.30), a lipid-requiring mitochondrial membrane enzyme with an absolute and specific requirement for phosphatidylcholine (PC) for enzymic activity. The purified enzyme (apoBDH, devoid of phospholipid and thereby inactive) can be re-activated with preformed phospholipid vesicles containing PC or by short-chain soluble PC. Five of six mAbs cross-react with BDH from bovine heart and rat liver, including two mAbs to conformational epitopes. One mAb was found to be specific for the C-terminal sequence of BDH and served to: (1) map endopeptidase cleavage and epitope sites on BDH; and (2) demonstrate that the C-terminus is essential for the activity of BDH. Carboxypeptidase cleavage of only a few (< or = 14) C-terminal amino acids from apoBDH (as detected by the loss of C-terminal epitope for mAb 3-10A) prevents activation by either bilayer or soluble PC. Further, for BDH in bilayers containing PC, the C-terminus is protected from carboxy-peptidase cleavage, whereas in bilayers devoid of PC the C-terminus is cleaved, and subsequent activation by PC is precluded. We conclude that: (1) the C-terminus of BDH is essential for enzymic activity, consistent with the prediction, from primary sequence analysis, that the PC-binding site is in the C-terminal domain of BDH; and (2) the allosteric activation of BDH by PC in bilayers protects the C-terminus from carboxypeptidase cleavage, indicative of a PC-induced conformational change in the enzyme. Images Figure 1 Figure 3 Figure 4 Figure 6 PMID:7686368

  16. Atomic force microscopy study of the structure function relationships of the biofilm-forming bacterium Streptococcus mutans

    NASA Astrophysics Data System (ADS)

    Cross, Sarah E.; Kreth, Jens; Zhu, Lin; Qi, Fengxia; Pelling, Andrew E.; Shi, Wenyuan; Gimzewski, James K.

    2006-02-01

    Atomic force microscopy (AFM) has garnered much interest in recent years for its ability to probe the structure, function and cellular nanomechanics inherent to specific biological cells. In particular, we have used AFM to probe the important structure-function relationships of the bacterium Streptococcus mutans. S. mutans is the primary aetiological agent in human dental caries (tooth decay), and is of medical importance due to the virulence properties of these cells in biofilm initiation and formation, leading to increased tolerance to antibiotics. We have used AFM to characterize the unique surface structures of distinct mutants of S. mutans. These mutations are located in specific genes that encode surface proteins, thus using AFM we have resolved characteristic surface features for mutant strains compared to the wild type. Ultimately, our characterization of surface morphology has shown distinct differences in the local properties displayed by various S. mutans strains on the nanoscale, which is imperative for understanding the collective properties of these cells in biofilm formation.

  17. Proton structure functions at HERA

    NASA Astrophysics Data System (ADS)

    Stella, Bruno

    2001-10-01

    The electron-proton collider HERA, like an electron-mycroscope, explores the structure of the proton down to 10-16 cm and up to the situation of very high parton densities. The proton energy was upgraded from 820 to 920 GeV in the Fall of '98 and the luminosity has also substantially improved, with another factor of 3 upgrade expected to follow this year. Inclusive proton structure functions have been studied with incident e+ and e- of 27 GeV in the neutral (NC) and charged (CC) current interactions as functions of the squared four-momentum transfer, Q2, and of the fractional proton momentum carried by partons, x. The structure function F2, as well as the γ-Z0 interference term xF3, have been measured in a range of Q2 and 1/x that extends by orders of magnitude that reached by fixed target experiments. The DGLAP evolution equations [1] allow for a perturbative NLO QCD fit of the measured non-perturbative structure functions in the available kinematic range: αS and the gluon density at low x are fitted at the same time with good precision. The longitudinal structure function, FL, can be determined within the DGLAP formalism. With CC, the electroweak unification has been tested; at high x, a first flavor decomposition of the light quarks is achieved. The contribution to F2 of the charm quark has been measured and results to be relevant. Bounds on the radius of quarks and on compositeness are derived from the data at the highest Q2, 100

  18. Proton structure functions at HERA

    NASA Astrophysics Data System (ADS)

    H1; ZEUS Collaborations,

    2001-10-01

    The electron-proton collider HERA, like an electron-mycroscope, explores the structure of the proton down to 10-16 cm and up to the situation of very high parton densities. The proton energy was upgraded from 820 to 920 GeV in the Fall of '98 and the luminosity has also substantially improved, with another factor of 3 upgrade expected to follow this year. Inclusive proton structure functions have been studied with incident e+ and e- of 27 GeV in the neutral (NC) and charged (CC) current interactions as functions of the squared four-momentum transfer, Q2, and of the fractional proton momentum carried by partons, x. The structure function F2, as well as the γ-Z0 interference term xF3, have been measured in a range of Q2 and 1/x that extends by orders of magnitude that reached by fixed target experiments. The DGLAP evolution equations [1] allow for a perturbative NLO QCD fit of the measured non-perturbative structure functions in the available kinematic range: αS and the gluon density at low x are fitted at the same time with good precision. The longitudinal structure function, FL, can be determined within the DGLAP formalism. With CC, the electroweak unification has been tested; at high x, a first flavor decomposition of the light quarks is achieved. The contribution to F2 of the charm quark has been measured and results to be relevant. Bounds on the radius of quarks and on compositeness are derived from the data at the highest Q2, 100

  19. Spin structure functions

    SciTech Connect

    Jian-ping Chen, Alexandre Deur, Sebastian Kuhn, Zein-eddine Meziani

    2011-06-01

    Spin-dependent observables have been a powerful tool to probe the internal structure of the nucleon and to understand the dynamics of the strong interaction. Experiments involving spin degrees of freedom have often brought out surprises and puzzles. The so-called "spin crisis" in the 1980s revealed the limitation of naive quark-parton models and led to intensive worldwide efforts, both experimental and theoretical, to understand the nucleon spin structure. With high intensity and high polarization of both the electron beam and targets, Jefferson Lab has the world's highest polarized luminosity and the best figure-of-merit for precision spin structure measurements. It has made a strong impact in this subfield of research. This chapter will highlight Jefferson Lab's unique contributions in the measurements of valence quark spin distributions, in the moments of spin structure functions at low to intermediate Q2, and in the transverse spin structure.

  20. Structure--function studies on the iron-sulfur flavoenzyme glutamate synthase: an unexpectedly complex self-regulated enzyme.

    PubMed

    Vanoni, Maria A; Curti, Bruno

    2005-01-01

    Glutamate synthase (GltS) is, with glutamine synthetase, the key enzyme of ammonia assimilation in bacteria, microorganisms and plants. GltS isoforms result from the assembly and co-evolution of conserved functional domains. They share a common mechanism of reductive glutamine-dependent glutamate synthesis from 2-oxoglutarate, which takes place within the alpha subunit ( approximately 150 kDa) of the NADPH-dependent bacterial enzyme and the corresponding polypeptides of other GltS forms, and involves: (i) an Ntn-type amidotransferase domain and (ii) a flavin mononucleotide-containing (beta/alpha)(8) barrel synthase domain connected by (iii) a approximately 30 A-long intramolecular ammonia tunnel. The synthase domain harbors the [3Fe/4S](0,+1) cluster of the enzyme, which participates in the electron transfer process from the physiological reductant: reduced ferredoxin in the plant-type enzyme or NAD(P)H in the bacterial and the non-photosynthetic eukaryotic form. The NAD(P)H-dependent GltS requires a tightly bound flavin adenine dinucleotide-dependent reductase (beta subunit, approximately 50 kDa), also determining the presence of two low-potential [4Fe-4S](+1,+2) clusters. Structural, functional and computational data available on GltS and related enzymes show how the enzyme may control and coordinate the reactions taking place at the glutaminase and synthase sites by sensing substrate binding and cofactor redox state. PMID:15581577

  1. Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function

    SciTech Connect

    Rota, R.; Casulleras, J.; Mazzanti, F.; Boronat, J.

    2015-03-21

    We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase δ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to δ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function S(q, ω) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, ω) can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function.

  2. Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function.

    PubMed

    Rota, R; Casulleras, J; Mazzanti, F; Boronat, J

    2015-03-21

    We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase δ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to δ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function S(q, ω) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, ω) can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function. PMID:25796238

  3. Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794

    PubMed Central

    Majorek, Karolina A.; Kuhn, Misty L.; Chruszcz, Maksymilian; Anderson, Wayne F.; Minor, Wladek

    2013-01-01

    The Gcn5-related N-acetyltransferase (GNAT) superfamily is a large group of evolutionarily related acetyltransferases, with multiple paralogs in organisms from all kingdoms of life. The functionally characterized GNATs have been shown to catalyze the transfer of an acetyl group from acetyl-coenzyme A (Ac-CoA) to the amine of a wide range of substrates, including small molecules and proteins. GNATs are prevalent and implicated in a myriad of aspects of eukaryotic and prokaryotic physiology, but functions of many GNATs remain unknown. In this work, we used a multi-pronged approach of x-ray crystallography and biochemical characterization to elucidate the sequence-structure-function relationship of the GNAT superfamily member PA4794 from Pseudomonas aeruginosa. We determined that PA4794 acetylates the Nϵ amine of a C-terminal lysine residue of a peptide, suggesting it is a protein acetyltransferase specific for a C-terminal lysine of a substrate protein or proteins. Furthermore, we identified a number of molecules, including cephalosporin antibiotics, which are inhibitors of PA4794 and bind in its substrate-binding site. Often, these molecules mimic the conformation of the acetylated peptide product. We have determined structures of PA4794 in the apo-form, in complexes with Ac-CoA, CoA, several antibiotics and other small molecules, and a ternary complex with the products of the reaction: CoA and acetylated peptide. Also, we analyzed PA4794 mutants to identify residues important for substrate binding and catalysis. PMID:24003232

  4. [THE ATOMIC-FORCE MICROSCOPY STUDY OF STRUCTURAL FUNCTIONAL CHARACTERISTICS OF NEUTROPHILS IN PATIENTS WITH CHRONIC OBSTRUCTIVE LUNG DISEASES IN PHASE OF EXACERBATION].

    PubMed

    Gainitdinova, V V; Sharafutdinova, L A; Kamaltdinov, I M; Avdeev, S N

    2015-05-01

    The technique of atomic-force microscopy was applied to analyze the structural functional characteristics (morphology, force of adhesion, rigidity of membrane) of neutrophils in patients with chronic obstructive disease of lungs in phase of exacerbation. The regimen of force spectroscopy was applied to implement quantitative evaluation of module of elasticity (Young module) of cell membrane and force of adhesion of neutrophils. The study established decreasing of size of neutrophils, increasing of granularity of cytoplasm, increasing of Young module and force of adhesion in patients with chronic obstructive disease of lungs in phase of exacerbation.

  5. A study of nuclear effect in F{sub 3} structure function in the deep inelastic v(v-bar) reactions in nuclei

    SciTech Connect

    Athar, M. Sajjad; Singh, S. K.; Simo, I. Ruiz; Vacas, M. J. Vicente

    2009-11-25

    We study nuclear effect in the F{sub 3}{sup A}(x) structure function in the deep inelastic neutrino reactions on iron by taking into account Fermi motion, binding, target mass correction, shadowing and anti-shadowing corrections. Calculations have been done in a local density approximation using relativistic nuclear spectral functions which include nucleon correlations for nuclear matter. Results for F{sub 3}{sup A}(x) have been compared with the results reported at NuTeV and also with some of the older experiments reported in the literature.

  6. Dipole rescattering and the nuclear structure function

    SciTech Connect

    Carvalho, F.; Goncalves, V. P.; Navarra, F. S.; Oliveira, E. G.

    2013-03-25

    In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

  7. LONG TERM IN SITU DISPOSAL ENGINEERING STUDY

    SciTech Connect

    ADAMS; CARLSON; BROCKMAN

    2003-07-23

    Patent application pulled per Ken Norris (FH General Counsel). The objective of this study is to devise methods, produce conceptual designs, examine and select alternatives, and estimate costs for the demonstration of long-term (300-year) in situ disposal of an existing waste disposal site. The demonstration site selected is the 216-A-24 Crib near the 200 East Area. The site contains a fission product inventory and has experienced plant, animal, and inadvertent than intrusion. Of the potential intrusive events and transport pathways at the site, potential human intrusion has been given primary consideration in barrier design. Intrusion by wind, plants, and animals has been given secondary consideration. Groundwater modeling for a number of barrier configurations has been carried out to help select a barrier that will minimize water infiltration and waste/water contact time. The estimated effective lifetime and cost of 20 barrier schemes, using a variety of materials, have been evaluated. The schemes studied include single component surface barriers, multicomponent barriers, and massively injected grout barriers. Five barriers with high estimated effective lifetimes and relatively low costs have been selected for detailed evaluation. They are basalt riprap barriers, massive soil barriers, salt basin barriers, multi-component fine/coarse barriers, and cemented basalt barriers. A variety of materials and configurations for marking the site have also been considered. A decision analysis was completed to select a barrier scheme for demonstration. The analysis indicated that the basalt riprap alternative would be the preferred choice for a full-scale demonstration. The recommended approach is to demonstrate the basalt riprap barrier at the 216-A-24 Crib as soon as possible. Methods and costs of assessing effectiveness of the demonstration are also described. Preliminary design modifications and costs for applying the five selected barrier schemes to other site types are

  8. Structure functions of unstable lithium isotopes

    NASA Astrophysics Data System (ADS)

    Saito, K.; Ueda, M.; Tsushima, K.; Thomas, A. W.

    2002-07-01

    We study the spin-average and spin-dependent structure functions of the lithium isotopes. It is found that the light-cone momentum distribution of the valence neutron in the halo of 11Li is very sharp and symmetric around y=1, because of the weak binding. This implies that such neutrons are in an environment very close to that of a free neutron. The EMC ratios for Li isotopes are then calculated. Furthermore, we investigate a new ratio, given by the difference between the Li structure functions of mass number A ( F2A) and A-1 ( F2A-1 ) divided by the difference between the structure functions of the deuteron and free proton. We study the possibility of extracting the neutron structure function from data for the nuclear structure functions of the Li isotopes. In particular, the ratios for A=9 and 11 present an attractive possibility for extracting the free neutron structure function. Next, as an example, we calculate the spin-dependent structure function of 9Li isotope, which has spin 3/2. The spin structure function is given in terms of the multipole spin structure functions; 3/21g 1, which is analogous to the usual spin structure function, g1, for a target with spin 1/2, and a new one, 3/23g 1, which first arises for a target with spin 3/2. The effect of the nuclear binding and Fermi motion on 3/21g 1 is about 10% in the region x<0.7, but it becomes quite important at large x. The spin structure function, 3/23g 1, is negative at small x but it becomes positive in the region 0.2< x<0.5. However, the magnitude is very small. At large x it is again negative and its absolute value becomes large because of the Fermi motion. Finally, we discuss the modification of the Gottfried and Bjorken integrals in a nuclear medium and point out several candidates for a pair of mirror nuclei to study the flavor-nonsinglet quark distributions in nuclei.

  9. Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.

    PubMed

    Chen, Shoudeng; Rufiange, Anne; Huang, Hongda; Rajashankar, Kanagalaghatta R; Nourani, Amine; Patel, Dinshaw J

    2015-06-15

    Cells use specific mechanisms such as histone chaperones to abrogate the inherent barrier that the nucleosome poses to transcribing polymerases. The current model postulates that nucleosomes can be transiently disrupted to accommodate passage of RNA polymerases and that histones H3 and H4 possess their own chaperones dedicated to the recovery of nucleosomes. Here, we determined the crystal structure of the conserved C terminus of human Suppressors of Ty insertions 2 (hSpt2C) chaperone bound to an H3/H4 tetramer. The structural studies demonstrate that hSpt2C is bound to the periphery of the H3/H4 tetramer, mimicking the trajectory of nucleosomal-bound DNA. These structural studies have been complemented with in vitro binding and in vivo functional studies on mutants that disrupt key intermolecular contacts involving two acidic patches and hydrophobic residues on Spt2C. We show that contacts between both human and yeast Spt2C with the H3/H4 tetramer are required for the suppression of H3/H4 exchange as measured by H3K56ac and new H3 deposition. These interactions are also crucial for the inhibition of spurious transcription from within coding regions. Together, our data indicate that Spt2 interacts with the periphery of the H3/H4 tetramer and promotes its recycling in the wake of RNA polymerase.

  10. Structure-function studies of blood and air capillaries in chicken lung using 3D electron microscopy.

    PubMed

    West, John B; Fu, Zhenxing; Deerinck, Thomas J; Mackey, Mason R; Obayashi, James T; Ellisman, Mark H

    2010-02-28

    Avian pulmonary capillaries differ from those of mammals in three important ways. The blood-gas barrier is much thinner, it is more uniform in thickness, and the capillaries are far more rigid when their transmural pressure is altered. The thinness of the barrier is surprising because it predisposes the capillaries to stress failure. A possible mechanism for these differences is that avian pulmonary capillaries, unlike mammalian, are supported from the outside by air capillaries, but the details of the support are poorly understood. To clarify this we studied the blood and air capillaries in chicken lung using transmission electron microscopy (EM) and two relatively new techniques that allow 3D visualization: electron tomography and serial block-face scanning EM. These studies show that the pulmonary capillaries are flanked by epithelial bridges composed of two extremely thin epithelial cells with large surface areas. The junctions of the bridges with the capillary walls show thickening of the epithelial cells and an accumulation of extracellular matrix. Collapse of the pulmonary capillaries when the pressure outside them is increased is apparently prevented by the guy wire-like action of the epithelial bridges. The enlarged junctions between the bridges and the walls could provide a mechanism that limits the hoop stress in the capillary walls when the pressure inside them is increased. The support of the pulmonary capillaries may also be explained by an interdependence mechanism whereby the capillaries are linked to a rigid assemblage of air capillaries. These EM studies show the supporting structures in greater detail than has previously been possible, particularly in 3D, and they allow a more complete analysis of the mechanical forces affecting avian pulmonary capillaries. PMID:20038456

  11. Structure-function Studies of Nucleocytoplasmic Transport of Retroviral Genomic RNA by mRNA Export Factor TAP

    SciTech Connect

    M Teplova; L Wohlbold; N Khin; E Izaurralde; D Patel

    2011-12-31

    mRNA export is mediated by the TAP-p15 heterodimer, which belongs to the family of NTF2-like export receptors. TAP-p15 heterodimers also bind to the constitutive transport element (CTE) present in simian type D retroviral RNAs, and they mediate the export of viral unspliced RNAs to the host cytoplasm. We have solved the crystal structure of the RNA recognition and leucine-rich repeat motifs of TAP bound to one symmetrical half of the CTE RNA. L-shaped conformations of protein and RNA are involved in a mutual molecular embrace on complex formation. We have monitored the impact of structure-guided mutations on binding affinities in vitro and transport assays in vivo. Our studies define the principles by which CTE RNA subverts the mRNA export receptor TAP, thereby facilitating the nuclear export of viral genomic RNAs, and, more generally, provide insights on cargo RNA recognition by mRNA export receptors.

  12. Structure, function and management of semi-natural habitats for conservation biological control: a review of European studies.

    PubMed

    Holland, John M; Bianchi, Felix Jja; Entling, Martin H; Moonen, Anna-Camilla; Smith, Barbara M; Jeanneret, Philippe

    2016-09-01

    Different semi-natural habitats occur on farmland, and it is the vegetation's traits and structure that subsequently determine their ability to support natural enemies and their associated contribution to conservation biocontrol. New habitats can be created and existing ones improved with agri-environment scheme funding in all EU member states. Understanding the contribution of each habitat type can aid the development of conservation control strategies. Here we review the extent to which the predominant habitat types in Europe support natural enemies, whether this results in enhanced natural enemy densities in the adjacent crop and whether this leads to reduced pest densities. Considerable variation exists in the available information for the different habitat types and trophic levels. Natural enemies within each habitat were the most studied, with less information on whether they were enhanced in adjacent fields, while their impact on pests was rarely investigated. Most information was available for woody and herbaceous linear habitats, yet not for woodland which can be the most common semi-natural habitat in many regions. While the management and design of habitats offer potential to stimulate conservation biocontrol, we also identified knowledge gaps. A better understanding of the relationship between resource availability and arthropod communities across habitat types, the spatiotemporal distribution of resources in the landscape and interactions with other factors that play a role in pest regulation could contribute to an informed management of semi-natural habitats for biocontrol. © 2016 Society of Chemical Industry. PMID:27178745

  13. Structure, function and management of semi-natural habitats for conservation biological control: a review of European studies.

    PubMed

    Holland, John M; Bianchi, Felix Jja; Entling, Martin H; Moonen, Anna-Camilla; Smith, Barbara M; Jeanneret, Philippe

    2016-09-01

    Different semi-natural habitats occur on farmland, and it is the vegetation's traits and structure that subsequently determine their ability to support natural enemies and their associated contribution to conservation biocontrol. New habitats can be created and existing ones improved with agri-environment scheme funding in all EU member states. Understanding the contribution of each habitat type can aid the development of conservation control strategies. Here we review the extent to which the predominant habitat types in Europe support natural enemies, whether this results in enhanced natural enemy densities in the adjacent crop and whether this leads to reduced pest densities. Considerable variation exists in the available information for the different habitat types and trophic levels. Natural enemies within each habitat were the most studied, with less information on whether they were enhanced in adjacent fields, while their impact on pests was rarely investigated. Most information was available for woody and herbaceous linear habitats, yet not for woodland which can be the most common semi-natural habitat in many regions. While the management and design of habitats offer potential to stimulate conservation biocontrol, we also identified knowledge gaps. A better understanding of the relationship between resource availability and arthropod communities across habitat types, the spatiotemporal distribution of resources in the landscape and interactions with other factors that play a role in pest regulation could contribute to an informed management of semi-natural habitats for biocontrol. © 2016 Society of Chemical Industry.

  14. Structure-function studies of STAR family Quaking proteins bound to their in vivo RNA target sites

    SciTech Connect

    Teplova, Marianna; Hafner, Markus; Teplov, Dmitri; Essig, Katharina; Tuschl, Thomas; Patel, Dinshaw J.

    2013-09-27

    Mammalian Quaking (QKI) and its Caenorhabditis elegans homolog, GLD-1 (defective in germ line development), are evolutionarily conserved RNA-binding proteins, which post-transcriptionally regulate target genes essential for developmental processes and myelination. We present X-ray structures of the STAR (signal transduction and activation of RNA) domain, composed of Qua1, K homology (KH), and Qua2 motifs of QKI and GLD-1 bound to high-affinity in vivo RNA targets containing YUAAY RNA recognition elements (RREs). The KH and Qua2 motifs of the STAR domain synergize to specifically interact with bases and sugar-phosphate backbones of the bound RRE. Qua1-mediated homodimerization generates a scaffold that enables concurrent recognition of two RREs, thereby plausibly targeting tandem RREs present in many QKI-targeted transcripts. Structure-guided mutations reduced QKI RNA-binding affinity in vitro and in vivo, and expression of QKI mutants in human embryonic kidney cells (HEK293) significantly decreased the abundance of QKI target mRNAs. Overall, our studies define principles underlying RNA target selection by STAR homodimers and provide insights into the post-transcriptional regulatory function of mammalian QKI proteins.

  15. Combining wet and dry research: experience with model development for cardiac mechano-electric structure-function studies

    PubMed Central

    Quinn, T. Alexander; Kohl, Peter

    2013-01-01

    Since the development of the first mathematical cardiac cell model 50 years ago, computational modelling has become an increasingly powerful tool for the analysis of data and for the integration of information related to complex cardiac behaviour. Current models build on decades of iteration between experiment and theory, representing a collective understanding of cardiac function. All models, whether computational, experimental, or conceptual, are simplified representations of reality and, like tools in a toolbox, suitable for specific applications. Their range of applicability can be explored (and expanded) by iterative combination of ‘wet’ and ‘dry’ investigation, where experimental or clinical data are used to first build and then validate computational models (allowing integration of previous findings, quantitative assessment of conceptual models, and projection across relevant spatial and temporal scales), while computational simulations are utilized for plausibility assessment, hypotheses-generation, and prediction (thereby defining further experimental research targets). When implemented effectively, this combined wet/dry research approach can support the development of a more complete and cohesive understanding of integrated biological function. This review illustrates the utility of such an approach, based on recent examples of multi-scale studies of cardiac structure and mechano-electric function. PMID:23334215

  16. Structure Function Studies of Vaccinia Virus Host Range Protein K1 Reveal a Novel Functional Surface for Ankyrin Repeat Proteins

    SciTech Connect

    Li, Yongchao; Meng, Xiangzhi; Xiang, Yan; Deng, Junpeng

    2010-06-15

    Poxvirus host tropism at the cellular level is regulated by virus-encoded host range proteins acting downstream of virus entry. The functioning mechanisms of most host range proteins are unclear, but many contain multiple ankyrin (ANK) repeats, a motif that is known for ligand interaction through a concave surface. We report here the crystal structure of one of the ANK repeat-containing host range proteins, the vaccinia virus K1 protein. The structure, at a resolution of 2.3 {angstrom}, showed that K1 consists entirely of ANK repeats, including seven complete ones and two incomplete ones, one each at the N and C terminus. Interestingly, Phe82 and Ser83, which were previously shown to be critical for K1's function, are solvent exposed and located on a convex surface, opposite the consensus ANK interaction surface. The importance of this convex surface was further supported by our additional mutagenesis studies. We found that K1's host range function was negatively affected by substitution of either Asn51 or Cys47 and completely abolished by substitution of both residues. Cys47 and Asn51 are also exposed on the convex surface, spatially adjacent to Phe82 and Ser83. Altogether, our data showed that K1 residues on a continuous convex ANK repeat surface are critical for the host range function, suggesting that K1 functions through ligand interaction and does so with a novel ANK interaction surface.

  17. Structure-function studies of the muscle nicotinic acetylcholine receptor by site-directed mutagenesis in the pore region

    NASA Astrophysics Data System (ADS)

    Zhang, Haiyun

    In nicotinic acetylcholine receptors (nAChRs), as in glycine, GABA A, serotonin 5-HT3, and GluCl glutamate receptors, a leucine residue at the approximate midpoint (the 9' position) of the M2 transmembrane domain is conserved across all known subunits. We expressed the embryonic mouse muscle nAChRs with varying numbers (m* s) of subunits (2 αs, 1 β, 1 γ, and 1 δ) mutated at this position in Xenopus oocytes and discovered that mutations to serine (Leu9'Ser) result in a tenfold higher receptor sensitivity to acetylcholine (ACh) for each subunit mutated. Moreover, increases of side-chain polarity increase the sensitivity to ACh when other natural and unnatural residues are incorporated into this position. The data also indicated an especially strong interaction between the γ and δ subunits in the pore region, suggesting a specific arrangement of subunits within the pentamer. Detailed single-channel kinetic studies reveal that Leu9'Ser AChRs have (1) longer voltage- relaxation time constants, (2) longer ACh-induced openings and bursts, and (3) more frequent spontaneous openings. These effects increase with m* s. Synthesized postsynaptic currents were produced with a piezoelectric micromanipulator that delivered brief ACh pulses to multi-channel patches. Their decay time constants were, as expected, similar to the channel burst duration. Thus, both longer and more frequent openings contribute to the >=104-fold increase in the receptor sensitivity to ACh from the wild-type receptor to the receptor with m*s=4; and the highly conserved 9' leucine is crucial for the brief synaptic events that are normally observed. We also explored the effects of ligand-binding domain mutations: γD174N and δD180N (aspartic acid (D) to asparagine (N)). Macroscopic dose-response relations revealed that these mutations decrease the receptor's sensitivity to ACh. The combined effect with Leu9'Ser, however, differs from that predicted from a linear or independent sum of effects from

  18. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures

    NASA Astrophysics Data System (ADS)

    Shen, Chenfei; Ge, Mingyuan; Luo, Langli; Fang, Xin; Liu, Yihang; Zhang, Anyi; Rong, Jiepeng; Wang, Chongmin; Zhou, Chongwu

    2016-08-01

    In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires.

  19. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures.

    PubMed

    Shen, Chenfei; Ge, Mingyuan; Luo, Langli; Fang, Xin; Liu, Yihang; Zhang, Anyi; Rong, Jiepeng; Wang, Chongmin; Zhou, Chongwu

    2016-08-30

    In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires.

  20. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures

    PubMed Central

    Shen, Chenfei; Ge, Mingyuan; Luo, Langli; Fang, Xin; Liu, Yihang; Zhang, Anyi; Rong, Jiepeng; Wang, Chongmin; Zhou, Chongwu

    2016-01-01

    In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires. PMID:27571919

  1. In Situ and Ex Situ TEM Study of Lithiation Behaviours of Porous Silicon Nanostructures.

    PubMed

    Shen, Chenfei; Ge, Mingyuan; Luo, Langli; Fang, Xin; Liu, Yihang; Zhang, Anyi; Rong, Jiepeng; Wang, Chongmin; Zhou, Chongwu

    2016-01-01

    In this work, we study the lithiation behaviours of both porous silicon (Si) nanoparticles and porous Si nanowires by in situ and ex situ transmission electron microscopy (TEM) and compare them with solid Si nanoparticles and nanowires. The in situ TEM observation reveals that the critical fracture diameter of porous Si particles reaches up to 1.52 μm, which is much larger than the previously reported 150 nm for crystalline Si nanoparticles and 870 nm for amorphous Si nanoparticles. After full lithiation, solid Si nanoparticles and nanowires transform to crystalline Li15Si4 phase while porous Si nanoparticles and nanowires transform to amorphous LixSi phase, which is due to the effect of domain size on the stability of Li15Si4 as revealed by the first-principle molecular dynamic simulation. Ex situ TEM characterization is conducted to further investigate the structural evolution of porous and solid Si nanoparticles during the cycling process, which confirms that the porous Si nanoparticles exhibit better capability to suppress pore evolution than solid Si nanoparticles. The investigation of structural evolution and phase transition of porous Si nanoparticles and nanowires during the lithiation process reveal that they are more desirable as lithium-ion battery anode materials than solid Si nanoparticles and nanowires. PMID:27571919

  2. Defining the Interactions of Cellobiohydrolase with Substrate through Structure Function Studies: Cooperative Research and Development Final Report, CRADA Number CRD-10-409

    SciTech Connect

    Beckham, G. T.; Himmel, M. E.

    2013-07-01

    NREL researchers will use their expertise and skilled resources in numerical computational modeling to generate structure-function relationships for improved cellulase variant enzymes to support the development of cellulases with improved performance in biomass conversion.

  3. Quark-hadron duality in structure functions

    SciTech Connect

    Wally Melnitchouk

    2011-09-01

    We review recent progress in the study of quark-hadron duality in electron–nucleon structure functions. New developments include insights into the local aspects of duality obtained using truncated moments of structure functions, which allow duality-violating higher-twist contributions to be identified in individual resonance regions. Preliminary studies of pion electropro-duction have also showed the first glimpses of duality in semi-inclusive cross sections, which if confirmed would greatly expand the scope of constraining the flavor and spin dependence of parton distributions.

  4. Study of structure-function relationships in proteins: Techniques and applications ot cytochrome c: Final report January 15, 1988--January 14, 1989

    SciTech Connect

    Goldstein, D.A.; Rackovsky, S.R.

    1989-08-01

    During the initial period of this work we explored the differential geometry results which had been used to explain the structure-function relationships in the set of yeast iso-1-cytochrome c mutants studied under the initial contract. In addition we continued the development of techniques which would permit the structural characterization and comparison of proteins in a very efficient manner. We have expanded the studies based on the characterization of the structural preferences of various residues in a sample of twenty six globular proteins. It has been demonstrated that the overall structural preferences and the amino acid specific preferences seen in the analysis carried out at the five alpha carbon level can not be explained by the results of the analysis carried out at the four alpha carbon level. Thus the structural preferences seen must be described by considering groups of five or more residues. We do no yet have enough data to extend the analysis to the six alpha carbon unit level. We have also verified that the yeast/tuna structural analogy which we used before was justified, and have performed a conformational energy minimization of the reduced yeast cytochrome c crystal data in order to have a baseline for the study of mutant proteins. 6 refs.

  5. Chemical Library Screening and Structure-Function Relationship Studies Identify Bisacodyl as a Potent and Selective Cytotoxic Agent Towards Quiescent Human Glioblastoma Tumor Stem-Like Cells.

    PubMed

    Zeniou, Maria; Fève, Marie; Mameri, Samir; Dong, Jihu; Salomé, Christophe; Chen, Wanyin; El-Habr, Elias A; Bousson, Fanny; Sy, Mohamadou; Obszynski, Julie; Boh, Alexandre; Villa, Pascal; Assad Kahn, Suzana; Didier, Bruno; Bagnard, Dominique; Junier, Marie-Pierre; Chneiweiss, Hervé; Haiech, Jacques; Hibert, Marcel; Kilhoffer, Marie-Claude

    2015-01-01

    Cancer stem-like cells reside in hypoxic and slightly acidic tumor niches. Such microenvironments favor more aggressive undifferentiated phenotypes and a slow growing "quiescent state" which preserves them from chemotherapeutic agents that essentially target proliferating cells. Our objective was to identify compounds active on glioblastoma stem-like cells, including under conditions that mimick those found in vivo within this most severe and incurable form of brain malignancy. We screened the Prestwick Library to identify cytotoxic compounds towards glioblastoma stem-like cells, either in a proliferating state or in more slow-growing "quiescent" phenotype resulting from non-renewal of the culture medium in vitro. Compound effects were assessed by ATP-level determination using a cell-based assay. Twenty active molecules belonging to different pharmacological classes have thus been identified. Among those, the stimulant laxative drug bisacodyl was the sole to inhibit in a potent and specific manner the survival of quiescent glioblastoma stem-like cells. Subsequent structure-function relationship studies led to identification of 4,4'-dihydroxydiphenyl-2-pyridyl-methane (DDPM), the deacetylated form of bisacodyl, as the pharmacophore. To our knowledge, bisacodyl is currently the only known compound targeting glioblastoma cancer stem-like cells in their quiescent, more resistant state. Due to its known non-toxicity in humans, bisacodyl appears as a new potential anti-tumor agent that may, in association with classical chemotherapeutic compounds, participate in tumor eradication.

  6. Chemical Library Screening and Structure-Function Relationship Studies Identify Bisacodyl as a Potent and Selective Cytotoxic Agent Towards Quiescent Human Glioblastoma Tumor Stem-Like Cells.

    PubMed

    Zeniou, Maria; Fève, Marie; Mameri, Samir; Dong, Jihu; Salomé, Christophe; Chen, Wanyin; El-Habr, Elias A; Bousson, Fanny; Sy, Mohamadou; Obszynski, Julie; Boh, Alexandre; Villa, Pascal; Assad Kahn, Suzana; Didier, Bruno; Bagnard, Dominique; Junier, Marie-Pierre; Chneiweiss, Hervé; Haiech, Jacques; Hibert, Marcel; Kilhoffer, Marie-Claude

    2015-01-01

    Cancer stem-like cells reside in hypoxic and slightly acidic tumor niches. Such microenvironments favor more aggressive undifferentiated phenotypes and a slow growing "quiescent state" which preserves them from chemotherapeutic agents that essentially target proliferating cells. Our objective was to identify compounds active on glioblastoma stem-like cells, including under conditions that mimick those found in vivo within this most severe and incurable form of brain malignancy. We screened the Prestwick Library to identify cytotoxic compounds towards glioblastoma stem-like cells, either in a proliferating state or in more slow-growing "quiescent" phenotype resulting from non-renewal of the culture medium in vitro. Compound effects were assessed by ATP-level determination using a cell-based assay. Twenty active molecules belonging to different pharmacological classes have thus been identified. Among those, the stimulant laxative drug bisacodyl was the sole to inhibit in a potent and specific manner the survival of quiescent glioblastoma stem-like cells. Subsequent structure-function relationship studies led to identification of 4,4'-dihydroxydiphenyl-2-pyridyl-methane (DDPM), the deacetylated form of bisacodyl, as the pharmacophore. To our knowledge, bisacodyl is currently the only known compound targeting glioblastoma cancer stem-like cells in their quiescent, more resistant state. Due to its known non-toxicity in humans, bisacodyl appears as a new potential anti-tumor agent that may, in association with classical chemotherapeutic compounds, participate in tumor eradication. PMID:26270679

  7. Chemical Library Screening and Structure-Function Relationship Studies Identify Bisacodyl as a Potent and Selective Cytotoxic Agent Towards Quiescent Human Glioblastoma Tumor Stem-Like Cells

    PubMed Central

    Mameri, Samir; Dong, Jihu; Salomé, Christophe; Chen, Wanyin; El-Habr, Elias A.; Bousson, Fanny; Sy, Mohamadou; Obszynski, Julie; Boh, Alexandre; Villa, Pascal; Assad Kahn, Suzana; Didier, Bruno; Bagnard, Dominique; Junier, Marie-Pierre; Chneiweiss, Hervé; Haiech, Jacques; Hibert, Marcel; Kilhoffer, Marie-Claude

    2015-01-01

    Cancer stem-like cells reside in hypoxic and slightly acidic tumor niches. Such microenvironments favor more aggressive undifferentiated phenotypes and a slow growing "quiescent state" which preserves them from chemotherapeutic agents that essentially target proliferating cells. Our objective was to identify compounds active on glioblastoma stem-like cells, including under conditions that mimick those found in vivo within this most severe and incurable form of brain malignancy. We screened the Prestwick Library to identify cytotoxic compounds towards glioblastoma stem-like cells, either in a proliferating state or in more slow-growing "quiescent" phenotype resulting from non-renewal of the culture medium in vitro. Compound effects were assessed by ATP-level determination using a cell-based assay. Twenty active molecules belonging to different pharmacological classes have thus been identified. Among those, the stimulant laxative drug bisacodyl was the sole to inhibit in a potent and specific manner the survival of quiescent glioblastoma stem-like cells. Subsequent structure-function relationship studies led to identification of 4,4'-dihydroxydiphenyl-2-pyridyl-methane (DDPM), the deacetylated form of bisacodyl, as the pharmacophore. To our knowledge, bisacodyl is currently the only known compound targeting glioblastoma cancer stem-like cells in their quiescent, more resistant state. Due to its known non-toxicity in humans, bisacodyl appears as a new potential anti-tumor agent that may, in association with classical chemotherapeutic compounds, participate in tumor eradication. PMID:26270679

  8. Structure functions and parton distributions

    SciTech Connect

    Olness, F.; Tung, Wu-Ki

    1991-04-01

    Activities of the structure functions and parton distributions group is summarized. The impact of scheme-dependence of parton distributions (especially sea-quarks and gluons) on the quantitative formulation of the QCD parton model is highlighted. Recent progress on the global analysis of parton distributions is summarized. Issues on the proper use of the next-to-leading parton distributions are stressed.

  9. Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials.

    PubMed

    Concu, Riccardo; Podda, Gianni; Uriarte, Eugenio; González-Díaz, Humberto

    2009-07-15

    In a significant work, Dobson and Doig (J Mol Biol 2003, 330, 771) illustrated protein prediction as enzymatic or not from spatial structure without resorting to alignments. They used 52 protein features and a nonlinear support vector machine model to classify more than 1000 proteins collected from the PDB with a 77% overall accuracy. The most useful features were: the secondary-structure content, the amino acid frequencies, the number of disulphide bonds, and the largest cleft size. Working on the same dataset used by D&D, in this article we reported a good and simple model, based on the Markov chain models (MCM), to classify protein 3D structures as enzymatic or not, taking into consideration the spatial structure without resorting to alignments. Here we define, for the first time, a general MCM to calculate the electrostatic potential, molecular vibrations, van der Waals (vdw) interactions, and hydrophobic interactions (HINT) and use them in comparative studies of potential fields and/or protein function prediction. The dataset is composed of 1371 proteins divided into 689 enzymes and 682 nonenzymes, all proteins were collected from the PDB. The best model we found was a linear model carried out with the linear discriminant analysis; it was able to classify 74.18% of the proteins using only two electrostatic potentials. In the work described here, we define 3D-HINT potentials (mu(k)) and use them for the first time to derive a classifier for protein enzymes. We analyzed ROC curves, domain of applicability, parametric assumptions, desirability maps, and also tested other nonlinear artificial neural network models which did not improve the linear model. In closing, this MCM allows a fast calculation and comparison of different potentials deriving into accurate protein 3D structure-function relationships, notably simpler than the previous.

  10. Structure functions and parton distributions

    SciTech Connect

    Martin, A.D.; Stirling, W.J.; Roberts, R.G.

    1995-07-01

    The MRS parton distribution analysis is described. The latest sets are shown to give an excellent description of a wide range of deep-inelastic and other hard scattering data. Two important theoretical issues-the behavior of the distributions at small x and the flavor structure of the quark sea-are discussed in detail. A comparison with the new structure function data from HERA is made, and the outlook for the future is discussed.

  11. Truncated Moment Analysis of Nucleon Structure Functions

    SciTech Connect

    A. Psaker; W. Melnitchouk; M. E. Christy; C. E. Keppel

    2007-11-16

    We employ a novel new approach using "truncated" moments, or integrals of structure functions over restricted regions of x, to study local quark-hadron duality, and the degree to which individual resonance regions are dominated by leading twists. Because truncated moments obey the same Q^2 evolution equations as the leading twist parton distributions, this approach makes possible for the first time a description of resonance region data and the phenomenon of quark-hadron duality directly from QCD.

  12. Underwater microscopy for in situ studies of benthic ecosystems.

    PubMed

    Mullen, Andrew D; Treibitz, Tali; Roberts, Paul L D; Kelly, Emily L A; Horwitz, Rael; Smith, Jennifer E; Jaffe, Jules S

    2016-01-01

    Microscopic-scale processes significantly influence benthic marine ecosystems such as coral reefs and kelp forests. Due to the ocean's complex and dynamic nature, it is most informative to study these processes in the natural environment yet it is inherently difficult. Here we present a system capable of non-invasively imaging seafloor environments and organisms in situ at nearly micrometre resolution. We overcome the challenges of underwater microscopy through the use of a long working distance microscopic objective, an electrically tunable lens and focused reflectance illumination. The diver-deployed instrument permits studies of both spatial and temporal processes such as the algal colonization and overgrowth of bleaching corals, as well as coral polyp behaviour and interspecific competition. By enabling in situ observations at previously unattainable scales, this instrument can provide important new insights into micro-scale processes in benthic ecosystems that shape observed patterns at much larger scales. PMID:27403715

  13. Underwater microscopy for in situ studies of benthic ecosystems

    PubMed Central

    Mullen, Andrew D.; Treibitz, Tali; Roberts, Paul L. D.; Kelly, Emily L. A.; Horwitz, Rael; Smith, Jennifer E.; Jaffe, Jules S.

    2016-01-01

    Microscopic-scale processes significantly influence benthic marine ecosystems such as coral reefs and kelp forests. Due to the ocean's complex and dynamic nature, it is most informative to study these processes in the natural environment yet it is inherently difficult. Here we present a system capable of non-invasively imaging seafloor environments and organisms in situ at nearly micrometre resolution. We overcome the challenges of underwater microscopy through the use of a long working distance microscopic objective, an electrically tunable lens and focused reflectance illumination. The diver-deployed instrument permits studies of both spatial and temporal processes such as the algal colonization and overgrowth of bleaching corals, as well as coral polyp behaviour and interspecific competition. By enabling in situ observations at previously unattainable scales, this instrument can provide important new insights into micro-scale processes in benthic ecosystems that shape observed patterns at much larger scales. PMID:27403715

  14. Underwater microscopy for in situ studies of benthic ecosystems

    NASA Astrophysics Data System (ADS)

    Mullen, Andrew D.; Treibitz, Tali; Roberts, Paul L. D.; Kelly, Emily L. A.; Horwitz, Rael; Smith, Jennifer E.; Jaffe, Jules S.

    2016-07-01

    Microscopic-scale processes significantly influence benthic marine ecosystems such as coral reefs and kelp forests. Due to the ocean's complex and dynamic nature, it is most informative to study these processes in the natural environment yet it is inherently difficult. Here we present a system capable of non-invasively imaging seafloor environments and organisms in situ at nearly micrometre resolution. We overcome the challenges of underwater microscopy through the use of a long working distance microscopic objective, an electrically tunable lens and focused reflectance illumination. The diver-deployed instrument permits studies of both spatial and temporal processes such as the algal colonization and overgrowth of bleaching corals, as well as coral polyp behaviour and interspecific competition. By enabling in situ observations at previously unattainable scales, this instrument can provide important new insights into micro-scale processes in benthic ecosystems that shape observed patterns at much larger scales.

  15. The Design, Synthesis, and Study of Solid-State Molecular Rotors: Structure/Function Relationships for Condensed-Phase Anisotropic Dynamics

    NASA Astrophysics Data System (ADS)

    Vogelsberg, Cortnie Sue

    Amphidynamic crystals are an extremely promising platform for the development of artificial molecular machines and stimuli-responsive materials. In analogy to skeletal muscle, their function will rely upon the collective operation of many densely packed molecular machines (i.e. actin-bound myosin) that are self-assembled in a highly organized anisotropic medium. By choosing lattice-forming elements and moving "parts" with specific functionalities, individual molecular machines may be synthesized and self-assembled in order to carry out desirable functions. In recent years, efforts in the design of amphidynamic materials based on molecular gyroscopes and compasses have shown that a certain amount of free volume is essential to facilitate internal rotation and reorientation within a crystal. In order to further establish structure/function relationships to advance the development of increasingly complex molecular machinery, molecular rotors and a molecular "spinning" top were synthesized and incorporated into a variety of solid-state architectures with different degrees of periodicity, dimensionality, and free volume. Specifically, lamellar molecular crystals, hierarchically ordered periodic mesoporous organosilicas, and metal-organic frameworks were targeted for the development of solid-state molecular machines. Using an array of solid-state nuclear magnetic resonance spectroscopy techniques, the dynamic properties of these novel molecular machine assemblies were determined and correlated with their corresponding structural features. It was found that architecture type has a profound influence on functional dynamics. The study of layered molecular crystals, composed of either molecular rotors or "spinning" tops, probed functional dynamics within dense, highly organized environments. From their study, it was discovered that: 1) crystallographically distinct sites may be utilized to differentiate machine function, 2) halogen bonding interactions are sufficiently

  16. Clustering aspects in nuclear structure functions

    SciTech Connect

    Hirai, M.; Saito, K.; Watanabe, T.; Kumano, S.

    2011-03-15

    For understanding an anomalous nuclear effect experimentally observed for the beryllium-9 nucleus at the Thomas Jefferson National Accelerator Facility, clustering aspects are studied in structure functions of deep inelastic lepton-nucleus scattering by using momentum distributions calculated in antisymmetrized (or fermionic) molecular dynamics (AMD) and also in a simple shell model for comparison. According to AMD, the {sup 9}Be nucleus consists of two {alpha}-like clusters with a surrounding neutron. The clustering produces high-momentum components in nuclear wave functions, which affects nuclear modifications of the structure functions. We investigated whether clustering features could appear in the structure function F{sub 2} of {sup 9}Be along with studies for other light nuclei. We found that nuclear modifications of F{sub 2} are similar in both AMD and shell models within our simple convolution description although there are slight differences in {sup 9}Be. It indicates that the anomalous {sup 9}Be result should be explained by a different mechanism from the nuclear binding and Fermi motion. If nuclear-modification slopes d(F{sub 2}{sup A}/F{sub 2}{sup D})/dx are shown by the maximum local densities, the {sup 9}Be anomaly can be explained by the AMD picture, namely by the clustering structure, whereas it certainly cannot be described in the simple shell model. This fact suggests that the large nuclear modification in {sup 9}Be should be explained by large densities in the clusters. For example, internal nucleon structure could be modified in the high-density clusters. The clustering aspect of nuclear structure functions is an unexplored topic which is interesting for future investigations.

  17. Calcite dissolution: an in situ study in the Panama Basin

    SciTech Connect

    Thunell, R.C.; Keir, R.S.; Honjo, S.

    1981-05-08

    The results of an in situ study of calcite dissolution in the Panama Basin indicate that the rate of dissolution in the water column increases suddenly below a water depth of about 2800 meters. This coincides with the depth at which the calcium carbonate content of surface sediments begins to decrease rapidly or the sedimentary lysocline. Since this level of increased dissolution both in the water column and on the sea floor does not appear to be related to the transition from supersaturation to undersaturation with respect to carbonate, there may be a kinetic origin for the lysocline in this region.

  18. In situ studies of grain growth in thin metal films

    SciTech Connect

    Nichols, C.S.; Mansuri, C.M. . Dept. of Materials Science and Engineering); Townsend, S.J. . Dept. of Physics); Smith, D.A. . T.J. Watson Research Center)

    1993-06-01

    Grain growth in thin films of aluminum has been studied using in situ transmission electron microscopy and a heating stage. Videotapes taken during grain growth were analyzed with the intent of searching for the predominant local rearrangement processes responsible for growth. Evolution of a soap froth can be decomposed into only two elementary local topology rearranging events. The authors have found numerous exceptions to prevailing theories that compare grain growth in thin films to the evolution of such froths. These observations suggest that a more complete picture of grain growth is necessary and that such a theory must include more complex local rearrangement processes.

  19. Sequence-structure-function relationships of a tRNA (m7G46) methyltransferase studied by homology modeling and site-directed mutagenesis.

    PubMed

    Purta, Elzbieta; van Vliet, Françoise; Tricot, Catherine; De Bie, Lara G; Feder, Marcin; Skowronek, Krzysztof; Droogmans, Louis; Bujnicki, Janusz M

    2005-05-15

    The Escherichia coli TrmB protein and its Saccharomyces cerevisiae ortholog Trm8p catalyze the S-adenosyl-L-methionine-dependent formation of 7-methylguanosine at position 46 (m7G46) in tRNA. To learn more about the sequence-structure-function relationships of these enzymes we carried out a thorough bioinformatics analysis of the tRNA:m7G methyltransferase (MTase) family to predict sequence regions and individual amino acid residues that may be important for the interactions between the MTase and the tRNA substrate, in particular the target guanosine 46. We used site-directed mutagenesis to construct a series of alanine substitutions and tested the activity of the mutants to elucidate the catalytic and tRNA-recognition mechanism of TrmB. The functional analysis of the mutants, together with the homology model of the TrmB structure and the results of the phylogenetic analysis, revealed the crucial residues for the formation of the substrate-binding site and the catalytic center in tRNA:m7G MTases.

  20. Spin Structure Function Measurements in Hall C at Jefferson Lab

    SciTech Connect

    Wood, Stephen A.

    2008-11-01

    This presentation introduces the spin structure functions and resonant spin structure, and it discusses the experimental approaches for studying spin structure via polarized electron beam interactions with frozen polarized proton and deuteron targets.

  1. Integral structural-functional method for characterizing microbial populations

    NASA Astrophysics Data System (ADS)

    Yakushev, A. V.

    2015-04-01

    An original integral structural-functional method has been proposed for characterizing microbial communities. The novelty of the approach is the in situ study of microorganisms based on the growth kinetics of microbial associations in liquid nutrient broth media under selective conditions rather than on the level of taxa or large functional groups. The method involves the analysis of the integral growth model of a periodic culture. The kinetic parameters of such associations reflect their capacity of growing on different media, i.e., their physiological diversity, and the metabolic capacity of the microorganisms for growth on a nutrient medium. Therefore, the obtained parameters are determined by the features of the microbial ecological strategies. The inoculation of a dense medium from the original inoculate allows characterizing the taxonomic composition of the dominants in the soil community. The inoculation from the associations developed on selective media characterizes the composition of syntrophic groups, which fulfill a specific function in nature. This method is of greater information value than the classical methods of inoculation on selective media.

  2. Chromogenic in situ hybridization: a multicenter study comparing silver in situ hybridization with FISH.

    PubMed

    Bartlett, J M S; Campbell, Fiona M; Ibrahim, Merdol; Wencyk, Peter; Ellis, Ian; Kay, Elaine; Connolly, Yvonne; O'Grady, Anthony; Di Palma, Silvana; Starczynski, Jane; Morgan, John M; Jasani, Bharat; Miller, Keith

    2009-10-01

    Our purposes were to perform a robust assessment of a new HER2 chromogenic in situ hybridization test and report on concordance of silver in situ hybridization (SISH) data with fluorescence in situ hybridization (FISH) data and on intraobserver and interlaboratory scoring consistency. HER2 results were scored from 45 breast cancers in 7 laboratories using the Ventana (Tucson, AZ) INFORM HER-2 SISH assay and in 1 central laboratory using a standard FISH assay. Overall, 94.8% of cases were successfully analyzed by SISH across the 6 participating laboratories that reported data. Concordance for diagnosis of HER2 amplification by SISH compared with FISH was high (96.0% overall). Intraobserver variability (8.0%) and intersite variability (12.66%) of absolute HER2/chromosome 17 ratios appear to be tightly controlled across all 6 participating laboratories. The Ventana INFORM HER-2 SISH assay is robust and reproducible, shows good concordance with a standard FISH assay, and complies with requirements in national guidelines for performance of diagnostic tests.

  3. In Situ Materials Study in Hot Hydrothermal Vent Fluid

    NASA Astrophysics Data System (ADS)

    Holland, P. M.; Schindele, W. J.; Holland, C. E.; Lilley, M. D.; Olson, E. J.

    2004-12-01

    We are developing methods and technology for in situ sampling and analysis of volatiles from hot hydrothermal vent fluids inside the mixing boundary. These fluids can reach temperatures of up to 400° C and are known to be corrosive to most materials. While titanium has been the material of choice for contact with these fluids, we wanted to assess whether other materials, such as Hastelloy or nickel might be suitable for in situ sampling from hydrothermal vents. For the present study, small (1/16" o.d.) tubes of chemically pure titanium, Hastelloy C, and Nickel 200 were prepared, using 316 stainless steel as a control. These were placed in an assembly with other test items, and inserted into the hydrothermal vent Sully in the Main Endeavor Field on the Juan de Fuca Plate in June 2003 by the Jason II ROV operated from the R/V Thompson. The assembly was retrieved 46 days later after exposure to approximately 360° C hydrothermal vent fluid at a depth of 2200 m. Inspection showed the stainless steel to be completely eroded away and nickel to be extensively corroded, however both the Hastelloy and titanium tubes were in excellent condition with the 0.030" i.d. passages in the tubes remaining open. Other test items included a miniature titanium filtered inlet fitting containing an 80 mesh titanium screen made of 0.004" (0.1 mm) chemically pure titanium wire, an Inconel washer and a sapphire ball. Apart from some discoloration, there appeared to be no significant degradation in these materials apart from signs of etching on the sapphire.

  4. Mass Effects on the Nucleon Sea Structure Functions

    NASA Astrophysics Data System (ADS)

    Kim, Sun Myong

    Nucleon sea structure functions are studied using Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) equations with the massive gluon-quark splitting kernels for strange and charm quarks, the massless gluon-quark splitting kernels for up and down quarks, and the massless kernels for all other splitting parts. The SU(2)f flavor symmetry for two light quarks, ``up'' and ``down'', is assumed. Glück-Reya-Vogt (GRV) and Martin-Roberts-Stirling (MRS) sets are chosen to be the base structure functions at Q02=3 GeV2. We evolve the sea structure functions from Q02=3 GeV2 to Q2=50 GeV2 using the base structure function sets and DGLAP equations. Some (about 10%) enhancement is found in the strange quark distribution functions at low x (<0.1) in leading order of the DGLAP equations compared to results directly from those structure function sets at the value of Q2=50 GeV2. We provide the value of κ and also show the behavior of κ (x)=2s(x)/(¯ u(x)+¯ d(x)) after the evolution of structure functions.

  5. Mechanistic studies of malonic acid-mediated in situ acylation.

    PubMed

    Chandra, Koushik; Naoum, Johnny N; Roy, Tapta Kanchan; Gilon, Chaim; Gerber, R Benny; Friedler, Assaf

    2015-09-01

    We have previously introduced an easy to perform, cost-effective and highly efficient acetylation technique for solid phase synthesis (SPPS). Malonic acid is used as a precursor and the reaction proceeds via a reactive ketene that acetylates the target amine. Here we present a detailed mechanistic study of the malonic acid-mediated acylation. The influence of reaction conditions, peptide sequence and reagents was systematically studied. Our results show that the methodology can be successfully applied to different types of peptides and nonpeptidic molecules irrespective of their structure, sequence, or conformation. Using alkyl, phenyl, and benzyl malonic acid, we synthesized various acyl peptides with almost quantitative yields. The ketenes obtained from the different malonic acid derived precursors were characterized by in situ (1) H-NMR. The reaction proceeded in short reaction times and resulted in excellent yields when using uronium-based coupling agents, DIPEA as a base, DMF/DMSO/NMP as solvents, Rink amide/Wang/Merrifield resins, temperature of 20°C, pH 8-12 and 5 min preactivation at inert atmosphere. The reaction was unaffected by Lewis acids, transition metal ions, surfactants, or salt. DFT studies support the kinetically favorable concerted mechanism for CO2 and ketene formation that leads to the thermodynamically stable acylated products. We conclude that the malonic acid-mediated acylation is a general method applicable to various target molecules. PMID:25846609

  6. In situ Raman spectroscopy study of oxidation of nanostructured carbons

    NASA Astrophysics Data System (ADS)

    Osswald, Sebastian

    The ability to synthesize carbon nanostructures, such as fullerenes, carbon nanotubes, nanodiamond, and mesoporous carbon; functionalize their surface; or assemble them into three-dimensional networks has opened new avenues for material design. Carbon nanostructures possess tunable optical, electrical or mechanical properties, making them ideal candidates for numerous applications ranging from composite structures and chemical sensors to electronic devices and medical implants. Unfortunately, current synthesis techniques typically lead to a mixture of different types of carbon rather than a particular nanostructure with defined size and properties. In order to fully exploit the great potential of carbon nanostructures, one needs to provide purification procedures that allow a selective separation of carbon nanostructures, and methods which enable a control of size and surface functionalization. Oxidation is a frequently used method for purification of carbon materials, but it can also damage or destroy the sample. In situ Raman spectroscopy during heating in a controlled environment allows a time-resolved investigation of the oxidation kinetics and can identify the changes in material structure and composition, thus helping to accurately determine optimal purification conditions. However, while carbon allotropes such as graphite and diamond show unique Raman signals and allow a fast and straightforward identification, the interpretation of Raman spectra recorded from nanostructures containing mixtures of sp, sp2 and sp3 bonded carbon is more complex and the origin of some peaks in Raman spectra of nanocarbons is not yet fully understood. In this study we applied in situ Raman spectroscopy to determine conditions for selective oxidation of carbon nanostructures, such as nanodiamond, nanotubes, carbide-derived carbon and carbon onions; accurately measure and control the crystal size; and improve the fundamental understanding of effects of temperature, quantum

  7. Microbial Studies Supporting Implementation of In Situ Bioremediation at TAN

    SciTech Connect

    Barnes, Joan Marie; Matthern, Gretchen Elise; Rae, Catherine; Ely, R. L.

    2000-11-01

    The Idaho National Engineering and Environmental Laboratory is evaluating in situ bioremediation of contaminated groundwater at its Test Area North Facility. To determine feasibility, microcosm and bioreactor studies were conducted to ascertain the ability of indigenous microbes to convert trichloroethene and dichloroethene to non-hazardous byproducts under aerobic and anaerobic conditions, and to measure the kinetics of microbial reactions associated with the degradation process. Microcosms were established from core samples and groundwater obtained from within the contaminant plume. These microcosms were amended with nutrients, under aerobic and anaerobic conditions, to identify electron donors capable of stimulating the degradation process. Results of the anaerobic microcosm studies showed that lactate, acetate and propionate amendments stimulated indigenous cell growth and functioned as effective substrates for reductive degradation of chloroethenes. Bioreactors inoculated with cultures from these anaerobic microcosms were operated under a batch mode for 42 days then converted to a fed-batch mode and operated at a 53-day hydraulic residence time. It was demonstrated that indigenous microbes capable of complete anaerobic reductive dechlorination are present in the subject well. It was also demonstrated that aerobic microbes capable of oxidizing chlorinated compounds produced by anaerobic reductive dechlorination are present. Kinetic data suggest that controlling the type and concentration of electron donors can increase trichlorethene conversion rates. In the event that complete mineralization of trichlorethene does not occur following stimulation, and anaerobic/aerobic treatment scheme is feasible.

  8. Structured Functional Principal Component Analysis

    PubMed Central

    Shou, Haochang; Zipunnikov, Vadim; Crainiceanu, Ciprian M.; Greven, Sonja

    2015-01-01

    Summary Motivated by modern observational studies, we introduce a class of functional models that expand nested and crossed designs. These models account for the natural inheritance of the correlation structures from sampling designs in studies where the fundamental unit is a function or image. Inference is based on functional quadratics and their relationship with the underlying covariance structure of the latent processes. A computationally fast and scalable estimation procedure is developed for high-dimensional data. Methods are used in applications including high-frequency accelerometer data for daily activity, pitch linguistic data for phonetic analysis, and EEG data for studying electrical brain activity during sleep. PMID:25327216

  9. In situ time resolved synchrotron powder diffraction study of thaumasite

    NASA Astrophysics Data System (ADS)

    Martucci, Annalisa; Cruciani, Giuseppe

    2006-12-01

    Structural changes during dehydration and subsequent decomposition in thaumasite Ca3Si(SO4)(CO3)(OH)6·12 H2O were studied by in situ synchrotron powder diffraction between 303 and 1,098 K. Evolution of the crystal structure was observed through 28 structure refinements, by full profile Rietveld analysis performed in the P63 space group, between 300 and 417 K, whereupon the thaumasite structure was observed to breakdown. Within this temperature range, the cell parameters of thaumasite increased as a function of temperature in a nearly linear fashion up to about 393 K, at which temperature, a slight slope change was observed. Above 400 K, the thermogravimetric analysis revealed that the dehydration process proceeded very rapidly while the refined occupancy of water molecules dropped below a critical level, leading to instability in the thaumasite structure. At a same time, a remarkable change in the unit cell parameters occurring at about 417 K indicated that the crystal structure of thaumasite collapsed on losing the crystallization water and it turned amorphous. This result indicated that the dehydration/decomposition of thaumasite was induced by the departure of the crystallization water. At about 950 K, anhydrite and cristobalite crystallized from the thaumasite glass.

  10. Atomic force microscope chamber for in situ studies of ice

    NASA Astrophysics Data System (ADS)

    Zepeda, Salvador; Yeh, Yin; Orme, Christine A.

    2001-11-01

    To investigate the surface morphologies of biological systems in a controlled gaseous environment (e.g., the temperature, humidity and composition), most commercial atomic force microscopes require modification. We have designed a double-jacketed environmental chamber specifically for a Nanoscope IIIa (Digital Instruments, Santa Barbara, CA) force microscope. We use cold nitrogen and thermoelectric devices to control the temperature in the chamber; the nitrogen simultaneously serves to create an inert environment. We have also designed a temperature controlled sample stage utilizing thermoelectric devices for fine temperature regulation. A variation of this sample stage allows us to image samples in fluids at cold temperatures with an O-ringless configuration. The relative humidity within the chamber is also measured with commercially available relative humidity sensors. We investigate the surface morphology of ice Ih in its pure phase and shall extend the study to ice in the presence of biological molecules, such as antifreeze proteins. We present a detailed description of our design and our first images of polycrystalline ice and single crystals of ice grown in situ from the vapor.

  11. The Saturn Ring Observer: In situ studies of planetary rings

    NASA Astrophysics Data System (ADS)

    Nicholson, P. D.; Tiscareno, M. S.; Spilker, L. J.

    2010-12-01

    As part of the Planetary Science Decadal Survey recently undertaken by the NRC's Space Studies Board for the National Academy of Sciences, studies were commissioned for a number of potential missions to outer planet targets. One of these studies examined the technological feasibility of a mission to carry out in situ studies of Saturn's rings, from a spacecraft placed in a circular orbit above the ring plane: the Saturn Ring Observer. The technical findings and background are discussed in a companion poster by T. R. Spilker et al. Here we outline the science goals of such a mission. Most of the fundamental interactions in planetary rings occur on spatial scales that are unresolved by flyby or orbiter spacecraft. Typical particle sizes in the rings of Saturn are in the 1 cm - 10 m range, and average interparticle spacings are a few meters. Indirect evidence indicates that the vertical thickness of the rings is as little as 5 - 10 m, which implies a velocity dispersion of only a few mm/sec. Theories of ring structure and evolution depend on the unknown characteristics of interparticle collisions and on the size distribution of the ring particles. The SRO could provide direct measurements of both the coefficient of restitution -- by monitoring individual collisions -- and the particles’ velocity dispersion. High-resolution observations of individual ring particles should also permit estimates of their spin states. Numerical simulations of Saturn’s rings incorporating both collisions and self-gravity predict that the ring particles are not uniformly distributed, but are instead clustered into elongated structures referred to as “self-gravity wakes”, which are continually created and destroyed on an orbital timescale. Theory indicates that the average separation between wakes in the A ring is of order 30-100 m. Direct imaging of self-gravity wakes, including their formation and subsequent dissolution, would provide critical validation of these models. Other

  12. In situ analytical electron microscopy studies of redox reactions at a YSZ/Pt interface.

    PubMed

    Tavabi, Amir Hossein; Arai, Shigeo; Tanji, Takayoshi

    2012-06-01

    Redox reactions were studied at a single yttria-stabilized zirconia (YSZ)/Pt electrode interface, in parallel with pure YSZ with no catalyst electrode, by in situ analytical electron microscopy at elevated temperatures and in an oxygen atmosphere. In situ electron holography showed that the oxide underwent reduction at elevated temperatures in a vacuum and was consequently reoxidized upon exposure to an oxygen flux at the same temperature. In situ energy loss spectroscopy measurements were in agreement with in situ electron holography observations and indicated that the oxidation state of the host cation zirconium was altered in the reduced state of the YSZ to the metastable state Zr(3+).

  13. Generation of recombinant monoclonal antibodies to study structure-function of envelope protein VP28 of white spot syndrome virus from shrimp

    SciTech Connect

    Wang Yuzhen; Zhang Xiaohua; Yuan Li; Xu Tao; Rao Yu; Li Jia; Dai Heping

    2008-08-08

    White spot syndrome virus (WSSV) is a major pathogen in shrimp aquaculture. VP28 is one of the most important envelope proteins of WSSV. In this study, a recombinant antibody library, as single-chain fragment variable (scFv) format, displayed on phage was constructed using mRNA from spleen cells of mice immunized with full-length VP28 expressed in Escherichia coli. After several rounds of panning, six scFv antibodies specifically binding to the epitopes in the N-terminal, middle, and C-terminal regions of VP28, respectively, were isolated from the library. Using these scFv antibodies as tools, the epitopes in VP28 were located on the envelope of the virion by immuno-electron microscopy. Neutralization assay with these antibodies in vitro suggested that these epitopes may not be the attachment site of WSSV to host cell receptor. This study provides a new way to investigate the structure and function of the envelope proteins of WSSV.

  14. Degradation of Bimetallic Model Electrocatalysts ___ an in situ XAS Study

    SciTech Connect

    Friebel, Daniel

    2011-06-22

    One of the major challenges in the development of clean energy fuel cells is the performance degradation of the electrocatalyst, which, apart from poisoning effects, can suffer from corrosion due to its exposure to a harsh environment under high potentials. In this communication, we demonstrate how interactions of Pt with a transition metal support affect not only, as commonly intended, the catalytic activity, but also the reactivity of Pt towards oxide formation or dissolution. We use two well-defined single-crystal model systems, Pt/Rh(111) and Pt/Au(111) and a unique x-ray spectroscopy technique with enhanced energy resolution to monitor the potential-dependent oxidation state of Pt, and find two markedly different oxidation mechanisms on the two different substrates. This information can be of great significance for future design of more active and more stable catalysts. We have studied the potential-induced degradation of Pt monolayer model electrocatalysts on Rh(111) and Au(111) single-crystal substrates. The anodic formation of Pt oxides was monitored using in situ high energy resolution fluorescence detection x-ray absorption spectroscopy (HERFD XAS). Although Pt was deposited on both substrates in a three-dimensional island growth mode, we observed remarkable differences during oxide formation that can only be understood in terms of strong Pt-substrate interactions throughout the Pt islands. Anodic polarization of Pt/Rh(111) up to +1.6 V vs. RHE (reversible hydrogen electrode) leads to formation an incompletely oxidized passive layer, whereas formation of PtO2 and partial Pt dissolution is observed for Pt/Au(111).

  15. In vivo structure-function studies of human hepatic lipase: the catalytic function rescues the lean phenotype of HL-deficient (hl−/−) mice

    PubMed Central

    Chen, Jeffrey; Kaiyala, Karl J; Lam, Jennifer; Agrawal, Nalini; Nguyen, Lisa; Ogimoto, Kayoko; Spencer, Dean; Morton, Gregory J; Schwartz, Michael W; Dichek, Helén L

    2015-01-01

    The lean body weight phenotype of hepatic lipase (HL)–deficient mice (hl−/−) suggests that HL is required for normal weight gain, but the underlying mechanisms are unknown. HL plays a unique role in lipoprotein metabolism performing bridging as well as catalytic functions, either of which could participate in energy homeostasis. To determine if both the catalytic and bridging functions or the catalytic function alone are required for the effect of HL on body weight, we studied (hl−/−) mice that transgenically express physiologic levels of human (h)HL (with catalytic and bridging functions) or a catalytically-inactive (ci)HL variant (with bridging function only) in which the catalytic Serine 145 was mutated to Alanine. As expected, HL activity in postheparin plasma was restored to physiologic levels only in hHL-transgenic mice (hl−/−hHL). During high-fat diet feeding, hHL-transgenic mice exhibited increased body weight gain and body adiposity relative to hl−/−ciHL mice. A similar, albeit less robust effect was observed in female hHL-transgenic relative to hl−/−ciHL mice. To delineate the basis for this effect, we determined cumulative food intake and measured energy expenditure using calorimetry. Interestingly, in both genders, food intake was 5–10% higher in hl−/−hHL mice relative to hl−/−ciHL controls. Similarly, energy expenditure was ∼10% lower in HL-transgenic mice after adjusting for differences in total body weight. Our results demonstrate that (1) the catalytic function of HL is required to rescue the lean body weight phenotype of hl−/− mice; (2) this effect involves complementary changes in both sides of the energy balance equation; and (3) the bridging function alone is insufficient to rescue the lean phenotype of hl−/−ciHL mice. PMID:25862097

  16. Structure-function study of the amino-terminal stretch of the catalase subunit molecule in oligomerization, heme binding, and activity expression.

    PubMed

    Ueda, M; Kinoshita, H; Maeda, S-I; Zou, W; Tanaka, A

    2003-06-01

    Analysis of the protein structure of bovine liver catalase suggested that the N-terminal region containing two alpha-helices may function as a linker binding to another subunit. The number of amino-acid residues in catalase from the n-alkane-assimilating yeast Candida tropicalis (CTC) is the lowest of any eukaryotic catalase molecule hitherto investigated, and only one helix, corresponding to the helix alpha2 in bovine liver catalase, is estimated to be present in the same region. In the present study, N-terminal-deleted mutants of CTC were characterized to evaluate the role of the alpha-helix structure in the N-terminal region. CTCDelta1-4 and CTCDelta1-24, whose N-terminal regions were shortened by four and 24 amino-acid residues, respectively, showed an 80% decrease in specific activity compared to wild-type CTC in spite of containing the same amount of heme as in the wild-type. Polyacrylamide gel electrophoresis under nondenaturing conditions revealed that the mutants contained large amounts of oligomeric forms with molecular masses less than 220 kDa (tetramer assembly). Although the smaller oligomers were found to be bound with heme, only the tetramer exhibited catalase activity in activity staining on nondenaturing gel. CTCDelta1-49, a mutant with deletion of the N-terminal 49 amino-acid residues which contain the conserved helix alpha2, showed no catalase activity and no heme binding. However, the CD spectrum profiles of CTCDelta1-49, CTCDelta1-4, and CTCDelta1-24 indicated that these mutant subunits could attain secondary conformations similar to that of wild-type CTC, regardless of their binding with heme. From these results, it was concluded that the N-terminal stretch of catalase is significant for complete assembly into active tetramer and that the conserved helix alpha2, although it has little effect on the formation of the subunit secondary structure, is indispensable not only in assembling tetramer but also in binding heme. PMID:12764563

  17. Delineation of conformational preferences in human salivary statherin by 1H, 31P NMR and CD studies: sequential assignment and structure-function correlations.

    PubMed

    Naganagowda, G A; Gururaja, T L; Levine, M J

    1998-08-01

    Membrane-induced solution structure of human salivary statherin, a 43 amino acid residue acidic phosphoprotein, has been investigated by two-dimensional proton nuclear magnetic resonance (2D 1H NMR) spectroscopy. NMR assignments and structural analysis of this phosphoprotein was accomplished by analyzing the pattern of sequential and medium range NOEs, alphaCH chemical shift perturbations and deuterium exchange measurements of the amide proton resonances. The NMR data revealed three distinct structural motifs in the molecule: (1) an alpha-helical structure at the N-terminal domain comprising Asp1-Tyr16, (2) a polyproline type II (PPII) conformation predominantly occurring at the middle proline-rich domain spanning Gly19-Gln35, and (3) a 3(10)-helical structure at the C-terminal Pro36-Phe43 sequence. Presence of a few weak dalphaN(i,i+2) NOEs suggests that N-terminus also possesses minor population of 3(10)-helical conformation. Of the three secondary structural elements, helical structure formed by the N-terminal residues, Asp1-Ile11 appears to be more rigid as observed by the relatively very slow exchange of amide hydrogens of Glu5-Ile11. 31P NMR experiments clearly indicated that N-terminal domain of statherin exists mainly in disordered state in water whereas, upon addition of structure stabilizing co-solvent, 2,2,2-trifluorethanol (TFE), it showed a strong propensity for helical conformation. Calcium ion interaction studies suggested that the disordered N-terminal region encompassing the two vicinal phosphoserines is essential for the binding of calcium ions in vivo. Results from the circular dichroism (CD) experiments were found to be consistent with and complimentary to the NMR data and provided an evidence that non-aqueous environment such as TFE, could induce the protein to fold into helical conformation. The findings that the statherin possesses blended solvent sensitive secondary structural elements and the requirement of non-structured N-terminal region

  18. Proton structure functions at small x

    DOE PAGES

    Hentschinski, Martin

    2015-01-01

    Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recentmore » result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F2 and FL, which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F2. We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F2 in the small x region, as measured at HERA. As a result, predictions for the structure function FL are found to be in agreement with the existing HERA data.« less

  19. Proton structure functions at small x

    SciTech Connect

    Hentschinski, Martin

    2015-01-01

    Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recent result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F2 and FL, which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F2. We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F2 in the small x region, as measured at HERA. As a result, predictions for the structure function FL are found to be in agreement with the existing HERA

  20. Towards microfluidic reactors for in situ synchrotron infrared studies

    NASA Astrophysics Data System (ADS)

    Silverwood, I. P.; Al-Rifai, N.; Cao, E.; Nelson, D. J.; Chutia, A.; Wells, P. P.; Nolan, S. P.; Frogley, M. D.; Cinque, G.; Gavriilidis, A.; Catlow, C. R. A.

    2016-02-01

    Anodically bonded etched silicon microfluidic devices that allow infrared spectroscopic measurement of solutions are reported. These extend spatially well-resolved in situ infrared measurement to higher temperatures and pressures than previously reported, making them useful for effectively time-resolved measurement of realistic catalytic processes. A data processing technique necessary for the mitigation of interference fringes caused by multiple reflections of the probe beam is also described.

  1. Holographic microscopy for in situ studies of microorganism motility

    NASA Astrophysics Data System (ADS)

    Nadeau, J.; Hu, S.; Jericho, S.; Lindensmith, C.

    2011-12-01

    Robust technologies for the detection and identification of microorganisms at low concentrations in complex liquid media are needed for numerous applications: environmental and medical microbiology, food safety, and for the search for microbial life elsewhere in the Solar System. The best current method for microbial enumeration is specific labeling with fluorescent dyes followed by high-resolution light microscopy. However, fluorescent techniques are difficult to use in situ in extreme environments (such as the Arctic and Antarctic or the open ocean) due to the fragility of the instruments and their high power demands. In addition, light microscopic techniques rarely provide insight into microbial motility behaviors. Tracking single cells would provide important insight into the physics of micron-scale motility as well as into key microbial phenomena such as surface attachment and invasiveness. An alternative to traditional light microscopy that is attracting increasing attention is holographic microscopy. Holographic microscopy works by illuminating the object of interest with coherent light from a laser. The light reflected from (or transmitted through) the object is then combined with a coherent reference beam to create an interference pattern that contains the phase and intensity information required to reconstruct a three dimensional image of the object. The interference pattern is recorded on a high resolution detector and can be used to computationally reconstruct a 3D image of the object. The lateral resolution of the image depends upon the wavelength of the light used, the laser power, camera quality, and external noise sources (vibration, stray light, and so forth). Although the principle is simple, technological barriers have prevented wider use of holographic microscopy. Laser sources and CCD cameras with the appropriate properties have only very recently become affordable. In addition, holographic microscopy leads to large data sets that are

  2. Evolving Technologies for In-Situ Studies of Mars Ice

    NASA Technical Reports Server (NTRS)

    Carsey, F. D.; Hecht, M. H.

    2003-01-01

    Icy sites on Mars continue to be of high scientific importance. These sites include the polar caps, the southern mid-latitude subsurface permafrost, and the seasonal frost. These sites have interest due to their roles in climate processes, past climates, surface and near-surface water, astrobiology, geomorphology, and other topics. As is the case for many planetary features, remote sensing, while of great value, cannot answer all questions; in-situ examination is essential, and the motivation for in-situ observations generally leads to the subsurface, which, fortunately, is accessible on Mars. It is clear in fact that a Mars polar cap subsurface mission is both scientifically compelling and practical. Recent data from orbiting platforms has provided a remarkable level of information about the Mars ice caps; we know, for example, the size, shape and annual cycle of the cap topography as well as we know that of Earth, and we have more information on stratification that we have of, for example, the ice of East Antarctica. To understand the roles that the Mars polar caps play, it is necessary to gather information on the ice cap surface, strata, composition and bed. In this talk the status of in-situ operations and observations will be summarized, and, since we have conveniently at hand another planet with polar caps, permafrost and ice, the role of testing and validation of experimental procedures on Earth will be addressed.

  3. High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques

    SciTech Connect

    Tromp, Moniek; Russu, Sergio; Russell, Andrea E.; Guerin, Sam; Hayden, Brian E.; Suchsland, Jens-Peter; Frey, Jeremy G.; Binsted, Norman; Dent, Andy J.; Mosselmans, J. Fred W.; Harvey, Ian; Hayama, Shu; Fiddy, Steven; Meacham, Ken; Surridge, Michael; Tsapatsaris, Nikolaos; Beesley, Angela M.; Schroeder, Sven L. M.; Newton, Mark A.; Safonova, Olga V.

    2007-02-02

    High throughput screening methodologies are expanded to synchrotron based x-ray absorption techniques. An environmental chamber, based on ultra-high vacuum equipment, has been developed allowing in situ studies on arrays of samples while X-ray absorption fine structure spectroscopy, Raman spectroscopy, mass spectrometry and/or X-ray diffraction can be applied simultaneously to characterize the system under process conditions in a time-resolved manner. The chamber accommodates a diverse range of samples from surface science to materials chemistry to heterogeneous catalysis. Data acquisition and data logging software is developed to handle large quantities of divers but related information. New data logging, processing and analysis procedures and programs are developed which will allow fast structure-function relationships characterization.

  4. Oxidative Dehydrogenation on Nanocarbon: Intrinsic Catalytic Activity and Structure-Function Relationships.

    PubMed

    Qi, Wei; Liu, Wei; Guo, Xiaoling; Schlögl, Robert; Su, Dangsheng

    2015-11-01

    Physical and chemical insights into the nature and quantity of the active sites and the intrinsic catalytic activity of nanocarbon materials in alkane oxidative dehydrogenation (ODH) reactions are reported using a novel in situ chemical titration process. A study on the structure-function relationship reveals that the active sites are identical both in nature and function on various nanocarbon catalysts. Additionally, the quantity of the active sites could be used as a metric to normalize the reaction rates, and thus to evaluate the intrinsic activity of nanocarbon catalysts. The morphology of the nanocarbon catalysts at the microscopic scale exhibits a minor influence on their intrinsic ODH catalytic activity. The number of active sites calculated from the titration process indicates the number of catalytic centers that are active (that is, working) under the reaction conditions. PMID:26388451

  5. Structural Functionalism as a Heuristic Device.

    ERIC Educational Resources Information Center

    Chilcott, John H.

    1998-01-01

    Argues that structural functionalism as a method for conducting fieldwork and as a format for the analysis of ethnographic data remains a powerful model, one that is easily understood by professional educators. As a heuristic device, functionalist theory can help in the solution of a problem that is otherwise incapable of theoretical…

  6. Feminine Faces of Leadership: Beyond Structural- Functionalism?

    ERIC Educational Resources Information Center

    Fennell, Hope-Arlene

    1999-01-01

    Reviews four philosophical leadership perspectives: structural-functionalism, constructivism, critical theory, and feminism. Explores the leadership phenomenon through the eyes of six women principals. Although the behaviors of all six fall within a structural-functionalist perspective, each is attempting to construct inclusive, positive, and…

  7. 2004 Structural, Function and Evolutionary Genomics

    SciTech Connect

    Douglas L. Brutlag Nancy Ryan Gray

    2005-03-23

    This Gordon conference will cover the areas of structural, functional and evolutionary genomics. It will take a systematic approach to genomics, examining the evolution of proteins, protein functional sites, protein-protein interactions, regulatory networks, and metabolic networks. Emphasis will be placed on what we can learn from comparative genomics and entire genomes and proteomes.

  8. Photon structure function at small x

    SciTech Connect

    Gluck, M.; Reya, E.; Schienbein, I.

    2001-07-01

    It is shown that recent small-x measurements of the photon structure function F{sub 2}{sup {gamma}}(x,Q{sup 2}) by the CERN LEP OPAL Collaboration are consistent with parameter-free QCD predictions at all presently accessible values of Q{sup 2}.

  9. Xenon Implantation in Nanodiamonds: In Situ Transmission Electron Microscopy Study and Molecular Dynamics Simulations

    NASA Astrophysics Data System (ADS)

    Shiryaev, A. A.; Hinks, J.; Marks, N.; Greaves, G.; Donnelly, S.; Fisenko, A. V.; Kiwi, M.

    2016-08-01

    We present results of the first investigation of the Xe implantation process into nanodiamonds of various sizes studied in situ in transmission electron microscope (TEM), complemented by advanced molecular dynamics simulations.

  10. In situ anodization of aluminum surfaces studied by x-ray reflectivity and electrochemical impedance spectroscopy

    NASA Astrophysics Data System (ADS)

    Bertram, F.; Zhang, F.; Evertsson, J.; Carlà, F.; Pan, J.; Messing, M. E.; Mikkelsen, A.; Nilsson, J.-O.; Lundgren, E.

    2014-07-01

    We present results from the anodization of an aluminum single crystal [Al(111)] and an aluminum alloy [Al 6060] studied by in situ x-ray reflectivity, in situ electrochemical impedance spectroscopy and ex situ scanning electron microscopy. For both samples, a linear increase of oxide film thickness with increasing anodization voltage was found. However, the slope is much higher in the single crystal case, and the break-up of the oxide film grown on the alloy occurs at a lower anodization potential than on the single crystal. The reasons for these observations are discussed as are the measured differences observed for x-ray reflectivity and electrochemical impedance spectroscopy.

  11. In situ anodization of aluminum surfaces studied by x-ray reflectivity and electrochemical impedance spectroscopy

    SciTech Connect

    Bertram, F. Evertsson, J.; Messing, M. E.; Mikkelsen, A.; Lundgren, E.; Zhang, F.; Pan, J.; Carlà, F.; Nilsson, J.-O.

    2014-07-21

    We present results from the anodization of an aluminum single crystal [Al(111)] and an aluminum alloy [Al 6060] studied by in situ x-ray reflectivity, in situ electrochemical impedance spectroscopy and ex situ scanning electron microscopy. For both samples, a linear increase of oxide film thickness with increasing anodization voltage was found. However, the slope is much higher in the single crystal case, and the break-up of the oxide film grown on the alloy occurs at a lower anodization potential than on the single crystal. The reasons for these observations are discussed as are the measured differences observed for x-ray reflectivity and electrochemical impedance spectroscopy.

  12. MOLAB, a Mobile Laboratory for In Situ Non-Invasive Studies in Arts and Archaeology

    NASA Astrophysics Data System (ADS)

    Brunetti, B. G.; Matteini, Mauro; Miliani, C.; Pezzati, L.; Pinna, D.

    Mobile laboratory (MOLAB) is a unique joint collection of portable equipment for non-destructive in situ measurements. MOLAB activities are carried out within the frame of the Eu-ARTECH Integrated Infrastructure Initiative of the sixth F.P. In situ measurement is quite useful because it eliminates any risk connected to moving artworks or other precious objects to a laboratory. MOLAB instruments are accessible to European researchers through a peer-review selection of proposals. Starting from July 2004, MOLAB enabled non-destructive in situ studies of many precious artworks, such as paintings by Perugino, Raphael and Leonardo.

  13. In situ studies of microbial inactivation during high pressure processing

    NASA Astrophysics Data System (ADS)

    Maldonado, Jose Antonio; Schaffner, Donald W.; Cuitiño, Alberto M.; Karwe, Mukund V.

    2016-01-01

    High pressure processing (HPP) has been shown to reduce microbial concentration in foods. The mechanisms of microbial inactivation by HPP have been associated with damage to cell membranes. The real-time response of bacteria to HPP was measured to elucidate the mechanisms of inactivation, which can aid in designing more effective processes. Different pressure cycling conditions were used to expose Enterobacter aerogenes cells to HPP. Propidium iodide (PI) was used as a probe, which fluoresces after penetrating cells with damaged membranes and binding with nucleic acids. A HPP vessel with sapphire windows was used for measuring fluorescence in situ. Membrane damage was detected during pressurization and hold time, but not during depressurization. The drop in fluorescence was larger than expected after pressure cycles at higher pressure and longer times. This indicated possible reversible disassociation of ribosomes resulting in additional binding of PI to exposed RNA under pressure and its release after depressurization.

  14. Dynamic versus Static Hadronic Structure Functions

    SciTech Connect

    Brodsky, Stanley J.; /SLAC

    2009-01-09

    'Static' structure functions are the probabilistic distributions computed from the square of the light-front wavefunctions of the target hadron. In contrast, the 'dynamic' structure functions measured in deep inelastic lepton-hadron scattering include the effects of rescattering associated with the Wilson line. Initial- and final-state rescattering, neglected in the parton model, can have a profound effect in QCD hard-scattering reactions, producing single-spin asymmetries, diffractive deep inelastic scattering, diffractive hard hadronic reactions, the breakdown of the Lam-Tung relation in Drell-Yan reactions, nuclear shadowing, and non-universal nuclear antishadowing|novel leading-twist physics not incorporated in the light-front wavefunctions of the target computed in isolation. I also review how 'direct' higher-twist processes--where a proton is produced in the hard subprocess itself--can explain the anomalous proton-to-pion ratio seen in high centrality heavy ion collisions.

  15. Structure functions of electroweak boson and leptons

    SciTech Connect

    Slominski, W; Szwed, J. |

    1996-04-02

    The QCD structure of the electroweak bosons is reviewed and the lepton structure function is defined and calculated. The leading order splitting functions of electron into quarks are extracted, showing an important contribution from {gamma}-Z interference. Leading logarithmic QCD evolution equations are constructed and solved in the asymptotic region where log{sup 2} behavior of the Parton densities is observed. Possible applications with clear manifestation of ``resolved`` photon and weak bosons are discussed. 8 refs., 3 figs.

  16. Alterations in juvenile flatfish gill epithelia induced by sediment-bound toxicants: A comparative in situ and ex situ study.

    PubMed

    Martins, Carla; Alves de Matos, António P; Costa, Maria H; Costa, Pedro M

    2015-12-01

    Juvenile Solea senegalensis were exposed in the laboratory (ex situ) and field (in situ) to different sediments of a moderately impacted estuary (the Sado, Portugal) for 28 days. A qualitative histopathological screening yielded scant lesions to gills, albeit alterations such as epithelial hyperplasia being evident and more frequent in fish exposed ex situ. Fully quantitative traits, namely chloride and goblet cell count and size revealed differences between the two bioassay approaches, with ex situ experiments likely enhancing bioavailability of toxicants. Chloride cells endured autolytic processes that could, at least in part, relate to contamination by mixed metals and polycyclic aromatic hydrocarbons (PAHs). Goblet cells did not reveal changes in the chemistry of mucous. Still, their number and size was reduced in fish exposed ex situ to the sediments most contaminated by PAHs, with evidence for adaptation. Also, copper histochemistry revealed the potential role of mucocytes in the regulation of metals.

  17. Alterations in juvenile flatfish gill epithelia induced by sediment-bound toxicants: A comparative in situ and ex situ study.

    PubMed

    Martins, Carla; Alves de Matos, António P; Costa, Maria H; Costa, Pedro M

    2015-12-01

    Juvenile Solea senegalensis were exposed in the laboratory (ex situ) and field (in situ) to different sediments of a moderately impacted estuary (the Sado, Portugal) for 28 days. A qualitative histopathological screening yielded scant lesions to gills, albeit alterations such as epithelial hyperplasia being evident and more frequent in fish exposed ex situ. Fully quantitative traits, namely chloride and goblet cell count and size revealed differences between the two bioassay approaches, with ex situ experiments likely enhancing bioavailability of toxicants. Chloride cells endured autolytic processes that could, at least in part, relate to contamination by mixed metals and polycyclic aromatic hydrocarbons (PAHs). Goblet cells did not reveal changes in the chemistry of mucous. Still, their number and size was reduced in fish exposed ex situ to the sediments most contaminated by PAHs, with evidence for adaptation. Also, copper histochemistry revealed the potential role of mucocytes in the regulation of metals. PMID:26518455

  18. Polarized Structure Functions: Proton/Deuteron Measurements in Hall C

    SciTech Connect

    Oscar A. Rondon

    2005-02-01

    The study of the nucleon polarized structure functions has matured beyond the inclusive measurements of the past to the investigation of all eight quark distribution functions in the nucleon. Jefferson Lab's Hall C program of polarized structure functions studies started with a measurement of the proton and deuteron spin structure in the resonances at Q2 {approx} 1.3 [GeV/c]2. This work will be extended for the proton to more than 5 [GeV/c]2 for both DIS and the resonances in the upcoming SANE experiment. SANE will use a novel non-magnetic very large solid angle detector, BETA. Semi-inclusive asymmetries will be measured to determine the flavor composition of the nucleon spin in the recently approved Semi-SANE experiment. The 11 GeV energy upgrade will open new opportunities to study other functions, such as the transversity, Collins and Sievers functions, using vertical polarized targets.

  19. Miniaturized Environmental Scanning Electron Microscope for In Situ Planetary Studies

    NASA Technical Reports Server (NTRS)

    Gaskin, Jessica; Abbott, Terry; Medley, Stephanie; Gregory, Don; Thaisen, Kevin; Taylor , Lawrence; Ramsey, Brian; Jerman, Gregory; Sampson, Allen; Harvey, Ralph

    2010-01-01

    The exploration of remote planetary surfaces calls for the advancement of low power, highly-miniaturized instrumentation. Instruments of this nature that are capable of multiple types of analyses will prove to be particularly useful as we prepare for human return to the moon, and as we continue to explore increasingly remote locations in our Solar System. To this end, our group has been developing a miniaturized Environmental-Scanning Electron Microscope (mESEM) capable of remote investigations of mineralogical samples through in-situ topographical and chemical analysis on a fine scale. The functioning of an SEM is well known: an electron beam is focused to nanometer-scale onto a given sample where resulting emissions such as backscattered and secondary electrons, X-rays, and visible light are registered. Raster scanning the primary electron beam across the sample then gives a fine-scale image of the surface topography (texture), crystalline structure and orientation, with accompanying elemental composition. The flexibility in the types of measurements the mESEM is capable of, makes it ideally suited for a variety of applications. The mESEM is appropriate for use on multiple planetary surfaces, and for a variety of mission goals (from science to non-destructive analysis to ISRU). We will identify potential applications and range of potential uses related to planetary exploration. Over the past few of years we have initiated fabrication and testing of a proof-of-concept assembly, consisting of a cold-field-emission electron gun and custom high-voltage power supply, electrostatic electron-beam focusing column, and scanning-imaging electronics plus backscatter detector. Current project status will be discussed. This effort is funded through the NASA Research Opportunities in Space and Earth Sciences - Planetary Instrument Definition and Development Program.

  20. Experimental study on neptunium migration under in situ geochemical conditions

    NASA Astrophysics Data System (ADS)

    Kumata, M.; Vandergraaf, T. T.

    1998-12-01

    Results are reported for migration experiments performed with Np under in situ geochemical conditions over a range of groundwater flow rates in columns of crushed rock in a specially designed facility at the 240-level of the Underground Research Laboratory (URL) near Pinawa, Manitoba, Canada. This laboratory is situated in an intrusive granitic rock formation, the Lac du Bonnet batholith. Highly altered granitic rock and groundwater were obtained from a major subhorizontal fracture zone at a depth of 250 m in the URL. The granite was wet-crushed and wet-sieved with groundwater from this fracture zone. The 180-850-μm size fraction was selected and packed in 20-cm long, 2.54-cm in diameter Teflon™-lined stainless steel columns. Approximately 30-ml vols of groundwater containing 3HHO and 237Np were injected into the columns at flow rates of 0.3, 1, and 3 ml/h, followed by elution with groundwater, obtained from the subhorizontal fracture, at the same flow rates, for a period of 95 days. Elution profiles for 3HHO were obtained, but no 237Np was detected in the eluted groundwater. After terminating the migration experiments, the columns were frozen, the column material was removed and cut into twenty 1-cm thick sections and each section was analyzed by gamma spectrometry. Profiles of 237Np were obtained for the three columns. A one-dimensional transport model was fitted to the 3HHO breakthrough curves to obtain flow parameters for this experiment. These flow parameters were in turn applied to the 237Np concentration profiles in the columns to produce sorption and dispersion coefficients for Np. The results show a strong dependence of retardation factors ( Rf) on flow rate. The decrease in the retarded velocity of the neptunium ( Vn) varied over one order of magnitude under the geochemical conditions for these experiments.

  1. A no extensive statistical model for the nucleon structure function

    SciTech Connect

    Trevisan, Luis A.; Mirez, Carlos

    2013-03-25

    We studied an application of nonextensive thermodynamics to describe the structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and two chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon.

  2. Linking stoichiometric homoeostasis with ecosystem structure, functioning and stability.

    PubMed

    Yu, Qiang; Chen, Quansheng; Elser, James J; He, Nianpeng; Wu, Honghui; Zhang, Guangming; Wu, Jianguo; Bai, Yongfei; Han, Xingguo

    2010-11-01

    Ecosystem structure, functioning and stability have been a focus of ecological and environmental sciences during the past two decades. The mechanisms underlying their relationship, however, are not well understood. Based on comprehensive studies in Inner Mongolia grassland, here we show that species-level stoichiometric homoeostasis was consistently positively correlated with dominance and stability on both 2-year and 27-year temporal scales and across a 1200-km spatial transect. At the community level, stoichiometric homoeostasis was also positively correlated with ecosystem function and stability in most cases. Thus, homoeostatic species tend to have high and stable biomass; and ecosystems dominated by more homoeostatic species have higher productivity and greater stability. By modulating organism responses to key environmental drivers, stoichiometric homoeostasis appears to be a major mechanism responsible for the structure, functioning and stability of grassland ecosystems.

  3. A-dependence of weak nuclear structure functions

    SciTech Connect

    Haider, H.; Athar, M. Sajjad; Simo, I. Ruiz

    2015-05-15

    Effect of nuclear medium on the weak structure functions F{sub 2}{sup A}(x, Q{sup 2}) and F{sub 3}{sup A}(x, Q{sup 2}) have been studied using charged current (anti)neutrino deep inelastic scattering on various nuclear targets. Relativistic nuclear spectral function which incorporate Fermi motion, binding and nucleon correlations are used for the calculations. We also consider the pion and rho meson cloud contributions calculated from a microscopic model for meson-nucleus self-energies. Using these structure functions, F{sub i}{sup A}/F{sub i}{sup proton} and F{sub i}{sup A}/F{sub i}{sup deuteron}(i=2,3, A={sup 12}C, {sup 16}O, CH and H{sub 2}O) are obtained.

  4. In Situ TEM Nanoindentation Studies on Stress-Induced Phase Transformations in Metallic Materials

    DOE PAGES

    Liu, Y.; Wang, H.; Zhang, X.

    2015-11-30

    Though abundant phase transformations are in general thermally driven processes, there are many examples wherein stresses can induce phase transformations. We applied numerous in situ techniques, such as in situ x-ray diffraction and neutron diffraction in order to reveal phase transformations. Recently, an in situ nanoindentation technique coupled with transmission electron microscopy demonstrated the capability to directly correlating stresses with phase transformations and microstructural evolutions at a submicron length scale. We briefly review in situ studies on stress-induced diffusional and diffusionless phase transformations in amorphous CuZrAl alloy and NiFeGa shape memory alloy. Moreover, in the amorphous CuZrAl, in situ nanoindentationmore » studies show that the nucleation of nanocrystals (a diffusional process) occurs at ultra-low stresses manifested by a prominent stress drop. In the NiFeGa shape memory alloy, two distinctive types of martensitic (diffusionless) phase transformations accompanied by stress plateaus are observed, including a reversible gradual phase transformation at low stress levels, and an irreversible abrupt phase transition at higher stress levels.« less

  5. In Situ TEM Nanoindentation Studies on Stress-Induced Phase Transformations in Metallic Materials

    SciTech Connect

    Liu, Y.; Wang, H.; Zhang, X.

    2015-11-30

    Though abundant phase transformations are in general thermally driven processes, there are many examples wherein stresses can induce phase transformations. We applied numerous in situ techniques, such as in situ x-ray diffraction and neutron diffraction in order to reveal phase transformations. Recently, an in situ nanoindentation technique coupled with transmission electron microscopy demonstrated the capability to directly correlating stresses with phase transformations and microstructural evolutions at a submicron length scale. We briefly review in situ studies on stress-induced diffusional and diffusionless phase transformations in amorphous CuZrAl alloy and NiFeGa shape memory alloy. Moreover, in the amorphous CuZrAl, in situ nanoindentation studies show that the nucleation of nanocrystals (a diffusional process) occurs at ultra-low stresses manifested by a prominent stress drop. In the NiFeGa shape memory alloy, two distinctive types of martensitic (diffusionless) phase transformations accompanied by stress plateaus are observed, including a reversible gradual phase transformation at low stress levels, and an irreversible abrupt phase transition at higher stress levels.

  6. Studies of cosmogenic in situ produced carbon-14 in polar accumulation and ablation ice

    SciTech Connect

    Lal, D. ); Jull, A.J.T.; Donahue, D.J. )

    1993-01-01

    Polar ice contains a suite of extraneous substances that serve as direct and proxy links to the paleoenvironment. These substances - stable and radioactive isotopes, chemical compounds, and particles - are being studied to delineate different aspects of geophysical and environmental changes in the past. A relatively new addition to the useful tracers is carbon 14. This article summarizes the highlights of the work done thus far on the studies of the in situ produced carbon 14 accumulation and ablation ice and indicate the potential of the in situ carbon 14 as a tracer for ice dynamics. 13 refs.

  7. Evolution of the Photon Structure Function.

    NASA Astrophysics Data System (ADS)

    da Luz Vieira, J. H.

    1987-09-01

    Available from UMI in association with The British Library. Requires signed TDF. From the earliest QCD calculations of the transverse structure function, F_sp{2}{ gamma}(x,Q^2), it was hoped that experimental measurements would provide a test of Lambda_{rm QCD }. However, there were difficulties with singularities which could be removed mathematically at the expense of introducing initial conditions defined at a minimum cut -off Q_sp{0}{2}. Two different approaches to evaluating the parton densities for F_sp{2}{gamma }(x,Q^2) are considered with the intention of evolving the structure function to Q^2 from Q_sp{0 }{2} at which the parton densities are defined from experimental data. One technique is suitable for generalization to incorporate the initial parton densities, and a model was developed to evolve F_sp {2}{gamma}(x,Q ^2). The resulting predictions for F _sp{2}{gamma}(x,Q ^2) were compared to existing results from other authors and to the available experimental data. Various theories concerning the hadronic parametrizations of the photon structure function at low Q^2 are considered and employed to parametrize the low Q^2 TPC data to obtain the initial parton densities at Q_sp{0}{2 } = 0.7 GeV^2. It is assumed that perturbative QCD can describe the evolution of F_sp{2}{gamma} (x,Q^2) for Q^2 > Q_sp{0}{2 }, but the results show that using hadronic initial conditions produces predictions which do not correspond to the data, therefore this assumption is wrong. The experimental data at Q^2 = 5.3 GeV^2 can be described by perturbative QCD and are therefore translated into the initial parton densities at Q_sp{0 }{2} = 5.3 GeV^2. One is correct in assuming that the evolution of F _sp{2}{gamma}(x,Q ^2) can be predicted in perturbative QCD for Q^2 > Q_sp {0}{2}, but little is understood about the photon at 1 < Q^2 < 5 GeV^2. The resulting predictions at higher Q^2 correspond well with the data however due to the experimental error bars Lambda_{QCD} cannot be measured.

  8. Antimicrobial effect of chlorhexidine digluconate in dentin: In vitro and in situ study

    PubMed Central

    Borges, Fátima Maria Cavalcante; de Melo, Mary Anne Sampaio; Lima, Juliana Paiva Marques; Zanin, Iriana Carla Junqueria; Rodrigues, Lidiany Karla Azevedo

    2012-01-01

    Aim: The aim of this study was to evaluate a very short-term in vitro and in situ effect of 2% chlorhexidine-digluconate-based (CHX) cavity cleanser on the disinfection of dentin demineralized by cariogenic bacteria. Materials and Methods: Human dentin slabs were randomly allocated and used in 2 distinct phases, in vitro and in situ, for obtaining demineralized dentin. In vitro, the slabs (n=15) were immersed for 5 days in BHI broth inoculated with Streptococcus mutans CTT 3440. In situ, a double-blind design was conducted in one phase of 14 days, during which 20 volunteers wore palatal devices containing two human dental dentin slabs. On 5th day in vitro and 14th day in situ, the slabs were allocated to the two groups: Control group (5 μl of 0.9% NaCl solution) and CHX group (5 μl of 2% chlorhexidine digluconate solution, Cavity Cleanser™ BISCO, Schaumburg, IL, EUA), for 5 minutes. The microbiological analyses were performed immediately before and after the treatments. Results: The log reductions means found for CHX treatment on tested micro organisms were higher when compared to Control group either in vitro or in situ conditions. Conclusions: Our results showed that CHX was effective in reducing the cultivable microbiota in contaminated dentin. Furthermore, although the use of chlorhexidine-digluconate-based cavity disinfectant did not completely eliminate the viable microorganisms, it served as a suitable agent to disinfect tooth preparations. PMID:22368330

  9. How to design in situ studies: an evaluation of experimental protocols

    PubMed Central

    Sung, Young-Hye; Kim, Hae-Young; Son, Ho-Hyun

    2014-01-01

    Objectives Designing in situ models for caries research is a demanding procedure, as both clinical and laboratory parameters need to be incorporated in a single study. This study aimed to construct an informative guideline for planning in situ models relevant to preexisting caries studies. Materials and Methods An electronic literature search of the PubMed database was performed. A total 191 of full articles written in English were included and data were extracted from materials and methods. Multiple variables were analyzed in relation to the publication types, participant characteristics, specimen and appliance factors, and other conditions. Frequencies and percentages were displayed to summarize the data and the Pearson's chi-square test was used to assess a statistical significance (p < 0.05). Results There were many parameters commonly included in the majority of in situ models such as inclusion criteria, sample sizes, sample allocation methods, tooth types, intraoral appliance types, sterilization methods, study periods, outcome measures, experimental interventions, etc. Interrelationships existed between the main research topics and some parameters (outcome measures and sample allocation methods) among the evaluated articles. Conclusions It will be possible to establish standardized in situ protocols according to the research topics. Furthermore, data collaboration from comparable studies would be enhanced by homogeneous study designs. PMID:25110639

  10. In situ transmission electron microscope studies of irradiation-induced and irradiation-enhanced phase changes

    SciTech Connect

    Allen, C.W.

    1991-12-31

    Motivated at least initially by materials needs for nuclear reactor development, extensive irradiation effects studies employing TEMs have been performed for several decades, involving irradiation-induced and irradiation-enhanced, microstructural changes, including phase transformations such as precipitation, dissolution, crystallization, amorphization, and order-disorder phenomena. From the introduction of commercial high voltage electron microscopes (HVEM) in the mid-1960s, studies of electron irradiation effects have constituted a major aspect of HVEM application in materials science. For irradiation effects studies two additional developments have had particularly significant impact: (1) The availability of TEM specimen holders in which specimen temperature can be controlled in the range 10--2200 K; and (2) the interfacing of ion accelerators which allows in situ TEM studies of irradiation effects and the ion beam modification of materials within this broad temperature range. This paper treats several aspects of in situ studies of electron and ion beam-induced and enhanced phase changes, including the current state of in situ ion beam capability internationally, and presents two case studies involving in situ experiments performed in an HVEM to illustrate the dynamics of such an approach in materials research.

  11. In situ transmission electron microscope studies of irradiation-induced and irradiation-enhanced phase changes

    SciTech Connect

    Allen, C.W.

    1991-01-01

    Motivated at least initially by materials needs for nuclear reactor development, extensive irradiation effects studies employing TEMs have been performed for several decades, involving irradiation-induced and irradiation-enhanced, microstructural changes, including phase transformations such as precipitation, dissolution, crystallization, amorphization, and order-disorder phenomena. From the introduction of commercial high voltage electron microscopes (HVEM) in the mid-1960s, studies of electron irradiation effects have constituted a major aspect of HVEM application in materials science. For irradiation effects studies two additional developments have had particularly significant impact: (1) The availability of TEM specimen holders in which specimen temperature can be controlled in the range 10--2200 K; and (2) the interfacing of ion accelerators which allows in situ TEM studies of irradiation effects and the ion beam modification of materials within this broad temperature range. This paper treats several aspects of in situ studies of electron and ion beam-induced and enhanced phase changes, including the current state of in situ ion beam capability internationally, and presents two case studies involving in situ experiments performed in an HVEM to illustrate the dynamics of such an approach in materials research.

  12. Study of in-situ degradation of thermal control surfaces

    NASA Technical Reports Server (NTRS)

    Gilligan, J. E.; Zerlaut, G. A.

    1972-01-01

    Experimental technique used in study of damage mechanism to semiconductor pigments exposed to ultraviolet radiation can be adapted for investigations of surface chemistry and may be used analytically to determine contamination.

  13. In situ spectroscopic ellipsometry studies of hydrogen ion bombardment of crystalline silicon

    SciTech Connect

    Hu, Y.Z.; Li, M.; Conrad, K.; Andres, J.W.; Irene, E.A.; Denker, M.; Ray, M.; McGuire, G.

    1992-05-01

    Hydrogen-bombardment induced damage in single crystal silicon as a function of the substrate temperature, ion energy, and ion dose was studied using in situ spectroscopic ellipsometry over the photon energy range 2.0-5.5 eV under high vacuum conditions. The incident hydrogen ion energies were 300 and 1000 eV, and the doses were 10{sup 15}-10{sup 18} ions/cm{sup 2}. In situ spectroscopic ellipsometry results showed that the damage layer thicknesses for the samples bombarded at elevated temperatures are smaller than for samples bombarded at room temperature and subsequently annealed at the same elevated temperature. The diffusion coefficient for hydrogen in silicon of 6 x 10{sup {minus}15} cm{sup {minus}2}/s was obtained from the in situ spectroscopic ellipsometry data. 40 refs., 11 figs., 1 tab.

  14. In Situ Potentiometry and Ellipsometry: A Promising Tool to Study Biofouling of Potentiometric Sensors.

    PubMed

    Lisak, Grzegorz; Arnebrant, Thomas; Lewenstam, Andrzej; Bobacka, Johan; Ruzgas, Tautgirdas

    2016-03-15

    In situ potentiometry and null ellipsometry was combined and used as a tool to follow the kinetics of biofouling of ion-selective electrodes (ISEs). The study was performed using custom-made solid-contact K(+)-ISEs consisting of a gold surface with immobilized 6-(ferrocenyl)hexanethiol as ion-to-electron transducer that was coated with a potassium-selective plasticized polymer membrane. The electrode potential and the ellipsometric signal (corresponding to the amount of adsorbed protein) were recorded simultaneously during adsorption of bovine serum albumin (BSA) at the surface of the K(+)-ISEs. This in situ method may become useful in developing sensors with minimized biofouling.

  15. Preparation of multilayered materials in cross-section for in situ TEM tensile deformation studies

    SciTech Connect

    Wall, M. A., LLNL

    1997-05-13

    The success of in-situ transmission electron microscopy experimentation is often dictated by proper specimen preparation. We report here a novel technique permitting the production of cross-sectioned tensile specimens of multilayered films for in-situ deformation studies. Of primary importance in the development of this technique is the production of an electron transparent micro-gauge section using focused ion beam technology. This microgauge section predetermines the position at which plastic deformation is initiated; crack nucleation, growth and failure are then subsequently observed.

  16. Structure, Function and Regulation of the Clostridium cellulovorans Cellulosome

    SciTech Connect

    Doi, Roy H

    2008-06-01

    Our major goal for this project (2004-2008) was to obtain an understanding ofthe structure, function, and regulation of the Clostridium cellulovorans cellulosomes. Our specific goals were to select genes for cellulosomal and non-cellulosomal enzymes and characterize their products, to study the synergistic action between cellulosomal and non-cellulosomal enzymes, to study the composition of cellulosomes when cells were grown with different carbon sources, continue our studies on the scaffolding protein and examine heterologous expression of cellulosomal genes in Bacillus subtilis. We fulfilled the specific goals of our proposal.

  17. In-Situ Chemical Reduction and Oxidation of VOCs in Groundwater: Groundwater Treatability Studies

    NASA Technical Reports Server (NTRS)

    Keith, Amy; Glasgow, Jason; McCaleh, Rececca C. (Technical Monitor)

    2001-01-01

    This paper presents NASA Marshall Space Flight Center's treatability studies for volatile organic compounds in groundwater. In-Situ groundwater treatment technologies include: 1) Chemical Reduction(Ferox); 2) Chemical Oxidation (Fenton Reagents, Permanganate, and Persulfate); and 3) Thermal (Dynamic Underground Stripping, Six-Phase Heating). This paper is presented in viewgraph form.

  18. Structure Function for High-Concentration Biophantoms of Polydisperse Scatterer Sizes

    PubMed Central

    Han, Aiguo; O’Brien, William D.

    2015-01-01

    Ultrasonic backscattering coefficient (BSC) has been used extensively to characterize tissue. In most cases, sparse scatterer concentrations are assumed. However, many types of tissues have dense scattering media. This study addresses the problem of dense media scattering by taking into account the correlation among scatterers using the structure functions. The effect of scatterer polydispersity on the structure functions is investigated. Structure function models based on polydisperse scatterers are theoretically developed and experimentally evaluated against the structure functions obtained from cell pellet biophantoms. The biophantoms were constructed by placing live cells of known concentration in coagulation media to form a clot. The BSCs of the biophantoms were estimated using single-element transducers over the frequency range from 11 to 105 MHz. Experimental structure functions were obtained by comparing the BSCs of two cell concentrations. The structure functions predicted by the models agreed with the experimental structure functions. Fitting the models yielded cell radius estimates that were consistent with direct light microscope measures. The results demonstrate the role of scatterer position correlation on dense media scattering, and the significance of scatterer polydispersity on structure functions. This work may lead to more accurate modeling of ultrasonic scattering in dense medium for improved tissue characterization. PMID:25643080

  19. Combined in situ XRD and in situ XANES studies on the reduction behavior of a rhenium promoted cobalt catalyst.

    PubMed

    Kumar, Nitin; Payzant, E A; Jothimurugesan, K; Spivey, J J

    2011-08-28

    A 10% Co-4% Re/(2% Zr/SiO(2)) catalyst was prepared by co-impregnation using a silica support modified by 2% Zr. The catalyst was characterized by temperature programmed reduction (TPR), in situ XRD and in situ XANES analysis where it was simultaneously exposed to H(2) using a temperature programmed ramp. The results showed the two step reduction of large crystalline Co(3)O(4) with CoO as an intermediate. TPR results showed that the reduction of highly dispersed Co(3)O(4) was facilitated by reduced rhenium by a H(2)-spillover mechanism. In situ XRD results showed the presence of both, Co-hcp and Co-fcc phases in the reduced catalyst at 400 °C. However, the Co-hcp phase was more abundant, which is thought to be the more active phase as compared to the Co-fcc phase for CO hydrogenation. CO hydrogenation at 270 °C and 5 bar pressure produces no detectable change in the phases during the time of experiment. In situ XANES results showed a decrease in the metallic cobalt in the presence of H(2)/CO, which can be attributed due to oxidation of the catalyst by reaction under these conditions. PMID:21743918

  20. An in situ sample environment reaction cell for spatially resolved x-ray absorption spectroscopy studies of powders and small structured reactors

    SciTech Connect

    Zhang, Chu; Gustafson, Johan; Merte, Lindsay R.; Evertsson, Jonas; Norén, Katarina; Carlson, Stefan; Svensson, Håkan; Carlsson, Per-Anders

    2015-03-15

    An easy-to-use sample environment reaction cell for X-ray based in situ studies of powders and small structured samples, e.g., powder, pellet, and monolith catalysts, is described. The design of the cell allows for flexible use of appropriate X-ray transparent windows, shielding the sample from ambient conditions, such that incident X-ray energies as low as 3 keV can be used. Thus, in situ X-ray absorption spectroscopy (XAS) measurements in either transmission or fluorescence mode are facilitated. Total gas flows up to about 500 ml{sub n}/min can be fed while the sample temperature is accurately controlled (at least) in the range of 25–500 °C. The gas feed is composed by a versatile gas-mixing system and the effluent gas flow composition is monitored with mass spectrometry (MS). These systems are described briefly. Results from simultaneous XAS/MS measurements during oxidation of carbon monoxide over a 4% Pt/Al{sub 2}O{sub 3} powder catalyst are used to illustrate the system performance in terms of transmission XAS. Also, 2.2% Pd/Al{sub 2}O{sub 3} and 2% Ag − Al{sub 2}O{sub 3} powder catalysts have been used to demonstrate X-ray absorption near-edge structure (XANES) spectroscopy in fluorescence mode. Further, a 2% Pt/Al{sub 2}O{sub 3} monolith catalyst was used ex situ for transmission XANES. The reaction cell opens for facile studies of structure-function relationships for model as well as realistic catalysts both in the form of powders, small pellets, and coated or extruded monoliths at near realistic conditions. The applicability of the cell for X-ray diffraction measurements is discussed.

  1. An in situ sample environment reaction cell for spatially resolved x-ray absorption spectroscopy studies of powders and small structured reactors

    NASA Astrophysics Data System (ADS)

    Zhang, Chu; Gustafson, Johan; Merte, Lindsay R.; Evertsson, Jonas; Norén, Katarina; Carlson, Stefan; Svensson, Hâkan; Carlsson, Per-Anders

    2015-03-01

    An easy-to-use sample environment reaction cell for X-ray based in situ studies of powders and small structured samples, e.g., powder, pellet, and monolith catalysts, is described. The design of the cell allows for flexible use of appropriate X-ray transparent windows, shielding the sample from ambient conditions, such that incident X-ray energies as low as 3 keV can be used. Thus, in situ X-ray absorption spectroscopy (XAS) measurements in either transmission or fluorescence mode are facilitated. Total gas flows up to about 500 mln/min can be fed while the sample temperature is accurately controlled (at least) in the range of 25-500 °C. The gas feed is composed by a versatile gas-mixing system and the effluent gas flow composition is monitored with mass spectrometry (MS). These systems are described briefly. Results from simultaneous XAS/MS measurements during oxidation of carbon monoxide over a 4% Pt/Al2O3 powder catalyst are used to illustrate the system performance in terms of transmission XAS. Also, 2.2% Pd/Al2O3 and 2% Ag - Al2O3 powder catalysts have been used to demonstrate X-ray absorption near-edge structure (XANES) spectroscopy in fluorescence mode. Further, a 2% Pt/Al2O3 monolith catalyst was used ex situ for transmission XANES. The reaction cell opens for facile studies of structure-function relationships for model as well as realistic catalysts both in the form of powders, small pellets, and coated or extruded monoliths at near realistic conditions. The applicability of the cell for X-ray diffraction measurements is discussed.

  2. IN SITU INFRARED STUDY OF CATALYTIC DECOMPOSITION OF NO

    SciTech Connect

    KHALID ALMUSAITEER; RAM KRISHNAMURTHY; STEVEN S.C. CHUANG

    1998-08-18

    The growing concerns for the environment and increasingly stringent standards for NO emission have presented a major challenge to control NO emissions from electric utility plants and automobiles. Catalytic decomposition of NO is the most attractive approach for the control of NO emission for its simplicity. Successful development of an effective catalyst for NO decomposition will greatly decrease the equipment and operation cost of NO control. Due to lack of understanding of the mechanism of NO decomposition, efforts on the search of an effective catalyst have been unsuccessful. Scientific development of an effective catalyst requires fundamental understanding of the nature of active site, the rate-limiting step, and an approach to prolong the life of the catalyst. Research is proposed to study the reactivity of adsorbates for the direct NO decomposition and to investigate the feasibility of two novel approaches for improving catalyst activity and resistance to sintering. The first approach is the use of silanation to stabilize metal crystallites and supports for Cu-ZSM-5 and promoted Pt catalysts; the second is utilization of oxygen spillover and desorption to enhance NO decomposition activity. An innovative infrared reactor system will be used to observe and determine the dynamic behavior and the reactivity of adsorbates during NO decomposition, oxygen spillover, and silanation. A series of experiments including X-ray diffraction, temperature programmed desorption, temperature programmed reaction, X-ray photoelectron spectroscopy will be used to characterized the catalysts. The information obtained from this study will provide a scientific basis for developing an effective catalyst for the NO decomposition under practical flue gas conditions.

  3. In Situ Infrared Study of Catalytic Decomposition of NO

    SciTech Connect

    Cher-Dip Tan; Steven S.C. Chuang

    1997-07-17

    The growing concerns for the environment and increasingly stringent standards for NO emission have presented a major challenge to control NO emmissions from electric utility plants and automobiles. Catalytic decomposition of NO is the most attractive approach for the control of NO emission for its simplicity. Successful development of an effective catalyst for NO decomposition will greatly decrease the equipment and operation cost of NO control. Due to lack of understanding of the mechanism of NO decomposition, efforts on the search of an effective catalyst have been unsuccesful. Scientific development of an effective catalyst requires fundamental understanding of the nature of active site, the rate-limiting step, and an approach to prolong the life of the catalyst. Research is proposed to study the reactivity of adsorbates for the direct NO decomposition and to investigate the feasibility of two novel approaches for improving catalyst activity and resistance to sintering. The first approach is the use of silanation to stabilize metal crystallites and supports for Cu-ZSM-5 and promoted Pt catalysts; the second is utilization of oxygen spillover and desorption to enhance NO decomposition activity. An innovative infrared reactor system will be used to observe and determine the dynamic behavior and the reactivity of adsorbates during NO decomposition, oxygen spillover, and silanation. A series of experiments including X-ray diffraction, temperature programmed desorption, temperature programmed reaction, X-ray photoelectron spectroscopy will be used to characterized the catalysts. The information obtained from this study will provide a scientific basis for developing an effective catalyst for the NO decomposition under practical flue gas conditions.

  4. Relationship between columnar cell changes and low-grade carcinoma in situ of the breast--a cytogenetic study.

    PubMed

    Go, Edna May L; Tsang, Julia Y S; Ni, Yun-Bi; Yu, Alex M; Mendoza, Paulo; Chan, Siu-Ki; Lam, Christopher C; Lui, Philip C; Tan, Puay-Hoon; Tse, Gary M

    2012-11-01

    Columnar cell lesions of the breast include columnar cell changes without atypia and columnar cell changes with atypia. The latter frequently coexist and share molecular changes with low-grade carcinoma in situ and invasive carcinoma, suggesting that columnar cell changes may be precursors to progression of low-grade advanced lesions. In this study, we assessed chromosomal aberrations at 16q, hallmark for low-grade lesions, in columnar cell changes with or without atypia and their adjacent carcinoma in situ by fluorescent in situ hybridization using 3 region-specific probes spanning the entire chromosomal arm. The results were correlated with the histomorphological features of the corresponding lesions. Forty-four percent of low-grade carcinoma in situ and 31% of high-grade carcinoma in situ were associated with columnar cell changes with atypia, suggesting a link between columnar cell changes with atypia and low-grade carcinoma in situ. For the genetic aberrations, heterozygous deletion of 16q was present in 56% of low-grade carcinoma in situ but only in 19% of high-grade carcinoma in situ. Conversely, aneuploidy was found mostly in high-grade carcinoma in situ (88%). Twenty percent of columnar cell changes with atypia but none of the columnar cell changes without atypia showed heterozygous deletion of 16q. Interestingly, the same changes in 16q were observed in the columnar cell changes and their associated low-grade carcinoma in situ lesions. These findings demonstrated a genetic commonality between columnar cell changes with atypia and low-grade carcinoma in situ and substantiated the precursor role of columnar cell changes with atypia for low-grade carcinoma in situ but not high-grade carcinoma in situ of the breast.

  5. Structure-Function Analysis of Yeast Tubulin

    PubMed Central

    Luchniak, Anna; Fukuda, Yusuke; Gupta, Mohan L.

    2014-01-01

    Microtubules play essential roles in a wide variety of cellular processes including cell division, motility, and vesicular transport. Microtubule function depends on the polymerization dynamics of tubulin, and specific interactions between tubulin and diverse microtubule-associated proteins. To date, investigation of the structural and functional properties of tubulin and tubulin mutants has been limited by the inability to obtain functional protein from overexpression systems, and by the heterogeneous mixture of tubulin isotypes typically isolated from higher eukaryotes. The budding yeast, Saccharomyces cerevisiae, has emerged as a leading system for tubulin structure-function analysis. Yeast cells encode a single beta-tubulin gene and can be engineered to express just one, of two, alpha isotypes. Moreover, yeast allows site-directed modification of tubulin genes at the endogenous loci expressed under the native promoter and regulatory elements. These advantageous features provide a homogeneous and controlled environment for analysis of the functional consequences of specific mutations. Here we present techniques to generate site-specific tubulin mutations in diploid and haploid cells, assess the ability of the mutated protein to support cell viability, measure overall microtubule stability, and define changes in the specific parameters of microtubule dynamic instability. We also outline strategies to determine whether mutations disrupt interactions with microtubule-associated proteins. Microtubule-based functions in yeast are well defined, which allows the observed changes in microtubule properties to be related to the role of microtubules in specific cellular processes. PMID:23973083

  6. Nitric oxide synthases: structure, function and inhibition.

    PubMed Central

    Alderton, W K; Cooper, C E; Knowles, R G

    2001-01-01

    This review concentrates on advances in nitric oxide synthase (NOS) structure, function and inhibition made in the last seven years, during which time substantial advances have been made in our understanding of this enzyme family. There is now information on the enzyme structure at all levels from primary (amino acid sequence) to quaternary (dimerization, association with other proteins) structure. The crystal structures of the oxygenase domains of inducible NOS (iNOS) and vascular endothelial NOS (eNOS) allow us to interpret other information in the context of this important part of the enzyme, with its binding sites for iron protoporphyrin IX (haem), biopterin, L-arginine, and the many inhibitors which interact with them. The exact nature of the NOS reaction, its mechanism and its products continue to be sources of controversy. The role of the biopterin cofactor is now becoming clearer, with emerging data implicating one-electron redox cycling as well as the multiple allosteric effects on enzyme activity. Regulation of the NOSs has been described at all levels from gene transcription to covalent modification and allosteric regulation of the enzyme itself. A wide range of NOS inhibitors have been discussed, interacting with the enzyme in diverse ways in terms of site and mechanism of inhibition, time-dependence and selectivity for individual isoforms, although there are many pitfalls and misunderstandings of these aspects. Highly selective inhibitors of iNOS versus eNOS and neuronal NOS have been identified and some of these have potential in the treatment of a range of inflammatory and other conditions in which iNOS has been implicated. PMID:11463332

  7. Materials testing for in situ stabilization treatability study of INEEL mixed wastes soils

    SciTech Connect

    Heiser, J.; Fuhrmann, M.

    1997-09-01

    This report describes the contaminant-specific materials testing phase of the In Situ Stabilization Comprehensive Environment Response, Compensation, and Liability Act (CERCLA) Treatability Study (TS). The purpose of materials testing is to measure the effectiveness of grouting agents to stabilize Idaho National Engineering and Environmental Laboratory (INEEL) Acid Pit soils and select a grout material for use in the Cold Test Demonstration and Acid Pit Stabilization Treatability Study within the Subsurface Disposal Area (SDA) at the Radioactive Waste Management Complex (RWMC). Test results will assist the selecting a grout material for the follow-on demonstrations described in Test Plan for the Cold Test Demonstration and Acid Pit Stabilization Phases of the In Situ Stabilization Treatability Study at the Radioactive Waste Management Complex.

  8. Time-resolved in situ Studies of Apatite Formation in Aqueous Solutions

    SciTech Connect

    Borkiewicz, O.; Rakovan, J; Cahill, C

    2010-01-01

    Formation of hydroxylapatite through the precipitation and evolution of calcium phosphate precursor phases under varying conditions of temperature (25-90 C), pH (6.5-9.0), and calcium to phosphorus ratio (1.0, 1.33, 1.5, and 1.67) comparable to those found in many sediments and soils were studied. The products of low-temperature precipitation were analyzed by ex situ X-ray diffraction and SEM, as well as time-resolved in situ synchrotron X-ray diffraction. Rietveld refinement was used for quantitative evaluation of relative abundances during phase evolution. The results of ex situ investigations conducted at ambient temperature and near-neutral pH indicate formation of amorphous calcium phosphate, which over the course of experiments transforms to brushite and ultimately hydroxylapatite. The results of in situ X-ray diffraction experiments suggest a more complex pathway of phase development under the same conditions. Some of the initially formed amorphous calcium phosphate and/or crystalline brushite transformed to octacalcium phosphate. In the later stage of the reactions, octacalcium phosphate transforms quite rapidly to hydroxylapatite. This is accompanied or followed by the transformation of the remaining brushite to monetite. Hydroxylapatite and monetite coexist in the sample throughout the remainder of the experiments. In contrast to the near-neutral pH experiments, the results from ex situ and in situ diffraction investigations performed at higher pH yield similar results. The precipitate formed in the initial stages in both types of experiments was identified as amorphous calcium phosphate, which over the course of the reaction quite rapidly transformed to hydroxylapatite without any apparent intermediate phases. This is the first application of time-resolved in situ synchrotron X-ray diffraction to precipitation reactions in the Ca(OH){sub 2}-H{sub 3}PO{sub 4}-H{sub 2}O system. The results indicate that precursors are likely to occur during the natural or

  9. The ratio of the beauty structure functions Rb=FLb/F2b at low x

    NASA Astrophysics Data System (ADS)

    Boroun, G. R.

    2014-07-01

    We study the structure functions Fkb(x,Q2) (k=2,L) and the reduced cross section σrb(x,Q2) for small values of Bjorken's x variable with respect to the hard (Lipatov) pomeron for the gluon distribution and provide a compact formula for the ratio Rb that is useful to extract the beauty structure function from the beauty reduced cross section, in particular at DESY HERA. Also we show that the effects of the nonlinear corrections to the gluon distribution tame the behavior of the beauty structure function and the beauty reduced cross section at low x.

  10. Structure Function Analysis of AGN Variability using Kepler

    NASA Astrophysics Data System (ADS)

    Kasliwal, Vishal P.; Vogeley, Michael S.; Richards, Gordon T.

    2014-06-01

    We study the variability properties of AGN light-curves observed by the Kepler satellite. AGN optical fluxes are known to exhibit stochastic variations on time-scales of hours, days, months and years. Previous efforts to characterize the stochastic nature of this variability have been hampered by the lack of high-precision space-based measurements of AGN fluxes with regular cadence. Kepler provides light-curves with a S/N ratio of 10-5 for 87 AGN observed over a period of ~ 3 years with a cadence of once every 30 minutes allowing for a detailed examination of the variability process. We probe AGN variability using the Structure Functions of the light-curves of the Kepler AGN. Monte-Carlo simulations of the structure function are used to fit the observed light-curve to models for the Power Spectral Density. We test various models for the form of the PSD including the damped random walk and the powered exponential models. We show that on the shorter time-scales probed by Kepler data, the damped random walk model fails to adequately characterize AGN variability. We find that the PSD may be better modelled by combination of a steep power law of the form 1/f3 on shorter time-scales, and a more shallow power law of the form 1/f2 on the longer time-scales traditionally probed by ground-based variability studies.

  11. Automated data extraction from in situ protein stable isotope probing studies

    SciTech Connect

    Slysz, Gordon W.; Steinke, Laurey A.; Ward, David M.; Klatt, Christian G.; Clauss, Therese RW; Purvine, Samuel O.; Payne, Samuel H.; Anderson, Gordon A.; Smith, Richard D.; Lipton, Mary S.

    2014-01-27

    Protein stable isotope probing (protein-SIP) has strong potential for revealing key metabolizing taxa in complex microbial communities. While most protein-SIP work to date has been performed under controlled laboratory conditions to allow extensive isotope labeling of the target organism, a key application will be in situ studies of microbial communities under conditions that result in small degrees of partial labeling. One hurdle restricting large scale in situ protein-SIP studies is the lack of algorithms and software for automated data processing of the massive data sets resulting from such studies. In response, we developed Stable Isotope Probing Protein Extraction Resources software (SIPPER) and applied it for large scale extraction and visualization of data from short term (3 h) protein-SIP experiments performed in situ on Yellowstone phototrophic bacterial mats. Several metrics incorporated into the software allow it to support exhaustive analysis of the complex composite isotopic envelope observed as a result of low amounts of partial label incorporation. SIPPER also enables the detection of labeled molecular species without the need for any prior identification.

  12. Electrochemical and in situ spectroscopic studies of materials of relevance to energy storage and electrocatalysis

    NASA Astrophysics Data System (ADS)

    Mo, Yibo

    In situ X-ray absorption (XAS), surface enhanced Raman spectroscopy (SERS) and rotating ring disk electrode techniques have been employed for the characterization of materials of relevance to electrochemical energy storage and electrocatalysis. In particular, analysis of in situ Ir LIII-edge extended X-ray absorption fine structure (EXAFS) of IrO2 films electrodeposited on Au substrates yielded Ir-O bond lengths decreasing in the sequence 2.02, 1.97 and 1.93 A, for Ir3+, Ir4+ and Ir5+ sites, respectively. Although features consistent with the presence of crystalline IrO2 in the highly hydrated films were found from in situ SERS, the lack of intense shells in the FT of the EXAFS function beyond the nearest oxygen neighbors indicates that the films by and large do not display long range order. In similar studies, the Fourier transform of the k3-weighted Ru K-edge EXAFS of electrodeposited RuO2 films recorded in situ were characterized by two shells attributed to Ru-O and Ru-Ru interactions at 1.94(1) and 3.12(2) A, in agreement with results obtained ex situ for Ru4+ in hydrous RuO2, whereas films in the reduced state yielded a single Ru-O interaction shell at 2.02(1) A. Extensions of these in situ XAS to the study of electrocatalysts for the nitrite reduction made it possible to identify and characterize the electronic and structural properties of a nitrosyl iron porphyrin adduct adsorbed on an electrode surface via the analysis of Fe K-edge XAS data. The effects of Se and S ad-atoms on the electrocatalytic activity of Pt electrodes have been examined using RRDE techniques. In acid, within a rather narrow range of coverages, both S- and Se-modified Pt surfaces promote the 2-electron reduction of dioxygen to hydrogen peroxide at ca. 100% faradaic efficiency over a wide potential region. Also developed were methods for immobilizing unsupported dispersed high area Pt particles a glassy carbon (GC) disk of a rotating Pt(ring)/GC(disk) electrode assembly allowing

  13. Studies of a photochromic model system using NMR with ex-situ and in-situ irradiation devices.

    PubMed

    Wolff, Christiane; Kind, Jonas; Schenderlein, Helge; Bartling, Hanna; Feldmeier, Christian; Gschwind, Ruth M; Biesalski, Markus; Thiele, Christina M

    2016-06-01

    The switching behavior of a photochromic model system was investigated in detail via NMR spectroscopy in order to improve understanding of the compound itself and to provide ways to obtain insights into composition trends of a photo switchable (polymeric) material containing spiropyran/merocyanine units. In addition to the classical irradiation performed outside the magnet (ex-situ), a device for irradiation inside the NMR spectrometer (in-situ) was tested. Both setups are introduced, their advantages and disadvantages as well as their limits are described and the setup for future investigations of photochromic materials is suggested. The influence of different sample concentrations, irradiation procedures, and light intensities on the model system was examined as well as the dependence on solvent, temperature, and irradiation wavelengths. Using the recently published LED illumination device, it was even possible to record two-dimensional spectra on this model system with rather short half-life (7 min in DMSO). This way (13) C chemical shifts of the merocyanine form were obtained, which were unknown before. Copyright © 2016 John Wiley & Sons, Ltd.

  14. Studies of a photochromic model system using NMR with ex-situ and in-situ irradiation devices.

    PubMed

    Wolff, Christiane; Kind, Jonas; Schenderlein, Helge; Bartling, Hanna; Feldmeier, Christian; Gschwind, Ruth M; Biesalski, Markus; Thiele, Christina M

    2016-06-01

    The switching behavior of a photochromic model system was investigated in detail via NMR spectroscopy in order to improve understanding of the compound itself and to provide ways to obtain insights into composition trends of a photo switchable (polymeric) material containing spiropyran/merocyanine units. In addition to the classical irradiation performed outside the magnet (ex-situ), a device for irradiation inside the NMR spectrometer (in-situ) was tested. Both setups are introduced, their advantages and disadvantages as well as their limits are described and the setup for future investigations of photochromic materials is suggested. The influence of different sample concentrations, irradiation procedures, and light intensities on the model system was examined as well as the dependence on solvent, temperature, and irradiation wavelengths. Using the recently published LED illumination device, it was even possible to record two-dimensional spectra on this model system with rather short half-life (7 min in DMSO). This way (13) C chemical shifts of the merocyanine form were obtained, which were unknown before. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26891085

  15. Demonstration testing and evaluation of in situ soil heating. Treatability study work plan, Revision 1

    SciTech Connect

    Sresty, G.C.

    1994-07-07

    A Treatability Study planned for the demonstration of the in situ electromagnetic (EM) heating process to remove organic solvents is described in this Work Plan. The treatability study will be conducted by heating subsurface vadose-zone soils in an organic plume adjacent to the Classified Burial Ground K-1070-D located at K-25 Site, Oak Ridge. The test is scheduled to start during the fourth quarter of FY94 and will be completed during the first quarter of FY95. The EM heating process for soil decontamination is based on volumetric heating technologies developed during the `70s for the recovery of fuels from shale and tar sands by IIT Research Institute (IITRI) under a co-operative program with the US Department of Energy (DOE). Additional modifications of the technology developed during the mid `80s are currently used for the production of heavy oil and waste treatment. Over the last nine years, a number of Government agencies (EPA, Army, AF, and DOE) and industries sponsored further development and testing of the in situ heating and soil decontamination process for the remediation of soils containing hazardous organic contaminants. In this process the soil is heated in situ using electrical energy. The contaminants are removed from the soil due to enhanced vaporization, steam distillation and stripping. IITRI will demonstrate the EM Process for in situ soil decontamination at K-25 Site under the proposed treatability study. Most of the contaminants of concern are volatile organics which can be removed by heating the soil to a temperature range of 85 to 95 C. The efficiency of the treatment will be determined by comparing the concentration of contaminants in soil samples. Samples will be obtained before and after the demonstration for a measurement of the concentration of contaminants of concern.

  16. Understanding structure, function, and mutations in the mitochondrial ATP synthase

    PubMed Central

    Xu, Ting; Pagadala, Vijayakanth; Mueller, David M.

    2015-01-01

    The mitochondrial ATP synthase is a multimeric enzyme complex with an overall molecular weight of about 600,000 Da. The ATP synthase is a molecular motor composed of two separable parts: F1 and Fo. The F1 portion contains the catalytic sites for ATP synthesis and protrudes into the mitochondrial matrix. Fo forms a proton turbine that is embedded in the inner membrane and connected to the rotor of F1. The flux of protons flowing down a potential gradient powers the rotation of the rotor driving the synthesis of ATP. Thus, the flow of protons though Fo is coupled to the synthesis of ATP. This review will discuss the structure/function relationship in the ATP synthase as determined by biochemical, crystallographic, and genetic studies. An emphasis will be placed on linking the structure/function relationship with understanding how disease causing mutations or putative single nucleotide polymorphisms (SNPs) in genes encoding the subunits of the ATP synthase, will affect the function of the enzyme and the health of the individual. The review will start by summarizing the current understanding of the subunit composition of the enzyme and the role of the subunits followed by a discussion on known mutations and their effect on the activity of the ATP synthase. The review will conclude with a summary of mutations in genes encoding subunits of the ATP synthase that are known to be responsible for human disease, and a brief discussion on SNPs. PMID:25938092

  17. Spin structure functions: a window into the structure of hadrons

    SciTech Connect

    Dodge, Gail

    2005-08-01

    A large program of spin structure measurements is underway in Jefferson Lab's Hall B. Of particular interest is the first moment of the spin structure function g1, which goes through a rapid transition from the photon point (Q2 = 0), where it is constrained by the Gerasimov-Drell-Hearn sum rule, to the deep inelastic limit where it is sensitive to the nucleon spin fraction carried by quarks. One can then study the transition from hadronic to quark degrees of freedom over the whole range of Q2. It is also interesting to look for the onset of quark-hadron duality in spin structure functions. We use longitudinally polarized electrons with energies from 1.6 to 5.7 GeV incident upon polarized NH3 and ND3 targets to investigate proton and deuteron spin observables in and above the resonance region. We present the GDH and Bjorken integrals using the 1.6 and 5.7 GeV data and comment on the validity of local quark-hadron duality over the wide kinematical range (0.05 ? Q2 ? 4.5 GeV2 and W < 3.2

  18. In situ activity recovery of aging biofilm in biological aerated filter: Surfactants treatment and mechanisms study.

    PubMed

    Yu, Qisheng; Huang, Hui; Ren, Hongqiang; Ding, Lili; Geng, Jinju

    2016-11-01

    In situ activity recovery of aging biofilm in the biological aerated filter (BAF) is an important but underappreciated problem. Lab-scaled BAFs were established in this study and three kinds of surfactants containing sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate (SDBS) and rhamnolipid were employed. Multiple indicators including effluent qualities, dissolved organic matters, biofilm physiology and morphology characteristics were investigated to explore the mechanisms. Results showed that removal rates of effluent COD in test groups significantly recovered to the level before aging. Compared with the control, effluent in SDBS and rhamnolipid-treated groups obtained more protein-like and humic-like substances, respectively. Furthermore, great live cell ratio, smooth surface and low adhesion force of biofilm were observed after rhamnolipid treatment, which was in consistent with good effluent qualities in the same group. This is the first report of applying rhamnolipid for in situ activity recovery of aging biofilm in bioreactors. PMID:27513646

  19. Research study on horizontal well drilling and in-situ remediation: Final program plan

    SciTech Connect

    Kaback, D.S.; Looney, B.B.

    1988-02-22

    Vacuum extraction and air-stripping are new technologies that have broad applications at sites of volatile organic contaminated soils and groundwater. These types of sites are very common across the United States. A research study to test the combined effect of both technologies in an in-situ setting is planned. Vacuum extraction has been demonstrated as an effective technique to remediate the vadose zone both at SRP and at numerous sites across the country. Air stripping has also been demonstrated as an effective technique in an above-ground setting at SRP and across the country. However, to our knowledge it has not been tested as an in-situ method. The proposed research is on the leading edge of groundwater/vadose zone remediation technology and has great potential to impact available technology in this field. 3 refs., 13 figs., 1 tab.

  20. Localization of cytomegalovirus DNA in plastic-embedded sections by in situ hybridization. A methodologic study.

    PubMed Central

    Cao, M.; Beckstead, J. H.

    1989-01-01

    The use of in situ hybridization for the identification of specific nucleic acid sequences in tissue sections has the potential for broad application in pathology. Although this technique has been successfully applied to routine paraffin sections, there have been few studies of the application of in situ hybridization to plastic-embedded tissue sections. The authors adapted techniques developed for paraffin sections to take advantage of the potential for improved morphology and more precise localization inherent in the plastic sections. A commercially available biotinylated DNA probe specific for the cytomegalovirus to develop a practical method for detection of nucleic acid sequences in plastic-embedded tissues was used. Using plastic sections, cytomegalovirus DNA sequences could readily be identified with precise localization of the virus and superb histology. Images Figure 2 Figure 3 Figure 1 Figure 4 PMID:2537020

  1. In Situ Potentiometry and Ellipsometry: A Promising Tool to Study Biofouling of Potentiometric Sensors.

    PubMed

    Lisak, Grzegorz; Arnebrant, Thomas; Lewenstam, Andrzej; Bobacka, Johan; Ruzgas, Tautgirdas

    2016-03-15

    In situ potentiometry and null ellipsometry was combined and used as a tool to follow the kinetics of biofouling of ion-selective electrodes (ISEs). The study was performed using custom-made solid-contact K(+)-ISEs consisting of a gold surface with immobilized 6-(ferrocenyl)hexanethiol as ion-to-electron transducer that was coated with a potassium-selective plasticized polymer membrane. The electrode potential and the ellipsometric signal (corresponding to the amount of adsorbed protein) were recorded simultaneously during adsorption of bovine serum albumin (BSA) at the surface of the K(+)-ISEs. This in situ method may become useful in developing sensors with minimized biofouling. PMID:26864883

  2. In Situ Fourier transform infrared spectroscopic study of the thermal degradation of isotactic poly(propylene).

    PubMed

    He, Peng; Xiao, Yan; Zhang, Puming; Zhu, Na; Zhu, Xinyuan; Yan, Deyue

    2005-01-01

    The conformational change of isotactic poly(propylene) (iPP) during the thermal degradation process has been carefully studied by in situ Fourier transform infrared (FT-IR) spectroscopy. This new method of studying thermal degradation of iPP not only shows the conventional kinetic parameter information of thermal degradation such as the degradation activation energy DeltaE and the degradation factor n, which are in accord with the results of traditional thermogravimetry experiments, but also indicates that many significant molecular structure changes occur during the thermal degradation process that come from some characteristic absorption band changes of in situ FT-IR. A multivariate approach, principal components analysis (PCA), is applied to the analysis of infrared (IR) data, and the results further confirm the multi-step processes of the thermal degradation of iPP. Above all, this is a new application to polymer thermal degradation by in situ FT-IR that connects the intermediate conformational change with final results during thermal degradation.

  3. In situ study of heavy ion irradiation response of immiscible Cu/Fe multilayers

    NASA Astrophysics Data System (ADS)

    Chen, Y.; Li, N.; Bufford, D. C.; Li, J.; Hattar, K.; Wang, H.; Zhang, X.

    2016-07-01

    Recent studies show that immiscible metallic multilayers with incoherent interfaces can effectively reduce defect density in ion irradiated metals by providing active defect sinks that capture and annihilate radiation induced defect clusters. Although it is anticipated that defect density within the layers should vary as a function of distance to the layer interface, there is, to date, little in situ TEM evidence to validate this hypothesis. In this study monolithic Cu films and Cu/Fe multilayers with individual layer thickness, h, of 100 and 5 nm were subjected to in situ Cu ion irradiation at room temperature to nominally 1 displacement-per-atom inside a transmission electron microscope. Rapid formation and propagation of defect clusters were observed in monolithic Cu, whereas fewer defects with smaller dimensions were generated in Cu/Fe multilayers with smaller h. Furthermore in situ video shows that the cumulative defect density in Cu/Fe 100 nm multilayers indeed varies, as a function of distance to the layer interfaces, supporting a long postulated hypothesis.

  4. Development of an in Situ NMR Photoreactor To Study Environmental Photochemistry.

    PubMed

    Bliumkin, Liora; Dutta Majumdar, Rudraksha; Soong, Ronald; Adamo, Antonio; Abbatt, Jonathan P D; Zhao, Ran; Reiner, Eric; Simpson, André J

    2016-06-01

    Photochemistry is a key environmental process directly linked to the fate, source, and toxicity of pollutants in the environment. This study explores two approaches for integrating light sources with nuclear magnetic resonance (NMR) spectroscopy: sample irradiation using a "sunlight simulator" outside the magnet versus direct irradiation of the sample inside the magnet. To assess their applicability, the in situ NMR photoreactors were applied to a series of environmental systems: an atmospheric pollutant (p-nitrophenol), crude oil extracts, and groundwater. The study successfully illustrates that environmentally relevant aqueous photochemical processes can be monitored in situ and in real time using NMR spectroscopy. A range of intermediates and degradation products were identified and matched to the literature. Preliminary measurements of half-lives were also obtained from kinetic curves. The sunlight simulator was shown to be the most suitable model to explore environmental photolytic processes in situ. Other light sources with more intense UV output hold potential for evaluating UV as a remediation alternative in areas such as wastewater treatment plants or oil spills. Finally, the ability to analyze the photolytic fate of trace chemicals at natural abundance in groundwater, using a cryogenic probe, demonstrates the viability of NMR spectroscopy as a powerful and complementary technique for environmental applications in general.

  5. Development of an in Situ NMR Photoreactor To Study Environmental Photochemistry.

    PubMed

    Bliumkin, Liora; Dutta Majumdar, Rudraksha; Soong, Ronald; Adamo, Antonio; Abbatt, Jonathan P D; Zhao, Ran; Reiner, Eric; Simpson, André J

    2016-06-01

    Photochemistry is a key environmental process directly linked to the fate, source, and toxicity of pollutants in the environment. This study explores two approaches for integrating light sources with nuclear magnetic resonance (NMR) spectroscopy: sample irradiation using a "sunlight simulator" outside the magnet versus direct irradiation of the sample inside the magnet. To assess their applicability, the in situ NMR photoreactors were applied to a series of environmental systems: an atmospheric pollutant (p-nitrophenol), crude oil extracts, and groundwater. The study successfully illustrates that environmentally relevant aqueous photochemical processes can be monitored in situ and in real time using NMR spectroscopy. A range of intermediates and degradation products were identified and matched to the literature. Preliminary measurements of half-lives were also obtained from kinetic curves. The sunlight simulator was shown to be the most suitable model to explore environmental photolytic processes in situ. Other light sources with more intense UV output hold potential for evaluating UV as a remediation alternative in areas such as wastewater treatment plants or oil spills. Finally, the ability to analyze the photolytic fate of trace chemicals at natural abundance in groundwater, using a cryogenic probe, demonstrates the viability of NMR spectroscopy as a powerful and complementary technique for environmental applications in general. PMID:27172272

  6. Analysis of Small x Behaviour of Longitudinal and Heavy Favour Structure Functions of Proton

    NASA Astrophysics Data System (ADS)

    Baruah, Nomita; Das, Mrinal Kumar; Sarma, Jayanta Kumar

    2015-10-01

    The behaviour of structure functions F L , with respect to Bjorken variable x are studied using Taylor series expansion method at small x. At small values of x, all these quantities are dominated by the gluon content of the proton. Here, we use the input distribution of gluon from Donnachie-Landshoff (DL) model to determine the longitudinal and heavy flavour structure function of proton. We compare our results with the recent HERA data and results of DL and Colour Dipole models which shows good agreement with data and fit. We use our results of heavy flavour structure function to analyze the behaviour of DIS cross section ratio R h ( x, Q 2) and reduced cross section in heavy quark lepto-production at small values of x. We have also studied the behaviour of the heavy quark content of the F L structure functions with respect to x.

  7. Structure-function relationship of monocot mannose-binding lectins.

    PubMed Central

    Barre, A; Van Damme, E J; Peumans, W J; Rougé, P

    1996-01-01

    The monocot mannose-binding lectins are an extended superfamily of structurally and evolutionarily related proteins, which until now have been isolated from species of the Amaryllidaceae, Alliaceae, Araceae, Orchidaceae, and Liliaceae. To explain the obvious differences in biological activities, the structure-function relationships of the monocot mannose-binding lectins were studied by a combination of glycan-binding studies and molecular modeling using the deduced amino acid sequences of the currently known lectins. Molecular modeling indicated that the number of active mannose-binding sites per monomer varies between three and zero. Since the number of binding sites is fairly well correlated with the binding activity measured by surface plasmon resonance, and is also in good agreement with the results of previous studies of the biological activities of the mannose-binding lectins, molecular modeling is of great value for predicting which lectins are best suited for a particular application. PMID:8972598

  8. In Situ Transmission Electron Microscopy And Spectroscopy Studies Of Rechargeable Batteries Under Dynamic Operating Conditions: A Retrospective And Perspective View

    SciTech Connect

    Wang, Chong M.

    2015-02-14

    Since the advent of the transmission electron microscope (TEM), continuing efforts have been made to image material under native and reaction environments that typically involve liquids, gases, and external stimuli. With the advances of aberration-corrected TEM for improving the imaging resolution, steady progress has been made on developing methodologies that allow imaging under dynamic operating conditions, or in situ TEM imaging. The success of in situ TEM imaging is closely associated with advances in microfabrication techniques that enable manipulation of nanoscale objects around the objective lens of the TEM. This paper summarizes and highlights recent progress involving in situ TEM studies of energy storage materials, especially rechargeable batteries. The paper is organized to cover both the in situ TEM techniques and the scientific discoveries made possible by in situ TEM imaging.

  9. In situ study of the magnetoelectrolysis phenomenon during copper electrodeposition using time domain NMR relaxometry.

    PubMed

    Gomes, Bruna Ferreira; Nunes, Luiza Maria Silva; Lobo, Carlos Manuel Silva; Cabeça, Luís Fernando; Colnago, Luiz Alberto

    2014-10-01

    Although the effect of magnetic field (B) on electrochemical reactions (magnetoelectrolysis phenomenon) has been long known, it has not been considered in electrochemical reactions analyzed in situ by magnetic resonance methods, such as nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and magnetic resonance imaging (MRI), which are intrinsically performed in the presence of B. In this report, the effect of B on the copper electrodeposition reaction, measured by a low-field (0.23 T) NMR spectrometer, was demonstrated. As expected, an enhancement in the reaction rate in comparison to the ex situ electrodeposition reaction was observed. Such enhancement was not dependent on electrodes/magnetic field orientations. Parallel and perpendicular orientations showed similar electrodeposition rates, which is explained by the cyclotron flows generated by distortions in electric and magnetic field lines near the electrode and the electrode edge. Therefore, NMR spectroscopy is not a passive analytical method, as assumed in preceding in situ spectroelectrochemical studies. Although the magnetoelectrolysis phenomenon demonstrated in this report used a paramagnetic ion, it can also be observed for diamagnetic species, since the magnetoelectrolysis phenomenon is independent of the nature of the species. Consequently, similar convection effects may occur in other electrochemical nuclear magnetic resonance (EC-NMR) experiments, such as the electrochemical reaction of organic molecules, as well as in electrocatalysis/fuel cells, lithium-ion batteries, and experiments that use electrochemical electron paramagnetic resonance (EC-EPR) and electrochemical magnetic resonance imaging (EC-MRI).

  10. In situ SEM Study of Lithium Intercalation in individual V2O5 Nanowires

    DOE PAGES

    Strelcov, Evgheni; Cothren, Joshua E.; Leonard, Donovan N.; Borisevich, Albina Y.; Kolmakov, Andrei

    2015-01-08

    Progress in rational engineering of Li-ion batteries requires better understanding of the electrochemical processes and accompanying transformations in the electrode materials on multiple length scales. In spite of recent progress in utilizing transmission electron microscopy (TEM) to analyze these materials, in situ scanning electron microscopy (SEM) was mostly overlooked as a powerful tool that allows probing these phenomena on the nano and mesoscale. In this paper, we report on in situ SEM study of lithiation in a V2O5-based single-nanobelt battery with ionic liquid electrolyte. Coupled with cyclic voltammetry measurements, in situ SEM revealed the peculiarities of subsurface intercalation, formation ofmore » solid-electrolyte interface (SEI) and electromigration of liquid. We observed that single-crystalline vanadia nanobelts do not undergo large-scale amorphization or fracture during electrochemical cycling, but rather transform topochemically with only a slight shape distortion. Lastly, the SEI layer seems to have significant influence on the lithium ion diffusion and overall capacity of the single-nanobelt battery.« less

  11. In situ study of the magnetoelectrolysis phenomenon during copper electrodeposition using time domain NMR relaxometry.

    PubMed

    Gomes, Bruna Ferreira; Nunes, Luiza Maria Silva; Lobo, Carlos Manuel Silva; Cabeça, Luís Fernando; Colnago, Luiz Alberto

    2014-10-01

    Although the effect of magnetic field (B) on electrochemical reactions (magnetoelectrolysis phenomenon) has been long known, it has not been considered in electrochemical reactions analyzed in situ by magnetic resonance methods, such as nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and magnetic resonance imaging (MRI), which are intrinsically performed in the presence of B. In this report, the effect of B on the copper electrodeposition reaction, measured by a low-field (0.23 T) NMR spectrometer, was demonstrated. As expected, an enhancement in the reaction rate in comparison to the ex situ electrodeposition reaction was observed. Such enhancement was not dependent on electrodes/magnetic field orientations. Parallel and perpendicular orientations showed similar electrodeposition rates, which is explained by the cyclotron flows generated by distortions in electric and magnetic field lines near the electrode and the electrode edge. Therefore, NMR spectroscopy is not a passive analytical method, as assumed in preceding in situ spectroelectrochemical studies. Although the magnetoelectrolysis phenomenon demonstrated in this report used a paramagnetic ion, it can also be observed for diamagnetic species, since the magnetoelectrolysis phenomenon is independent of the nature of the species. Consequently, similar convection effects may occur in other electrochemical nuclear magnetic resonance (EC-NMR) experiments, such as the electrochemical reaction of organic molecules, as well as in electrocatalysis/fuel cells, lithium-ion batteries, and experiments that use electrochemical electron paramagnetic resonance (EC-EPR) and electrochemical magnetic resonance imaging (EC-MRI). PMID:25162751

  12. An in situ approach to study trace element partitioning in the laser heated diamond anvil cell

    SciTech Connect

    Petitgirard, S.; Mezouar, M.; Borchert, M.; Appel, K.; Liermann, H.-P.; Andrault, D.

    2012-01-15

    Data on partitioning behavior of elements between different phases at in situ conditions are crucial for the understanding of element mobility especially for geochemical studies. Here, we present results of in situ partitioning of trace elements (Zr, Pd, and Ru) between silicate and iron melts, up to 50 GPa and 4200 K, using a modified laser heated diamond anvil cell (DAC). This new experimental set up allows simultaneous collection of x-ray fluorescence (XRF) and x-ray diffraction (XRD) data as a function of time using the high pressure beamline ID27 (ESRF, France). The technique enables the simultaneous detection of sample melting based to the appearance of diffuse scattering in the XRD pattern, characteristic of the structure factor of liquids, and measurements of elemental partitioning of the sample using XRF, before, during and after laser heating in the DAC. We were able to detect elements concentrations as low as a few ppm level (2-5 ppm) on standard solutions. In situ measurements are complimented by mapping of the chemical partitions of the trace elements after laser heating on the quenched samples to constrain the partitioning data. Our first results indicate a strong partitioning of Pd and Ru into the metallic phase, while Zr remains clearly incompatible with iron. This novel approach extends the pressure and temperature range of partitioning experiments derived from quenched samples from the large volume presses and could bring new insight to the early history of Earth.

  13. Applications of Isotopes in Advancing Structural & Functional Heparanomics

    PubMed Central

    Tran, Vy M.; Nu Nguyen, Thao Kim; Raman, Karthik; Kuberan, Balagurunathan

    2011-01-01

    Heparanomics is the study of all the biologically active oligosaccharide domain structures in the entire heparanome and the nature of interactions among these domains and their protein ligands. Structural elucidation of heparan sulfate and heparin oligosaccharides is a major obstacle in advancing structure-function relationships and the study of heparanomics. There are several factors that exacerbate challenges involved in the structural elucidation of heparin and heparan sulfate. Therefore, there is a great interest in developing novel strategies and analytical tools to overcome the barriers in decoding the enigmatic heparanome. This review article focuses on the applications of isotopes, both radioisotopes and stable isotopes, in the structural elucidation of the complex heparanome at the disaccharide or oligosaccharide level using liquid chromatography, nuclear magnetic resonance spectroscopy and mass spectrometry. This review article also outlines the utility of isotopes in determining the substrate specificity of biosynthetic enzymes that eventually dictate the emergence of biologically active oligosaccharides. PMID:20838780

  14. In-situ x-ray absorption study of copper films in ground watersolutions

    SciTech Connect

    Kvashnina, K.O.; Butorin, S.M.; Modin, A.; Soroka, I.; Marcellini, M.; Nordgren, J.; Guo, J.-H.; Werme, L.

    2007-10-29

    This study illustrates how the damage from copper corrosion can be reduced by modifying the chemistry of the copper surface environment. The surface modification of oxidized copper films induced by chemical reaction with Cl{sup -} and HCO{sub 3}{sup -} in aqueous solutions was monitored by in situ X-ray absorption spectroscopy. The results show that corrosion of copper can be significantly reduced by adding even a small amount of sodium bicarbonate. The studied copper films corroded quickly in chloride solutions, whereas the same solution containing 1.1 mM HCO{sub 3}{sup -} prevented or slowed down the corrosion processes.

  15. In situ high temperature crystallization study of sputter deposited amorphous W-Fe-C films

    SciTech Connect

    Trindade, B.; Vieira, M.T. . Dept. de Engenharia Mecanica); Grosse, E.B. . Lab. de Sciences et Genie des Surfaces)

    1995-01-01

    The structural behavior of amorphous W[sub 46]Fe[sub 13]C[sub 41] and W[sub 36]Fe[sub 31]C[sub 33] films produced by sputtering have been studied in situ during annealing up to [approximately] 950 C by means of hot stage transmission electron microscopy. Differential thermal analysis and X-ray diffraction were used as complementary experimental techniques. The results are presented and correlated with the equilibrium phases anticipated from the W-Fe-C ternary phase diagram and with previous studied on similar films deposited and annealed onto substrates.

  16. Electro-deposition of Cu studied with in situ electrochemical scanning transmission x-ray microscopy

    NASA Astrophysics Data System (ADS)

    Hitchcock, A. P.; Qin, Z.; Rosendahl, S. M.; Lee, V.; Reynolds, M.; Hosseinkhannazer, H.

    2016-01-01

    Soft X-ray scanning transmission X-ray microscopy (STXM) was used to investigate Cu deposition onto, and stripping from a Au surface. Cu 2p spectromicroscopy was used to analyze initial and final states (ex situ processing) and follow the processes in situ. The in situ experiments were carried out using a static electrochemical cell with an electrolyte layer thickness of ˜1 μm. A new apparatus for in situ electrochemical STXM is described.

  17. In situ study of atomic layer deposition Al2O3 on GaP (100)

    NASA Astrophysics Data System (ADS)

    Dong, H.; Brennan, B.; Qin, X.; Zhernokletov, D. M.; Hinkle, C. L.; Kim, J.; Wallace, R. M.

    2013-09-01

    The interfacial chemistry of atomic layer deposition (ALD) of Al2O3 on chemically treated GaP (100) has been studied using in situ X-ray photoelectron spectroscopy. A "self-cleaning" effect for Ga-oxide upon exposure to trimethylaluminum is seen to be efficient on the native oxide and chemically treated surfaces. The phosphorus oxide chemical states are seen to change during the ALD process, but the total concentration of P-oxides is seen to remain constant throughout the ALD process.

  18. XAFS characterization of industrial catalysts: in situ study of phase transformation of nickel sulfide

    NASA Astrophysics Data System (ADS)

    Wang, J.; Jia, Z.; Wang, Q.; Zhao, S.; Xu, Z.; Yang, W.; Frenkel, A. I.

    2016-05-01

    The online sulfiding process for nickel-contained catalyst often ends up with a nickel sulfide mixture in refinery plant. To elucidate the local environment of nickel and its corresponding sulfur species, a model catalyst (nickel sulfide) and model thermal process were employed to explore the possibilities for characterization of real catalysts in industrial conditions. The present investigation shows effectiveness of in situ XANES and EXAFS measurements for studying the phase stability and phase composition in these systems, which could be used to simulate real sulfiding process in industrial reactions, such as hydrodesulfurizations of oil.

  19. Combined in-situ dilatometer and contact angle studies of interfacial reaction kinetics in brazing.

    SciTech Connect

    Dave, V. R.; Javernick, D. A.; Thoma, D. J.; Cola, M. J.; Hollis, K. J.; Smith, F. M.; Dauelsberg, L. B.

    2001-01-01

    Multi-component dissimilar material braze joints as shown in Figure 1 consisting of dissimilar base materials, filler materials and wetting agents are of tantamount importance in a wide variely of applications. This work combines dilatometry and contact angle measurements to characterize in-situ the multiple interfacial reaction pathways that occur in such systems. Whereas both of these methods are commonly used tools in metallurgical investigation, their combined use within the context of brazing studies is new and offers considerable additional insight. Applications are discussed to joints made between Beryllium and Monel with TiH{sub 2} as the wetting agent and Cu-28%Ag as the filler material.

  20. Application of in-situ bioassays with macrophytes in aquatic mesocosm studies.

    PubMed

    Coors, Anja; Kuckelkorn, Jochen; Hammers-Wirtz, Monika; Strauss, Tido

    2006-10-01

    Aquatic mesocosm studies assess ecotoxicological effects of chemicals by using small artificial ponds as models of lentic ecosystems. In this study, methods of controlled insertion of macrophytes within an outdoor mesocosm study were explored. Although analytically confirmed concentrations of the model herbicide terbuthylazine were high enough to expect direct effects on phytoplankton, functional parameters and dominant taxa abundance indicated only minor and transient effects. In-situ assays with Lemna minor, Myriophyllum spicatum, Potamogeton lucens and Chara globularis revealed adverse effects at concentrations in accordance with literature data. Complex interactions such as nutrient limitation and competition were possible reasons for the observed growth promotion at the lower concentration of about 5 microg/l terbuthylazine. The approach of macrophyte in-situ bioassays within a mesocosm study proved to be applicable. Presumed advantages are simultaneous acquisition of toxicity data for several species of aquatic plants under more realistic conditions compared to laboratory tests and inclusion of macrophytes as important structural and functional components in mesocosms while limiting their domination of the model ecosystem. PMID:16960660

  1. Oxidation Induced Doping of Nanoparticles Revealed by in Situ X-ray Absorption Studies.

    PubMed

    Kwon, Soon Gu; Chattopadhyay, Soma; Koo, Bonil; Dos Santos Claro, Paula Cecilia; Shibata, Tomohiro; Requejo, Félix G; Giovanetti, Lisandro J; Liu, Yuzi; Johnson, Christopher; Prakapenka, Vitali; Lee, Byeongdu; Shevchenko, Elena V

    2016-06-01

    Doping is a well-known approach to modulate the electronic and optical properties of nanoparticles (NPs). However, doping at nanoscale is still very challenging, and the reasons for that are not well understood. We studied the formation and doping process of iron and iron oxide NPs in real time by in situ synchrotron X-ray absorption spectroscopy. Our study revealed that the mass flow of the iron triggered by oxidation is responsible for the internalization of the dopant (molybdenum) adsorbed at the surface of the host iron NPs. The oxidation induced doping allows controlling the doping levels by varying the amount of dopant precursor. Our in situ studies also revealed that the dopant precursor substantially changes the reaction kinetics of formation of iron and iron oxide NPs. Thus, in the presence of dopant precursor we observed significantly faster decomposition rate of iron precursors and substantially higher stability of iron NPs against oxidation. The same doping mechanism and higher stability of host metal NPs against oxidation was observed for cobalt-based systems. Since the internalization of the adsorbed dopant at the surface of the host NPs is driven by the mass transport of the host, this mechanism can be potentially applied to introduce dopants into different oxidized forms of metal and metal alloy NPs providing the extra degree of compositional control in material design. PMID:27152970

  2. In Situ Synchrotron X-ray Study of Ultrasound Cavitation and Its Effect on Solidification Microstructures

    NASA Astrophysics Data System (ADS)

    Mi, Jiawei; Tan, Dongyue; Lee, Tung Lik

    2015-08-01

    Considerable progress has been made in studying the mechanism and effectiveness of using ultrasound waves to manipulate the solidification microstructures of metallic alloys. However, uncertainties remain in both the underlying physics of how microstructures evolve under ultrasonic waves, and the best technological approach to control the final microstructures and properties. We used the ultrafast synchrotron X-ray phase contrast imaging facility housed at the Advanced Photon Source, Argonne National Laboratory, US to study in situ the highly transient and dynamic interactions between the liquid metal and ultrasonic waves/bubbles. The dynamics of ultrasonic bubbles in liquid metal and their interactions with the solidifying phases in a transparent alloy were captured in situ. The experiments were complemented by the simulations of the acoustic pressure field, the pulsing of the bubbles, and the associated forces acting onto the solidifying dendrites. The study provides more quantitative understanding on how ultrasonic waves/bubbles influence the growth of dendritic grains and promote the grain multiplication effect for grain refinement.

  3. Quantification of cuttlefish (Sepia officinalis) camouflage: a study of color and luminance using in situ spectrometry.

    PubMed

    Akkaynak, Derya; Allen, Justine J; Mäthger, Lydia M; Chiao, Chuan-Chin; Hanlon, Roger T

    2013-03-01

    Cephalopods are renowned for their ability to adaptively camouflage on diverse backgrounds. Sepia officinalis camouflage body patterns have been characterized spectrally in the laboratory but not in the field due to the challenges of dynamic natural light fields and the difficulty of using spectrophotometric instruments underwater. To assess cuttlefish color match in their natural habitats, we studied the spectral properties of S. officinalis and their backgrounds on the Aegean coast of Turkey using point-by-point in situ spectrometry. Fifteen spectrometry datasets were collected from seven cuttlefish; radiance spectra from animal body components and surrounding substrates were measured at depths shallower than 5 m. We quantified luminance and color contrast of cuttlefish components and background substrates in the eyes of hypothetical di- and trichromatic fish predators. Additionally, we converted radiance spectra to sRGB color space to simulate their in situ appearance to a human observer. Within the range of natural colors at our study site, cuttlefish closely matched the substrate spectra in a variety of body patterns. Theoretical calculations showed that this effect might be more pronounced at greater depths. We also showed that a non-biological method ("Spectral Angle Mapper"), commonly used for spectral shape similarity assessment in the field of remote sensing, shows moderate correlation to biological measures of color contrast. This performance is comparable to that of a traditional measure of spectral shape similarity, hue and chroma. This study is among the first to quantify color matching of camouflaged cuttlefish in the wild.

  4. Regge Behavior of DIS Structure Functions

    SciTech Connect

    Franz Gross; I. V. Musatov; Yu.A.Simonov

    2004-02-01

    Building on previous works of the mid 1960's, we construct an integral equation for forward elastic scattering (t=0) at arbitrary virtuality Q{sup 2} and large s=W{sup 2}. This equation sums the ladder production of massless intermediate bosons to all orders, and the solution exhibits Regge behavior. The equation is used to study scattering in a simple {chi} {yields} {chi}{phi} scalar theory, where it is solved approximately and applied to the study of DIS at small x. We find that the model can naturally describe the quark distribution in both the large x region and the small x region dominated by Reggeon exchange.

  5. In Situ X-ray Diffraction Studies of Cathode Materials in Lithium Batteries

    SciTech Connect

    Yang, X. Q.; Sun, X.; McBreen, J.; Mukerjee, S.; Gao, Yuan; Yakovleva, M. V.; Xing, X. K.; Daroux, M. L.

    1998-11-01

    There is an increasing interest in lithiated transition metal oxides because of their use as cathodes in lithium batteries. LiCoO{sub 2}, LiNiO{sub 2} and LiMn{sub 2}O{sub 4} are the three most widely used and studied materials, At present, although it is relative expensive and toxic, LiCoO{sub 2} is the material of choice in commercial lithium ion batteries because of its ease of manufacture, better thermal stability and cycle life. However, the potential use of lithium ion batteries with larger capacity for power tools and electric vehicles in the future will demand new cathode materials with higher energy density, lower cost and better thermal stability. LiNiO{sub 2} is isostructural with LiCoO{sub 2}. It offers lower cost and high energy density than LiCoO{sub 2}. However, it has much poorer thermal stability than LiCoO{sub 2}, in the charged (delithiated) state. Co, Al, and other elements have been used to partially replace Ni in LiNiO{sub 2} system in order to increase the thermal stability. LiMn{sub 2}O{sub 4} has the highest thermal stability and lowest cost and toxicity. However, the low energy density and poor cycle life at elevated temperature are the major obstacles for this material. In order to develop safer, cheaper, and better performance cathode materials, the in-depth understanding of the relationships between the thermal stability and structure, performance and structure are very important. The performance here includes energy density and cycle life of the cathode materials. X-ray diffraction (XRD) is one of the most powerful tools to study these relationships. The pioneer ex situ XRD work on cathode materials for lithium batteries was done by Ohzuku. His XRD studies on LiMn{sub 2}O{sub 4}, LiCoO{sub 2}, LiNiO{sub 2}, LiNi{sub 0.5}Co{sub 0.5}O{sub 2}, and LiAl{sub x}Ni{sub 1-x}O{sub 2} cathodes at different states of charge have provided important guidelines for the development of these new materials. However, the kinetic nature of the battery

  6. Extracting Neutron Structure Functions in the Resonance Region

    SciTech Connect

    Yonatan Kahn

    2009-07-01

    A new iterative method is presented for extracting neutron structure functions from inclusive structure functions of nuclei, focusing specifically on the resonance region. Unlike earlier approaches, this method is applicable to both spin-averaged and spin-dependent structure functions. We show that in numerical tests, this method is able to reproduce known input functions of nearly arbitrary shape after only 5–10 iterations. We illustrate the method on extractions of F2n and g1,2n from data, and discuss the treatment of systematic errors from this extraction procedure.

  7. Transmission Electron Microscopy Study of Graphite under in situ Ion Irradiation

    NASA Astrophysics Data System (ADS)

    Hinks, J. A.; Jones, A. N.; Theodosiou, A.; van den Berg, J. A.; Donnelly, S. E.

    2012-07-01

    Graphite is employed as a moderator and structural component in 18 of the UK's fleet of Magnox and Advanced Gas-cooled Reactors (AGRs). During the operational lifetime of a reactor, graphite undergoes complex physical and mechanical property changes including dimensional modification, owing to the effects of temperature, oxidation and irradiation-induced atomic displacements. In order to safely extend the lifetime of the current fleet of AGRs, and also to develop materials for GenIV concepts such as the Very-High-Temperature Reactor (VHTR), it is important to gain a better understanding of the fundamental atomic processes which underpin the behaviour of graphite under current and future operational conditions. This study has focused on the effects of temperature and displacing radiation on the evolution of Mrozowski cracks in highly-orientated pyrolytic graphite (HOPG) using the new Microscope and Ion Accelerator for Materials Investigations (MIAMI) facility. This instrument allows transmission electron microscopy to be performed in situ whilst simultaneously ion irradiating to radiation damage levels typically reached in a reactor. By using this technique, it is possible to explore the development of radiation damage under a range of different conditions continuously from start-to-finish rather than just observing the end-states accessible in ex situ studies.

  8. Studies of ferroelectric heterostructure thin films and interfaces via in situ analytical techniques.

    SciTech Connect

    Auciello, O.; Dhote, A.; Gao, Y.; Gruen, D. M.; Im, J.; Irene, E. A.; Krauss, A. R.; Mueller, A. H.; Ramesh, R.

    1999-08-30

    The science and technology of ferroelectric thin films has experienced an explosive development during the last ten years. Low-density non-volatile ferroelectric random access memories (NVFRAMs) are now incorporated in commercial products such as ''smart cards'', while high permittivity capacitors are incorporated in cellular phones. However, substantial work is still needed to develop materials integration strategies for high-density memories. We have demonstrated that the implementation of complementary in situ characterization techniques is critical to understand film growth and interface processes, which play critical roles in film microstructure and properties. We are using uniquely integrated time of flight ion scattering and recoil spectroscopy (TOF-ISARS) and spectroscopic ellipsometry (SE) techniques to perform in situ, real-time studies of film growth processes in the high background gas pressure required to growth ferroelectric thin films. TOF-ISARS provides information on surface processes, while SE permits the investigation of buried interfaces as they are being formed. Recent studies on SrBi{sub 2}Ta{sub 2}O{sub 9} (SBT) and Ba{sub x}Sr{sub 1{minus}x}TiO{sub 3} (BST) film growth and interface processes are discussed.

  9. In-situ Study of Nanostructure and Electrical Resistance of Nanocluster Films Irradiated with Ion Beams

    SciTech Connect

    Jiang, Weilin; Sundararajan, Jennifer A.; Varga, Tamas; Bowden, Mark E.; Qiang, You; McCloy, John S.; Henager, Charles H.; Montgomery, Robert O.

    2014-08-11

    An in-situ study is reported on the structural evolution in nanocluster films under He+ ion irradiation using an advanced helium ion microscope. The films consist of loosely interconnected nanoclusters of magnetite or iron-magnetite (Fe-Fe3O4) core-shells. The nanostructure is observed to undergo dramatic changes under ion-beam irradiation, featuring grain growth, phase transition, particle aggregation, and formation of nanowire-like network and nano-pores. Studies based on ion irradiation, thermal annealing and election irradiation have indicated that the major structural evolution is activated by elastic nuclear collisions, while both electronic and thermal processes can play a significant role once the evolution starts. The electrical resistance of the Fe-Fe3O4 films measured in situ exhibits a super-exponential decay with dose. The behavior suggests that the nanocluster films possess an intrinsic merit for development of an advanced online monitor for neutron radiation with both high detection sensitivity and long-term applicability, which can enhance safety measures in many nuclear operations.

  10. In situ hybridization method for studies of cell wall deficient M. paratuberculosis in tissue samples.

    PubMed

    Hulten, K; Karttunen, T J; El-Zimaity, H M; Naser, S A; Almashhrawi, A; Graham, D Y; El-Zaatari, F A

    2000-12-20

    Cell wall deficient forms of mycobacteria may be important in the pathogenesis of Crohn's disease and sarcoidosis. However, no method has been available to localize this type of organisms in tissue sections. We developed an in situ hybridization method for the demonstration of Mycobacterium paratuberculosis spheroplasts (cell wall deficient forms) in paraffin embedded tissue sections.M. paratuberculosis spheroplasts were prepared by treatment with glycine and lysozyme. Pieces of beef were injected with the prepared spheroplasts. The samples were fixed in buffered formalin and paraffin embedded. A M. paratuberculosis-specific probe derived from the IS900 gene was used. Specificity was controlled by using an irrelevant probe and by hybridizing sections with spheroplasts from other bacteria. Beef samples injected with M. paratuberculosis spheroplasts were the only samples that hybridized with the probe. Beef samples containing acid-fast or spheroplast forms of M. smegmatis and M. tuberculosis as well as the acid-fast forms of M. paratuberculosis did not hybridize with the probe. Unrelated bacterial controls, i.e. Helicobacter pylori and Escherichia coli were also negative in the assay. In situ hybridization with the IS900 probe provides a specific way to localize M. paratuberculosis spheroplasts in tissue sections and may be useful for studies of the connection between M. paratuberculosis and Crohn's disease and sarcoidosis. The assay may also be valuable for studies on Johne's diseased animals. PMID:11118736

  11. Guar gum coupled microscale ZVI for in situ treatment of CAHs: continuous-flow column study.

    PubMed

    Velimirovic, Milica; Simons, Queenie; Bastiaens, Leen

    2014-01-30

    A column study was performed under in situ conditions to evaluate to which extend the inactivation of the microscale zerovalent iron (mZVI) by guar gum occurs under continuous flow conditions. Five aquifer containing columns were set up under different conditions. Efficient removal of trichloroethene was observed for the column amended by mZVI. Stabilization of the mZVI with guar gum led to slightly reduced activity. More reduced reactivity was observed in the poisoned column containing guar gum stabilized mZVI. This confirms that soil microorganisms can degrade guar gum and that subsequent removal of the oligosaccharides by the groundwater flow (flushing effect) can reactivate the mZVI. After more than six months of continuous operation the columns were dismantled. DNA-based qPCR analysis revealed that mZVI does not significantly affect the bacterial community, while guar gum stabilized mZVI particles can even induce bacterial growth. Overall, this study suggests that the temporarily decreased mZVI reactivity due to guar gum, has a rather limited impact on the performance of in situ reactive zones. The presence of guar gum slightly reduced the reactivity of iron, but also slowed down the iron corrosion rate which prolongs the life time of reactive zone.

  12. In situ treatment of arsenic contaminated groundwater by aquifer iron coating: Experimental study.

    PubMed

    Xie, Xianjun; Wang, Yanxin; Pi, Kunfu; Liu, Chongxuan; Li, Junxia; Liu, Yaqing; Wang, Zhiqiang; Duan, Mengyu

    2015-09-15

    In situ arsenic removal from groundwater by an aquifer iron coating method has great potential to be a cost effective and simple groundwater remediation technology, especially in rural and remote areas where groundwater is used as the main water source for drinking. The in situ arsenic removal technology was first optimized by simulating arsenic removal in various quartz sand columns under anoxic conditions. The effectiveness was then evaluated in an actual high-arsenic groundwater environment. The arsenic removal mechanism by the coated iron oxide/hydroxide was investigated under different conditions using scanning electron microscopy (SEM)/X-ray absorption spectroscopy, electron probe microanalysis, and Fourier transformation infrared spectroscopy. Aquifer iron coating method was developed via a 4-step alternating injection of oxidant, iron salt and oxygen-free water. A continuous injection of 5.0 mmol/L FeSO4 and 2.5 mmol/L NaClO for 96 h can form a uniform goethite coating on the surface of quartz sand without causing clogging. At a flow rate of 7.2 mL/min of the injection reagents, arsenic (as Na2HAsO4) and tracer fluorescein sodium to pass through the iron-coated quartz sand column were approximately at 126 and 7 column pore volumes, respectively. The retardation factor of arsenic was 23.0, and the adsorption capacity was 0.11 mol As per mol Fe. In situ arsenic removal from groundwater in an aquifer was achieved by simultaneous injections of As(V) and Fe(II) reagents. Arsenic fixation resulted from a process of adsorption/co-precipitation with fine goethite particles by way of bidentate binuclear complexes. Therefore, the study results indicate that the high arsenic removal efficiency of the in situ aquifer iron coating technology likely resulted from the expanded specific surface area of the small goethite particles, which enhanced arsenic sorption capability and/or from co-precipitation of arsenic on the surface of goethite particles.

  13. Structure, function and regulation of pyruvate carboxylase.

    PubMed Central

    Jitrapakdee, S; Wallace, J C

    1999-01-01

    Pyruvate carboxylase (PC; EC 6.4.1.1), a member of the biotin-dependent enzyme family, catalyses the ATP-dependent carboxylation of pyruvate to oxaloacetate. PC has been found in a wide variety of prokaryotes and eukaryotes. In mammals, PC plays a crucial role in gluconeogenesis and lipogenesis, in the biosynthesis of neurotransmitter substances, and in glucose-induced insulin secretion by pancreatic islets. The reaction catalysed by PC and the physical properties of the enzyme have been studied extensively. Although no high-resolution three-dimensional structure has yet been determined by X-ray crystallography, structural studies of PC have been conducted by electron microscopy, by limited proteolysis, and by cloning and sequencing of genes and cDNA encoding the enzyme. Most well characterized forms of active PC consist of four identical subunits arranged in a tetrahedron-like structure. Each subunit contains three functional domains: the biotin carboxylation domain, the transcarboxylation domain and the biotin carboxyl carrier domain. Different physiological conditions, including diabetes, hyperthyroidism, genetic obesity and postnatal development, increase the level of PC expression through transcriptional and translational mechanisms, whereas insulin inhibits PC expression. Glucocorticoids, glucagon and catecholamines cause an increase in PC activity or in the rate of pyruvate carboxylation in the short term. Molecular defects of PC in humans have recently been associated with four point mutations within the structural region of the PC gene, namely Val145-->Ala, Arg451-->Cys, Ala610-->Thr and Met743-->Thr. PMID:10229653

  14. In situ nanoindentation study on plasticity and work hardening in aluminium with incoherent twin boundaries.

    PubMed

    Bufford, D; Liu, Y; Wang, J; Wang, H; Zhang, X

    2014-01-01

    Nanotwinned metals have been the focus of intense research recently, as twin boundaries may greatly enhance mechanical strength, while maintaining good ductility, electrical conductivity and thermal stability. Most prior studies have focused on low stacking-fault energy nanotwinned metals with coherent twin boundaries. In contrast, the plasticity of twinned high stacking-fault energy metals, such as aluminium with incoherent twin boundaries, has not been investigated. Here we report high work hardening capacity and plasticity in highly twinned aluminium containing abundant Σ3{112} incoherent twin boundaries based on in situ nanoindentation studies in a transmission electron microscope and corresponding molecular dynamics simulations. The simulations also reveal drastic differences in deformation mechanisms between nanotwinned copper and twinned aluminium ascribed to stacking-fault energy controlled dislocation-incoherent twin boundary interactions. This study provides new insight into incoherent twin boundary-dominated plasticity in high stacking-fault energy twinned metals. PMID:25204688

  15. Structure, function, and regulation of adrenergic receptors.

    PubMed Central

    Strosberg, A. D.

    1993-01-01

    Adrenergic receptors for adrenaline and noradrenaline belong to the large multigenic family of receptors coupled to GTP-binding proteins. Three pharmacologic types have been identified: alpha 1-, alpha 2-, and beta-adrenergic receptors. Each of these has three subtypes, characterized by both structural and functional differences. The alpha 2 and beta receptors are coupled negatively and positively, respectively, to adenylyl cyclase via Gi or Gs regulatory proteins, and the alpha 1 receptors modulate phospholipase C via the Go protein. Subtype expression is regulated at the level of the gene, the mRNA, and the protein through various transcriptional and postsynthetic mechanisms. Adrenergic receptors constitute, after rhodopsin, one of the best studied models for the other receptors coupled to G proteins that are likely to display similar structural and functional properties. PMID:8401205

  16. Models of Protocellular Structure, Function and Evolution

    NASA Technical Reports Server (NTRS)

    New, Michael H.; Pohorille, Andrew; Szostak, Jack W.; Keefe, Tony; Lanyi, Janos K.; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    In the absence of any record of protocells, the most direct way to test our understanding, of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction.

  17. The g2 Structure Function: An Experimental Overview

    SciTech Connect

    Slifer, Karl

    2009-08-01

    We will discuss recent results for the spin structure functions, with an emphasis on g2 . High precision g2 data allows for tests of the Burkhardt-Cottingham sum rule, and is needed to consistently evaluate higher twist effects.

  18. Overview of Unpolarized Structure Function Measurements at High x

    SciTech Connect

    Holt, Roy J.

    2011-09-21

    A motivation and overview for recent measurements of unpolarized structure functions for the nucleon will be presented. Particular attention will be given to new experiments aimed at providing new high-x data.

  19. In situ AFM study of interlayer spacing during anion intercalation into HOPG in aqueous electrolyte

    SciTech Connect

    Alliata, D.; Koetz, R.; Haas, O.; Siegenthaler, H.

    1999-11-23

    In the context of ion transfer batteries, highly oriented pyrolytic graphite (HOPG) was studied as a model in aqueous electrolytes to elucidate the mechanism of electrochemical intercalation into graphite. The local time-dependent dimensional changes of the host material occurring during the electrochemical intercalation processes were investigated on the nanometer scale. Atomic force microscopy (AFM), combined with cyclic voltammetry, was used as an in situ analytical tool during the intercalation of perchlorate and hydrogen sulfate ions into and their expulsion from the HOPG electrodes. For the first time, a reproducible, quantitative estimate of the interlayer spacing in HOPG with intercalated perchlorate and hydrogen sulfate ions could be obtained by in situ AFM measurements. The experimental values are in agreement with theoretical expectations, only for relatively low stacks of graphene layers. After formation of stage IV, HOPG expansion upon intercalation typically amounts to 32% when tens of layers are involved but to only 14% when thousands of layers are involved. Blister formation and more dramatic changes in morphology were observed, depending on the kind of electrolyte used, at higher levels of anion intercalation.

  20. Prioritising in situ conservation of crop resources: a case study of African cowpea (Vigna unguiculata).

    PubMed

    Moray, C; Game, E T; Maxted, N

    2014-06-17

    Conserving crop wild relatives (CWR) is critical for maintaining food security. However, CWR-focused conservation plans are lacking, and are often based on the entire genus, even though only a few taxa are useful for crop improvement. We used taxonomic and geographic prioritisation to identify the best locations for in situ conservation of the most important (priority) CWR, using African cowpea (Vigna unguiculata (L.) Walp.) as a case study. Cowpea is an important crop for subsistence farmers in sub-Saharan Africa, yet its CWR are under-collected, under-conserved and under-utilised in breeding. We identified the most efficient sites to focus in situ cowpea CWR conservation and assessed whether priority CWR would be adequately represented in a genus-based conservation plan. We also investigated whether priority cowpea CWR are likely to be found in existing conservation areas and in areas important for mammal conservation. The genus-based method captured most priority CWR, and the distributions of many priority CWR overlapped with established conservation reserves and targets. These results suggest that priority cowpea CWR can be conserved by building on conservation initiatives established for other species.

  1. Er:YAG laser irradiation to control the progression of enamel erosion: an in situ study.

    PubMed

    Scatolin, R S; Colucci, V; Lepri, T P; Alexandria, A K; Maia, L C; Galo, R; Borsatto, M C; Corona, S A M

    2015-07-01

    This in situ study evaluated the effect of Er:YAG laser irradiation in controlling the progression of enamel erosion-like lesions. Fifty-six enamel slabs (330 KHN ± 10 %) with one fourth of the surface covered with resin composite (control area) were submitted to initial erosion-like lesion formation with citric acid. The slabs were divided into two groups: irradiated with Er:YAG laser and non-irradiated. Fourteen volunteers used an intraoral palatal appliance containing two slabs, in two phases of 5 days each. During the intraoral phase, in a crossed-over design, half of the volunteers immersed the appliance in citric acid while the other half used deionized water, both for 5 min, three times per day. Enamel wear was determined by an optical 3D profilometer. ANOVA revealed that when deionized water was used as immersion solution during the intraoral phase, lower values of wear were showed when compared with the groups that were eroded with citric acid, whether irradiated or non-irradiated with Er:YAG laser. When erosion with citric acid was performed, Er:YAG laser was not able to reduce enamel wear. Small changes on enamel surface were observed when it was irradiated with Er:YAG laser. It may be concluded that Er:YAG laser irradiation did not reduce the progression of erosive lesions on enamel submitted to in situ erosion with citric acid.

  2. An experimental system for high temperature X-ray diffraction studies with in situ mechanical loading.

    PubMed

    Oswald, Benjamin B; Schuren, Jay C; Pagan, Darren C; Miller, Matthew P

    2013-03-01

    An experimental system with in situ thermomechanical loading has been developed to enable high energy synchrotron x-ray diffraction studies of crystalline materials. The system applies and maintains loads of up to 2250 N in uniaxial tension or compression at a frequency of up to 100 Hz. The furnace heats the specimen uniformly up to a maximum temperature of 1200 °C in a variety of atmospheres (oxidizing, inert, reducing) that, combined with in situ mechanical loading, can be used to mimic processing and operating conditions of engineering components. The loaded specimen is reoriented with respect to the incident beam of x-rays using two rotational axes to increase the number of crystal orientations interrogated. The system was used at the Cornell High Energy Synchrotron Source to conduct experiments on single crystal silicon and polycrystalline Low Solvus High Refractory nickel-based superalloy. The data from these experiments provide new insights into how stresses evolve at the crystal scale during thermomechanical loading and complement the development of high-fidelity material models. PMID:23556825

  3. In Situ Ambient Pressure X-ray Photoelectron Spectroscopy Studies of Lithium-Oxygen Redox Reactions

    PubMed Central

    Lu, Yi-Chun; Crumlin, Ethan J.; Veith, Gabriel M.; Harding, Jonathon R.; Mutoro, Eva; Baggetto, Loïc; Dudney, Nancy J.; Liu, Zhi; Shao-Horn, Yang

    2012-01-01

    The lack of fundamental understanding of the oxygen reduction and oxygen evolution in nonaqueous electrolytes significantly hinders the development of rechargeable lithium-air batteries. Here we employ a solid-state Li4+xTi5O12/LiPON/LixV2O5 cell and examine in situ the chemistry of Li-O2 reaction products on LixV2O5 as a function of applied voltage under ultra high vacuum (UHV) and at 500 mtorr of oxygen pressure using ambient pressure X-ray photoelectron spectroscopy (APXPS). Under UHV, lithium intercalated into LixV2O5 while molecular oxygen was reduced to form lithium peroxide on LixV2O5 in the presence of oxygen upon discharge. Interestingly, the oxidation of Li2O2 began at much lower overpotentials (~240 mV) than the charge overpotentials of conventional Li-O2 cells with aprotic electrolytes (~1000 mV). Our study provides the first evidence of reversible lithium peroxide formation and decomposition in situ on an oxide surface using a solid-state cell, and new insights into the reaction mechanism of Li-O2 chemistry. PMID:23056907

  4. In situ disinfection of sewage contaminated shallow groundwater: a feasibility study.

    PubMed

    Bailey, Morgan M; Cooper, William J; Grant, Stanley B

    2011-11-01

    Sewage-contaminated shallow groundwater is a potential cause of beach closures and water quality impairment in marine coastal communities. In this study we set out to evaluate the feasibility of several strategies for disinfecting sewage-contaminated shallow groundwater before it reaches the coastline. The disinfection rates of Escherichia coli (EC) and enterococci bacteria (ENT) were measured in mixtures of raw sewage and brackish shallow groundwater collected from a coastal community in southern California. Different disinfection strategies were explored, ranging from benign (aeration alone, and aeration with addition of brine) to aggressive (chemical disinfectants peracetic acid (PAA) or peroxymonosulfate (Oxone)). Aeration alone and aeration with brine did not significantly reduce the concentration of EC and ENT after 6 h of exposure, while 4-5 mg L(-1) of PAA or Oxone achieved >3 log reduction after 15 min of exposure. Oxone disinfection was more rapid at higher salinities, most likely due to the formation of secondary oxidants (e.g., bromine and chlorine) that make this disinfectant inappropriate for marine applications. Using a Lagrangian modeling framework, we identify several factors that could influence the performance of in-situ disinfection with PAA, including the potential for bacterial regrowth, and the non-linear dependence of disinfection rate upon the residence time of water in the shallow groundwater. The data and analysis presented in this paper provide a framework for evaluating the feasibility of in-situ disinfection of shallow groundwater, and elucidate several topics that warrant further investigation. PMID:21906774

  5. Prioritising in situ conservation of crop resources: a case study of African cowpea (Vigna unguiculata).

    PubMed

    Moray, C; Game, E T; Maxted, N

    2014-01-01

    Conserving crop wild relatives (CWR) is critical for maintaining food security. However, CWR-focused conservation plans are lacking, and are often based on the entire genus, even though only a few taxa are useful for crop improvement. We used taxonomic and geographic prioritisation to identify the best locations for in situ conservation of the most important (priority) CWR, using African cowpea (Vigna unguiculata (L.) Walp.) as a case study. Cowpea is an important crop for subsistence farmers in sub-Saharan Africa, yet its CWR are under-collected, under-conserved and under-utilised in breeding. We identified the most efficient sites to focus in situ cowpea CWR conservation and assessed whether priority CWR would be adequately represented in a genus-based conservation plan. We also investigated whether priority cowpea CWR are likely to be found in existing conservation areas and in areas important for mammal conservation. The genus-based method captured most priority CWR, and the distributions of many priority CWR overlapped with established conservation reserves and targets. These results suggest that priority cowpea CWR can be conserved by building on conservation initiatives established for other species. PMID:24936740

  6. An experimental system for high temperature X-ray diffraction studies with in situ mechanical loading

    PubMed Central

    Oswald, Benjamin B.; Schuren, Jay C.; Pagan, Darren C.; Miller, Matthew P.

    2013-01-01

    An experimental system with in situ thermomechanical loading has been developed to enable high energy synchrotron x-ray diffraction studies of crystalline materials. The system applies and maintains loads of up to 2250 N in uniaxial tension or compression at a frequency of up to 100 Hz. The furnace heats the specimen uniformly up to a maximum temperature of 1200 °C in a variety of atmospheres (oxidizing, inert, reducing) that, combined with in situ mechanical loading, can be used to mimic processing and operating conditions of engineering components. The loaded specimen is reoriented with respect to the incident beam of x-rays using two rotational axes to increase the number of crystal orientations interrogated. The system was used at the Cornell High Energy Synchrotron Source to conduct experiments on single crystal silicon and polycrystalline Low Solvus High Refractory nickel-based superalloy. The data from these experiments provide new insights into how stresses evolve at the crystal scale during thermomechanical loading and complement the development of high-fidelity material models. PMID:23556825

  7. An experimental system for high temperature X-ray diffraction studies with in situ mechanical loading

    SciTech Connect

    Oswald, Benjamin B.; Pagan, Darren C.; Miller, Matthew P.; Schuren, Jay C.

    2013-03-15

    An experimental system with in situ thermomechanical loading has been developed to enable high energy synchrotron x-ray diffraction studies of crystalline materials. The system applies and maintains loads of up to 2250 N in uniaxial tension or compression at a frequency of up to 100 Hz. The furnace heats the specimen uniformly up to a maximum temperature of 1200 Degree-Sign C in a variety of atmospheres (oxidizing, inert, reducing) that, combined with in situ mechanical loading, can be used to mimic processing and operating conditions of engineering components. The loaded specimen is reoriented with respect to the incident beam of x-rays using two rotational axes to increase the number of crystal orientations interrogated. The system was used at the Cornell High Energy Synchrotron Source to conduct experiments on single crystal silicon and polycrystalline Low Solvus High Refractory nickel-based superalloy. The data from these experiments provide new insights into how stresses evolve at the crystal scale during thermomechanical loading and complement the development of high-fidelity material models.

  8. An experimental system for high temperature X-ray diffraction studies with in situ mechanical loading.

    PubMed

    Oswald, Benjamin B; Schuren, Jay C; Pagan, Darren C; Miller, Matthew P

    2013-03-01

    An experimental system with in situ thermomechanical loading has been developed to enable high energy synchrotron x-ray diffraction studies of crystalline materials. The system applies and maintains loads of up to 2250 N in uniaxial tension or compression at a frequency of up to 100 Hz. The furnace heats the specimen uniformly up to a maximum temperature of 1200 °C in a variety of atmospheres (oxidizing, inert, reducing) that, combined with in situ mechanical loading, can be used to mimic processing and operating conditions of engineering components. The loaded specimen is reoriented with respect to the incident beam of x-rays using two rotational axes to increase the number of crystal orientations interrogated. The system was used at the Cornell High Energy Synchrotron Source to conduct experiments on single crystal silicon and polycrystalline Low Solvus High Refractory nickel-based superalloy. The data from these experiments provide new insights into how stresses evolve at the crystal scale during thermomechanical loading and complement the development of high-fidelity material models.

  9. Chemometric Study of the Ex Situ Underground Coal Gasification Wastewater Experimental Data.

    PubMed

    Smoliński, Adam; Stańczyk, Krzysztof; Kapusta, Krzysztof; Howaniec, Natalia

    2012-11-01

    The main goal of the study was the analysis of the parameters of wastewater generated during the ex situ underground coal gasification (UCG) experiments on lignite from Belchatow, and hard coal from Ziemowit and Bobrek coal mines, simulated in the ex situ reactor. The UCG wastewater may pose a potential threat to the groundwater since it contains high concentrations of inorganic (i.e., ammonia nitrogen, nitrites, chlorides, free and bound cyanides, sulfates and trace elements: As, B, Cr, Zn, Al, Cd, Co, Mn, Cu, Mo, Ni, Pb, Hg, Se, Ti, Fe) and organic (i.e., phenolics, benzene and their alkyl derivatives, and polycyclic aromatic hydrocarbons) contaminants. The principal component analysis and hierarchical clustering analysis enabled to effectively explore the similarities and dissimilarities between the samples generated in lignite and hard coal oxygen gasification process in terms of the amounts and concentrations of particular components. The total amount of wastewater produced in lignite gasification process was higher than the amount generated in hard coal gasification experiments. The lignite gasification wastewater was also characterized by the highest contents of acenaphthene, phenanthrene, anthracene, fluoranthene, and pyrene, whereas hard coal gasification wastewater was characterized by relatively higher concentrations of nitrites, As, Cr, Cu, benzene, toluene, xylene, benzo(a)anthracene, chrysene, benzo(b)fluoranthene, benzo(k)fluoranthene, and benzo(a)pyrene.

  10. The proteome: structure, function and evolution.

    PubMed

    Fleming, Keiran; Kelley, Lawrence A; Islam, Suhail A; MacCallum, Robert M; Muller, Arne; Pazos, Florencio; Sternberg, Michael J E

    2006-03-29

    This paper reports two studies to model the inter-relationships between protein sequence, structure and function. First, an automated pipeline to provide a structural annotation of proteomes in the major genomes is described. The results are stored in a database at Imperial College, London (3D-GENOMICS) that can be accessed at www.sbg.bio.ic.ac.uk. Analysis of the assignments to structural superfamilies provides evolutionary insights. 3D-GENOMICS is being integrated with related proteome annotation data at University College London and the European Bioinformatics Institute in a project known as e-protein (http://www.e-protein.org/). The second topic is motivated by the developments in structural genomics projects in which the structure of a protein is determined prior to knowledge of its function. We have developed a new approach PHUNCTIONER that uses the gene ontology (GO) classification to supervise the extraction of the sequence signal responsible for protein function from a structure-based sequence alignment. Using GO we can obtain profiles for a range of specificities described in the ontology. In the region of low sequence similarity (around 15%), our method is more accurate than assignment from the closest structural homologue. The method is also able to identify the specific residues associated with the function of the protein family.

  11. Small catalytic RNA: Structure, function and application

    SciTech Connect

    Monforte, J.A.

    1991-04-01

    We have utilized a combination of photochemical cross-linking techniques and site-directed mutagenesis to obtain secondary and tertiary structure information for the self-cleaving, self-ligating subsequence of RNA from the negative strand of Satellite Tobacco Ringspot Virus. We have found that the helical regions fold about a hinge to promoting four different possible tertiary interactions, creating a molecular of similar shape to a paperclip. A model suggesting that the paperclip'' and hammerhead'' RNAs share a similar three dimensional structure is proposed. We have used a self-cleaving RNA molecule related to a subsequence of plant viroids, a hammerhead,'' to study the length-dependent folding of RNA produced during transcription by RNA polymerase. We have used this method to determine the length of RNA sequestered within elongating E. coli and T7 RNA polymerase complexes. The data show that for E. coli RNA polymerase 12{plus minus}1 nucleotides are sequestered within the ternary complex, which is consistent with the presence of an RNA-DNA hybrid within the transcription bubble, as proposed by others. The result for T7 RNA polymerase differs from E. coli RNA polymerase, with only 10{plus minus}1 nucleotides sequestered within the ternary complex, setting a new upper limit for the minimum RNA-DNA required for a stable elongating complex. Comparisons between E. coli and T7 RNA polymerase are made. The relevance of the results to models or transcription termination, abortive initiation, and initiation to elongation mode transitions are discussed.

  12. Structure-function relations of human hemoglobins

    PubMed Central

    2006-01-01

    In 1949 Pauling and his associates showed that sickle cell hemoglobin (HbS) belonged to an abnormal molecular species. In 1958 Ingram, who used a two-dimensional system of electrophoresis and chromatography to break down the hemoglobin molecule into a mixture of smaller peptides, defined the molecular defect in HbS by showing that it differed from normal adult hemoglobin by only a single peptide. Since then, more than 200 variant and abnormal hemoglobins have been described. Furthermore, the construction of an atomic model of the hemoglobin molecule based on a high-resolution x-ray analysis by Dr. Max Perutz at Cambridge has permitted the study of the stereochemical part played by the amino acid residues, which were replaced, deleted, or added to in each of the hemoglobin variants. Some of the variants have been associated with clinical conditions. The demonstration of a molecular basis for a disease was a significant turning point in medicine. A new engineered hemoglobin derived from crocodile blood, with markedly reduced oxygen affinity and increased oxygen delivery to the tissues, points the way for future advances in medicine. PMID:17252042

  13. Islet Amyloid Polypeptide: Structure, Function, and Pathophysiology

    PubMed Central

    Akter, Rehana; Cao, Ping; Noor, Harris; Ridgway, Zachary; Tu, Ling-Hsien; Wang, Hui; Wong, Amy G.; Zhang, Xiaoxue; Abedini, Andisheh; Schmidt, Ann Marie; Raleigh, Daniel P.

    2016-01-01

    The hormone islet amyloid polypeptide (IAPP, or amylin) plays a role in glucose homeostasis but aggregates to form islet amyloid in type-2 diabetes. Islet amyloid formation contributes to β-cell dysfunction and death in the disease and to the failure of islet transplants. Recent work suggests a role for IAPP aggregation in cardiovascular complications of type-2 diabetes and hints at a possible role in type-1 diabetes. The mechanisms of IAPP amyloid formation in vivo or in vitro are not understood and the mechanisms of IAPP induced β-cell death are not fully defined. Activation of the inflammasome, defects in autophagy, ER stress, generation of reactive oxygen species, membrane disruption, and receptor mediated mechanisms have all been proposed to play a role. Open questions in the field include the relative importance of the various mechanisms of β-cell death, the relevance of reductionist biophysical studies to the situation in vivo, the molecular mechanism of amyloid formation in vitro and in vivo, the factors which trigger amyloid formation in type-2 diabetes, the potential role of IAPP in type-1 diabetes, the development of clinically relevant inhibitors of islet amyloidosis toxicity, and the design of soluble, bioactive variants of IAPP for use as adjuncts to insulin therapy. PMID:26649319

  14. Models of Protocellular Structure, Function and Evolution

    NASA Technical Reports Server (NTRS)

    New, Michael H.; Pohorille, Andrew; Szostak, Jack W.; Keefe, Tony; Lanyi, Janos K.

    2001-01-01

    In the absence of any record of protocells, the most direct way to test our understanding of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction. A mutagenic approach, in which the sequences of selected molecules are randomly altered, can yield further improvements in performance or alterations of specificities. Unfortunately, the catalytic potential of nucleic acids is rather limited. Proteins are more catalytically capable but cannot be directly amplified. In the new technique, this problem is circumvented by covalently linking each protein of the initial, diverse, pool to the RNA sequence that codes for it. Then, selection is performed on the proteins, but the nucleic acids are replicated. Additional information is contained in the original extended abstract.

  15. Spin-dependent structure functions for the proton and neutron

    NASA Astrophysics Data System (ADS)

    Schäfer, Andreas

    1988-07-01

    We present a phenomenological model for the spin-dependent structure functions g1(x) of the proton and neutron. The model is an extension of the one proposed by Carlitz and Kaur. We use improved unpolarized structure functions and include effects due to the mass difference between up and down quark and due to the mass difference between spin 1/2 and 3/2 baryons. Our results for the proton agree with the data.

  16. The nonsinglet structure function evolution by Laplace method

    SciTech Connect

    Boroun, G. R. E-mail: boroun@razi.ac.ir; Zarrin, S.

    2015-12-15

    We derive a general scheme for the evolution of the nonsinglet structure function at the leadingorder (LO) and next-to-leading-order (NLO) by using the Laplace-transform technique. Results for the nonsinglet structure function are compared with MSTW2008, GRV, and CKMT parameterizations and also EMC experimental data in the LO and NLO analysis. The results are in good agreement with the experimental data and other parameterizations in the low- and large-x regions.

  17. Small catalytic RNA: Structure, function and application

    SciTech Connect

    Monforte, J.A.

    1991-04-01

    We have utilized a combination of photochemical cross-linking techniques and site-directed mutagenesis to obtain secondary and tertiary structure information for the self-cleaving, self-ligating subsequence of RNA from the negative strand of Satellite Tobacco Ringspot Virus. We have found that the helical regions fold about a hinge to promoting four different possible tertiary interactions, creating a molecular of similar shape to a paperclip. A model suggesting that the ``paperclip`` and ``hammerhead`` RNAs share a similar three dimensional structure is proposed. We have used a self-cleaving RNA molecule related to a subsequence of plant viroids, a ``hammerhead,`` to study the length-dependent folding of RNA produced during transcription by RNA polymerase. We have used this method to determine the length of RNA sequestered within elongating E. coli and T7 RNA polymerase complexes. The data show that for E. coli RNA polymerase 12{plus_minus}1 nucleotides are sequestered within the ternary complex, which is consistent with the presence of an RNA-DNA hybrid within the transcription bubble, as proposed by others. The result for T7 RNA polymerase differs from E. coli RNA polymerase, with only 10{plus_minus}1 nucleotides sequestered within the ternary complex, setting a new upper limit for the minimum RNA-DNA required for a stable elongating complex. Comparisons between E. coli and T7 RNA polymerase are made. The relevance of the results to models or transcription termination, abortive initiation, and initiation to elongation mode transitions are discussed.

  18. Studies of in-situ calcium-based sorbents in advanced pressurized coal conversion systems

    SciTech Connect

    Katta, S.; Shires, P.J.; O'Donnell, J.J.

    1992-01-01

    The overall objective of the project is to obtain experimental data on the reactions of calcium-based sorbents in gasification systems and to evaluate or develop kinetic models applicable to the commercial design of such systems. Both air-blown coal gasification systems and second generation fluid bed combustion systems (partial gasification) will be investigated, as well as subsequent stabilization of the solid wastes (calcium sulfide/ash) produced. More specifically, the objectives are to: Develop data on kinetics of in-situ desulfurization reactions; study the effect of calcium on the kinetics of carbon conversion rate; study kinetics of oxidation of CaS to CaSO[sup 4]; Develop and identify viable techniques to stabilize CaS; and, carry out further development work on most promising method and determine its commercial economics.

  19. Studies of in-situ calcium-based sorbents in advanced pressurized coal conversion systems

    SciTech Connect

    Katta, S.; Shires, P.J.; O`Donnell, J.J.

    1992-11-01

    The overall objective of the project is to obtain experimental data on the reactions of calcium-based sorbents in gasification systems and to evaluate or develop kinetic models applicable to the commercial design of such systems. Both air-blown coal gasification systems and second generation fluid bed combustion systems (partial gasification) will be investigated, as well as subsequent stabilization of the solid wastes (calcium sulfide/ash) produced. More specifically, the objectives are to: Develop data on kinetics of in-situ desulfurization reactions; study the effect of calcium on the kinetics of carbon conversion rate; study kinetics of oxidation of CaS to CaSO{sup 4}; Develop and identify viable techniques to stabilize CaS; and, carry out further development work on most promising method and determine its commercial economics.

  20. In situ soil moisture coupled with extreme temperatures: A study based on the Oklahoma Mesonet

    NASA Astrophysics Data System (ADS)

    Ford, Trent W.; Quiring, Steven M.

    2014-07-01

    The relationship between the observed (in situ) soil moisture and the percent hot days (%HD) in Oklahoma is examined using quantile regression. Consistent with results from previous modeling studies and observational studies using precipitation deficits as proxy, soil moisture is found to most strongly impact air temperature in the upper quantile of the %HD distribution. The utility of soil moisture for forecasting extreme heat events in Oklahoma is also assessed. Our results show that %HD can be predicted with reasonable skill using soil moisture anomalies from the previous month. These soil moisture-based forecasts of extreme temperature events can be used to support public health and water resource planning and mitigation activities in the Southern Great Plain region of the United States.

  1. Manipulating the Assembly of Spray-Deposited Nanocolloids: In Situ Study and Monolayer Film Preparation.

    PubMed

    Zhang, Peng; Santoro, Gonzalo; Yu, Shun; Vayalil, Sarathlal K; Bommel, Sebastian; Roth, Stephan V

    2016-05-01

    Fabrication of nanoparticle arrays on a substrate is one of the most concerned aspects for manipulating assembly of nanoparticles and preparing functional nanocomposites. Here, we studied in situ the assembly kinetics of polystyrene nanocolloids by using grazing incidence small-angle X-ray scattering. The structure formation of the nanoparticle film is monitored during air-brush spraying, which provides a rapid and scalable preparation. By optimizing the substrate temperature, the dispersion of the nanocolloids can be tailored to prepare monolayer film. The success of the monolayer preparations is attributed to the fast solvent evaporation which inhibits the aggregation of the nanocolloids. The present study may open a new avenue for the manufacture-friendly preparation of well-dispersed nanoparticle thin films. PMID:27070283

  2. Study of SGD along the French Mediterranean coastline using airborne TIR images and in situ analyses

    NASA Astrophysics Data System (ADS)

    van Beek, Pieter; Stieglitz, Thomas; Souhaut, Marc

    2015-04-01

    Although submarine groundwater discharge (SGD) has been investigated in many places of the world, very few studies were conducted along the French coastline of the Mediterranean Sea. Almost no information is available on the fluxes of water and chemical elements associated with these SGD and on their potential impact on the geochemical cycling and ecosystems of the coastal zones. In this work, we combined the use of airborne thermal infrared (TIR) images with in situ analyses of salinity, temperature, radon and radium isotopes to study SGD at various sites along the French Mediterranean coastline and in coastal lagoons. These analyses allowed us to detect SGD sites and to quantify SGD fluxes (that include both the fluxes of fresh groundwater and recirculated seawater). In particular, we will show how the Ra isotopes determined in the La Palme lagoon were used to estimate i) the residence time of waters in the lagoon and ii) SGD fluxes.

  3. Study of atomic layer epitaxy of zinc oxide by in-situ quartz crystal microgravimetry

    NASA Astrophysics Data System (ADS)

    Yousfi, El Bekkaye; Fouache, Jacques; Lincot, Daniel

    2000-01-01

    The deposition of ZnO thin films by atomic layer epitaxy (ALE) from diethylzinc and water precursors is studied for the first time by an in-situ quartz crystal microbalance technique. Quantitative measurement of the growth with a resolution down to the monolayer level is demonstrated. Influence of temperature, pulse lengths and substrate characteristics has been studied. The site saturation regime (ALE window) is between 100°C and 160°C and corresponds to the growth of one (100) monolayer with possible effects of roughness and surface reconstruction. Effect of nucleation and coalescence has been clearly evidenced both on foreign substrates and more surprisingly on ZnO substrates depending of the duration of the rest period. The analysis of the mass variation during individual cycles raises some questions about the growth mechanism.

  4. Comparison between in situ and ex situ gamma measurements on land areas within a decommissioning nuclear site: a case study at Dounreay.

    PubMed

    Rostron, Peter D; Heathcote, John A; Ramsey, Michael H

    2014-09-01

    Measurements made in situ with gamma detectors and ex situ measurements of soil samples in a laboratory can have complementary roles in the assessment of radioactively contaminated land on decommissioning nuclear sites. Both in situ and ex situ methods were used to characterize (137)Cs contamination within an area at the Dounreay site in Scotland. The systematic difference (bias) between estimates of the mean activity concentration was found to be non-significant when in situ measurements were interpreted using a linear depth model, based on ex situ measurements made at two different depths. An established method of evaluating the random components of measurement uncertainty was used. The random component of analytical uncertainty in the in situ measurements, made in field conditions, was found to exceed that for the ex situ measurements, made in the controlled conditions of a laboratory. However, contamination by the target radionuclide was found to be heterogeneous over small spatial scales. This resulted in significantly higher levels of random sampling uncertainty in individual ex situ measurements. As in situ measurements are substantially less costly, a greater number of measurements can be made, which potentially reduces the uncertainty on the mean. Providing the depth profile of contaminants can be modelled with confidence, this can enable estimates of mean activity concentration over an averaging area to be made with lower overall uncertainties than are possible using ex situ methods. PMID:24938421

  5. Simultaneous infrared reflection absorption spectroscopy and quartz crystal microbalance measurements for in situ studies of the metal/atmosphere interface

    SciTech Connect

    Aastrup, T.; Leygraf, C.

    1997-09-01

    A new experimental setup for in situ studies of the metal/atmosphere interface has been developed based on simultaneous infrared reflection absorption spectroscopy (IRAS) and quartz crystal microbalance (QCM) measurements of a metal surface. It consists of an in situ chamber in which the metal can be exposed to a well-controlled atmosphere. Four external devices are connected to the in situ chamber; a Fourier transform infrared spectrometer with external optical compartments, a QCM sensor probe with a frequency counter, a corrosive air generator, and a corrosive air analyzing system. In order to demonstrate the capability of the IRAS/QCM setup, copper was exposed to purified air at 80% relative humidity and 25 C. Under these exposure conditions, the interface between copper and air consists of cuprous oxide and water physisorbed on the oxide. The kinetics of the cuprous oxide formation could be followed in situ with both techniques. The combined IRAS/QCM results show excellent agreement with previous combined IRAS and cathodic reduction measurements and with optical calculations of the IRAS response. Under these conditions, the detection limit in terms of an equivalent Cu{sub 2}O film thickness is 10 {angstrom} for IRAS in situ analysis and 2 {angstrom} for QCM in situ analysis, respectively.

  6. Structure-function investigations of bacterial photosynthetic reaction centers.

    PubMed

    Leonova, M M; Fufina, T Yu; Vasilieva, L G; Shuvalov, V A

    2011-12-01

    During photosynthesis light energy is converted into energy of chemical bonds through a series of electron and proton transfer reactions. Over the first ultrafast steps of photosynthesis that take place in the reaction center (RC) the quantum efficiency of the light energy transduction is nearly 100%. Compared to the plant and cyanobacterial photosystems, bacterial RCs are well studied and have relatively simple structure. Therefore they represent a useful model system both for manipulating of the electron transfer parameters to study detailed mechanisms of its separate steps as well as to investigate the common principles of the photosynthetic RC structure, function, and evolution. This review is focused on the research papers devoted to chemical and genetic modifications of the RCs of purple bacteria in order to study principles and mechanisms of their functioning. Investigations of the last two decades show that the maximal rates of the electron transfer reactions in the RC depend on a number of parameters. Chemical structure of the cofactors, distances between them, their relative orientation, and interactions to each other are of great importance for this process. By means of genetic and spectral methods, it was demonstrated that RC protein is also an essential factor affecting the efficiency of the photochemical charge separation. Finally, some of conservative water molecules found in RC not only contribute to stability of the protein structure, but are directly involved in the functioning of the complex.

  7. Multiphoton microscopy: an efficient tool for in-situ study of cultural heritage artifacts

    NASA Astrophysics Data System (ADS)

    Latour, Gaël.; Echard, Jean-Philippe; Didier, Marie; Schanne-Klein, Marie-Claire

    2013-05-01

    We present multimodal nonlinear optical imaging of historical artifacts by combining Two-Photon Excited Fluorescence (2PEF) and Second Harmonic Generation (SHG) microscopies. Three-dimensional (3D) non-contact laser-scanning imaging with micrometer resolution is performed without any preparation of the objects under study. 2PEF signals are emitted by a wide range of fluorophores such as pigments and binder, which can be discriminated thanks to their different emission spectral bands by using suitable spectral filters in the detection channel. SHG signals are specific for dense non-centrosymmetric organizations such as the crystalline cellulose within the wood cell walls. We also show that plaster particles exhibit SHG signals. These particles are bassanite crystals with a non-centrosymmetric crystalline structure, while the other types of calcium sulphates exhibit a centrosymmetric crystalline structure with no SHG signal. In our study, we first characterize model single-layered samples: wood, gelatin-based films containing plaster or cochineal lake and sandarac film containing cochineal lake. We then study multilayered coating systems on wood and show that multimodal nonlinear microscopy successfully reveals the 3D distribution of all components within the stratified sample. We also show that the fine structure of the wood can be assessed, even through a thick multilayered varnish coating. Finally, in situ multimodal nonlinear imaging is demonstrated in a historical violin. SHG/2PEF imaging thus appears as an efficient non-destructive and contactless 3D imaging technique for in situ investigation of historical coatings and more generally for wood characterization and coating analysis at micrometer scale.

  8. Advanced sample environments for in situ neutron diffraction studies of nuclear materials

    NASA Astrophysics Data System (ADS)

    Reiche, Helmut Matthias

    Generation IV nuclear reactor concepts, such as the supercritical-water-cooled nuclear reactor (SCWR), are actively researched internationally. Operating conditions above the critical point of water (374°C, 22.1 MPa) and fuel core temperature that potentially exceed 1850°C put a high demand on the surrounding materials. For their safe application, it is essential to characterize and understand the material properties on an atomic scale such as crystal structure and grain orientation (texture) changes as a function of temperature and stress. This permits the refinement of models predicting the macroscopic behavior of the material. Neutron diffraction is a powerful tool in characterizing such crystallographic properties due to their deep penetration depth into condensed matter. This leads to the ability to study bulk material properties, as opposed to surface effects, and allows for complex sample environments to study e.g. the individual contributions of thermo-mechanical processing steps during manufacturing, operating or accident scenarios. I present three sample environments for in situ neutron diffraction studies that provide such crystallographic information and have been successfully commissioned and integrated into the user program of the High Pressure -- Preferred Orientation (HIPPO) diffractometer at the Los Alamos Neutron Science Center (LANSCE) user facility. I adapted a sample changer for reliable and fast automated texture measurements of multiple specimens. I built a creep furnace combining a 2700 N load frame with a resistive vanadium furnace, capable of temperatures up to 1000°C, and manipulated by a pair of synchronized rotation stages. This combination allows following deformation and temperature dependent texture and strain evolutions in situ. Utilizing the presented sample changer and creep furnace we studied pressure tubes made of Zr-2.5wt%Nb currently employed in CANDURTM nuclear reactors and proposed for future SCWRs, acting as the primary

  9. In situ neutron scattering study of nanostructured PbTe-PbS bulk thermoelectric material

    SciTech Connect

    Ren, Fei; Schmidt, Robert D; Case, Eldon D; An, Ke

    2016-01-01

    Nanostructures play an important role in thermoelectric materials. Their thermal stability, such as phase change and evolution at elevated temperatures, is thus of great interest to the thermoelectric community. In this study, in situ neutron diffraction was used to examine the phase evolution of nanostructured bulk PbTe-PbS materials fabricated using hot pressing and pulsed electrical current sintering (PECS). The PbS second phase was observed in all samples in the as-pressed condition. The temperature dependent lattice parameter and phase composition data show an initial formation of PbS precipitates followed by a redissolution during heating. The redissolution process started around 570 600 K, and completed at approximately 780 K. During cooling, the PECS sample followed a reversible curve while the heating/cooling behavior of the hot pressed sample was irreversible.

  10. In situ Raman spectroscopic study of Al-infiltrated spider dragline silk under tensile deformation.

    PubMed

    Lee, Seung-Mo; Pippel, Eckhard; Moutanabbir, Oussama; Kim, Jae-Hyun; Lee, Hak-Joo; Knez, Mato

    2014-10-01

    Natural materials consisting of protein structures impregnated with a tiny amount of metals often exhibit impressive mechanical behavior, which represents a new design paradigm for the development of biomimetic materials. Here, we produced Al-infiltrated silks by applying a modified Al2O3 atomic layer deposition process to the dragline silk of the Nephila pilipes spider, which showed unusual mechanical properties. The deformation behavior of the molecular structure of the Al-infiltrated silk was investigated by performing in situ Raman spectroscopy, where Raman shifts were measured concurrently with macroscopic mechanical deformations. For identifying the role of the infiltrated Al atoms, the study was performed in parallel with untreated silk, and the results were compared. Our experimental results revealed that superior mechanical properties of the Al-infiltrated silk are likely to be caused by the alterations of the sizes of the β-sheet crystals and their distribution.

  11. Lifetime studies of security inks using a novel gonio-spectrometer with in situ aging capability

    NASA Astrophysics Data System (ADS)

    Emerich, Markus; Rosenberg, Erwin; Deinhammer, Harald; Paleczek, Susanne; Fajmann, Peter; Schwarzbach, Daniel

    2004-06-01

    The state of the art in manufacturing security documents includes the usage of a multitude of inks and pigments. The chemical and physical stability of these materials is a crucial point for their application in long lasting security products such as banknotes. For our studies regarding the bleaching characteristics of pigments and inks we have developed a highly integrated double beam gonio-spectrometer with in-situ ageing capability. The new spectrometer is equipped with a stabilized solar simulator lamp featuring a dosimeter, which is an advanced alternative to the commonly used blue wool scale. Additionally the sample temperature can be stabilized during ageing tests by a thermostatted sample holder. The instrument is capable of performing reflection measurements using monochromatic and polychromatic excitation and further allows fluorescence, phosphorescence and polarization measurements with high resolution over a wide wavelength range. We will present first results of defined ageing tests on a variety of security pigments and the setup of the newly developed spectrometer.

  12. In Situ Nanoindentation Studies on Detwinning and Work Hardening in Nanotwinned Monolithic Metals

    DOE PAGES

    Liu, Y.; Li, N.; Bufford, D.; Lee, J. H.; Wang, J.; Wang, H.; Zhang, X.

    2015-07-14

    Certain nanotwinned (nt) metals have rare combinations of high mechanical strength and ductility. Here, we review recent in situ nanoindentation studies (using transmission electron microscopes) on the deformation mechanisms of nt face-centered cubic metals including Cu, Ni, and Al with a wide range of stacking fault energy (SFE). Moreover, in nt Cu with low-to-intermediate SFE, detwinning (accompanied by rapid twin boundary migration) occurs at ultralow stress. In Ni with relatively high SFE, coherent {111} twin boundaries lead to substantial work hardening. Twinned Al has abundant {112} incoherent twin boundaries, which induce significant work-hardening capability and plasticity in Al. Finally, twinmore » boundaries in Al also migrate but at very high stresses. Furthermore, molecular dynamics simulations reveal the influence of SFE on deformation mechanisms in twinned metals.« less

  13. In Situ Nanoindentation Studies on Detwinning and Work Hardening in Nanotwinned Monolithic Metals

    SciTech Connect

    Liu, Y.; Li, N.; Bufford, D.; Lee, J. H.; Wang, J.; Wang, H.; Zhang, X.

    2015-07-14

    Certain nanotwinned (nt) metals have rare combinations of high mechanical strength and ductility. Here, we review recent in situ nanoindentation studies (using transmission electron microscopes) on the deformation mechanisms of nt face-centered cubic metals including Cu, Ni, and Al with a wide range of stacking fault energy (SFE). Moreover, in nt Cu with low-to-intermediate SFE, detwinning (accompanied by rapid twin boundary migration) occurs at ultralow stress. In Ni with relatively high SFE, coherent {111} twin boundaries lead to substantial work hardening. Twinned Al has abundant {112} incoherent twin boundaries, which induce significant work-hardening capability and plasticity in Al. Finally, twin boundaries in Al also migrate but at very high stresses. Furthermore, molecular dynamics simulations reveal the influence of SFE on deformation mechanisms in twinned metals.

  14. In Situ Infrared Ellipsometry for Protein Adsorption Studies on Ultrathin Smart Polymer Brushes in Aqueous Environment

    SciTech Connect

    Kroning, Annika; Furchner, Andreas; Aulich, Dennis; Bittrich, Eva; Rauch, Sebastian; Uhlmann, Petra; Eichhorn, Klaus-Jochen; Seeber, Michael; Luzinov, Igor; Kilbey, S. Michael; Lokitz, Bradley S.; Minko, Sergiy; Hinrichs, Karsten

    2015-02-10

    The protein-adsorbing and -repelling properties of various smart nanometer-thin polymer brushes with high potential for biosensing and biomedical applications are studied by in-situ infrared-spectroscopic ellipsometry (IRSE). IRSE as a highly sensitive non-destructive technique allows us to investigate protein adsorption on polymer brushes in aqueous environment in dependence of external stimuli like temperature and pH. These stimuli are, for instance, relevant in switchable mixed brushes containing poly(N-isopropyl acrylamide) and poly(acrylic acid), respectively. We use such brushes as model surfaces for controlling protein adsorption of human serum albumin and human fibrinogen. IRSE can distinguish between polymer-specific vibrational bands, which yield insights into the hydration state of the brushes, and changes in the protein-specific amide bands, which are related to changes of the protein secondary structure.

  15. In Situ Neutron Scattering Study of Nanostructured PbTe-PbS Bulk Thermoelectric Material

    NASA Astrophysics Data System (ADS)

    Ren, Fei; Schmidt, Robert; Case, Eldon D.; An, Ke

    2016-07-01

    Nanostructures play an important role in thermoelectric materials. Their thermal stability, such as phase change and evolution at elevated temperatures, is thus of great interest to the thermoelectric community. In this study, in situ neutron diffraction was used to examine the phase evolution of nanostructured bulk PbTe-PbS materials fabricated using hot pressing and pulsed electrical current sintering (PECS). The PbS second phase was observed in all samples in the as-pressed condition. The temperature dependent lattice parameter and phase composition data show an initial formation of PbS precipitates followed by a redissolution during heating. The redissolution process started around 570-600 K, and completed at approximately 780 K. During cooling, the PECS sample followed a reversible curve while the heating/cooling behavior of the hot pressed sample was irreversible.

  16. In situ microscopic studies on the structural and chemical behaviors of lithium-ion battery materials

    NASA Astrophysics Data System (ADS)

    Shao, Minhua

    2014-12-01

    The direct observation of the microstructural evolution and state-of-charge (SOC) distribution in active materials is crucial to understand the lithiation/delithiation mechanisms during electrochemical cycling of lithium-ion batteries (LIBs). Owing to their high spatial resolutions and capability to map chemical states by combining other spectroscopic techniques, microscopic techniques including X-ray fluorescence (XRF) microscopy, Raman microscopy, transmission X-ray microscopy (TXM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) play significant roles in real time monitoring the dynamic changes in the LIB electrodes and materials. This paper reviews the recent progress of using in situ microscopic techniques to study LIB materials, including Si-, Sn-, Ge-, C- and metal oxides-based anode materials, and layered oxysulfide, metal fluorides, LiCoO2, LiNi0.8Co0.15Al0.05O2, LiMn2O4, LiFePO4 cathode materials.

  17. In situ high temperature microscopy study of the surface oxidation and phase transformations in titanium alloys.

    PubMed

    Malinov, S; Sha, W; Voon, C S

    2002-09-01

    Two popular commercial titanium alloys, Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo-0.08Si, were used for in situ high temperature microscopy study. The experiments were performed on an optical microscope equipped with high temperature stage using both normal and florescence lights. Two kinds of experiments were performed, at continuous heating/cooling with different rates and in isothermal conditions at different temperatures. The changes taking place on the sample surface during the experiments were monitored. The morphology of the alpha ==> beta ==> alpha phase transformation was recorded at different heat treatment conditions using the effect of thermal etching. An effect of sample surface oxidation and deoxidation was observed during continuous heating. The appearance and disappearance of ordered titanium oxides Ti3O and Ti2O are discussed based on the phase equilibrium diagram. The kinetics of the surface oxidation was monitored in both isothermal and continuous cooling conditions.

  18. In Situ XRD Studies of the Process Dynamics During Annealing in Cold-Rolled Copper

    NASA Astrophysics Data System (ADS)

    Dey, Santu; Gayathri, N.; Bhattacharya, M.; Mukherjee, P.

    2016-09-01

    The dynamics of the release of stored energy during annealing along two different crystallographic planes, i.e., {111} and {220}, in deformed copper have been investigated using in situ X-ray diffraction measurements at 458 K and 473 K (185 °C and 200 °C). The study has been carried out on 50 and 80 pct cold-rolled Cu sheets. The microstructures of the rolled samples have been characterized using optical microscopy and electron backscattered diffraction measurements. The microstructural parameters were evaluated from the X-ray diffractogram using the Scherrer equation and the modified Rietveld method. The stored energy along different planes was determined using the modified Stibitz formula from the X-ray peak broadening, and the bulk stored energy was evaluated using differential scanning calorimetry. The process dynamics of recovery and recrystallization as observed through the release of stored energy have been modeled as the second-order and first-order processes, respectively.

  19. Strain relaxation in He implanted UO2 polycrystals under thermal treatment: An in situ XRD study

    NASA Astrophysics Data System (ADS)

    Palancher, H.; Kachnaoui, R.; Martin, G.; Richard, A.; Richaud, J.-C.; Onofri, C.; Belin, R.; Boulle, A.; Rouquette, H.; Sabathier, C.; Carlot, G.; Desgardin, P.; Sauvage, T.; Rieutord, F.; Raynal, J.; Goudeau, Ph.; Ambard, A.

    2016-08-01

    Within the frame of the long-term evolution of spent nuclear fuel in dry disposal, the behavior of He in UO2 polycrystals has to be studied. Here, strain relaxation in He implanted samples has been characterized using in situ X-ray diffraction during thermal annealing. The influence of a wide range of experimental parameters (annealing atmosphere, He ion energy, orientation of the UO2 grains probed by X-rays) has been evaluated. If each of them contributes to the strain relaxation kinetics in the implanted layer, strain relaxation is not completed for temperatures below 900 °C which is equivalent to what has been found on He implanted UO2 single crystals, or aged UO2 pellets doped with α-emitters. In the case of implantation with 500 keV He ions, we clearly show that strain relaxation and He release are not correlated for temperatures below 750 °C.

  20. Trade Study of Five In-Situ Propellant Production Systems for a Mars Sample Return Mission

    NASA Technical Reports Server (NTRS)

    Green, S. T.; Deffenbaugh, D. M.; Miller, M. A.

    1999-01-01

    One of the goals of NASA's HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today's technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study: 1) Zirconia cell with methanol synthesis, 2) Reverse water gas shift with water electrolysis and methanol synthesis, 3) Sabatier process for methane product ion with water electrolysis, 4) Sabatier process with water electrolysis and partial methane pyrolysis, and 5) Sabatier/RWGS combination with water electrolysis.

  1. In-Situ Studies of Intercritically Austempered Ductile Iron Using Neutron Diffraction

    SciTech Connect

    Druschitz, Alan; Aristizabal, Ricardo; Druschitz, Edward; Hubbard, Camden R; Watkins, Thomas R; Walker, Larry R; Ostrander, M

    2012-01-01

    Intercritically austempered ductile irons hold promise for applications requiring fatigue durability, excellent castability, low production energy requirements, reduced greenhouse gas emissions and excellent machinability. In the present study, four different ductile iron alloys, containing manganese and nickel as the primary austenite-stabilizing elements, were heat treated to obtain different quantities of austenite in the final microstructure. This paper reports the microstructures and phases present in these alloys. Further, lattice strains and diffraction elastic constants in various crystallographic directions and the transformation characteristics of the austenite as a function of applied stress were determined using in-situ loading with neutron diffraction at the second generation Neutron Residual Stress Facility (NRSF2) at the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL).

  2. Studies on in situ magnetic alignment of bonded anisotropic Nd-Fe-B alloy powders

    DOE PAGES

    Nlebedim, I. C.; Ucar, Huseyin; Hatter, Christine B.; McCallum, R. W.; McCall, Scott K.; Kramer, M. J.; Paranthaman, M. Parans

    2016-08-30

    We presented some considerations for achieving high degree of alignment in polymer bonded permanent magnets via the results of a study on in situ magnetic alignment of anisotropic Nd-Fe-B magnet powders. Contributions from effect of the alignment temperature, alignment magnetic field and the properties of the polymer on the hard magnetic properties of the bonded magnet were considered. Moreover, the thermo-rheological properties of the polymer and the response of the magnet powders to the applied magnetic field indicate that hard magnetic properties were optimized at an alignment temperature just above the melting temperature of the EVA co-polymer. This agrees withmore » an observed correlation between the change in magnetization due to improved magnetic alignment of the anisotropic powders and the change in viscosity of the binder. Finally, manufacturing cost can be minimized by identifying optimum alignment temperatures and magnetic field strengths.« less

  3. Kinetics of Methane Hydrate Decomposition Studied via in Situ Low Temperature X-ray Powder Diffraction

    SciTech Connect

    Everett, Susan M; Rawn, Claudia J; Keffer, David J.; Mull, Derek L; Payzant, E Andrew; Phelps, Tommy Joe

    2013-01-01

    Gas hydrates are known to have a slowed decomposition rate at ambient pressure and temperatures below the melting point of ice termed self-preservation or anomalous preservation. As hydrate exothermically decomposes, gas is released and water of the clathrate cages transforms into ice. Two regions of slowed decomposition for methane hydrate, 180 200 K and 230 260 K, were observed, and the kinetics were studied by in situ low temperature x-ray powder diffraction. The kinetic constants for ice formation from methane hydrate were determined by the Avrami model within each region and activation energies, Ea, were determined by the Arrhenius plot. Ea determined from the data for 180 200 K was 42 kJ/mol and for 230 260 K was 22 kJ/mol. The higher Ea in the colder temperature range was attributed to a difference in the microstructure of ice between the two regions.

  4. In situ Raman spectroscopy study of metal-enhanced hydrogenation and dehydrogenation of VO2.

    PubMed

    Wu, Hao; Fu, Qiang; Bao, Xinhe

    2016-11-01

    Vanadium dioxide (VO2) has a phase transition from insulator to metal at 340 K, and this transition can be strongly modified by hydrogenation. In this work, two dimensional (2D) VO2 sheets have been grown on Si(1 1 1) surfaces through chemical vapor deposition, and metal (Au, Pt) thin films were deposited on VO2 surfaces by sputtering. The hydrogenation and dehydrogenation of VO2 and metal-decorated VO2 structures in H2 and in air were in situ studied by Raman. We found that hydrogenation and dehydrogenation temperatures have been significantly decreased with the VO2 surface decorated by Au and Pt. The enhanced hydrogenation and dehydrogenation reactions can be attributed to catalytic dissociation of H2 and O2 molecules on metal surfaces and subsequent spillover of dissociated H and O atoms to the oxide surfaces. PMID:27603090

  5. In situ Raman spectroscopy study of metal-enhanced hydrogenation and dehydrogenation of VO2

    NASA Astrophysics Data System (ADS)

    Wu, Hao; Fu, Qiang; Bao, Xinhe

    2016-11-01

    Vanadium dioxide (VO2) has a phase transition from insulator to metal at 340 K, and this transition can be strongly modified by hydrogenation. In this work, two dimensional (2D) VO2 sheets have been grown on Si(1 1 1) surfaces through chemical vapor deposition, and metal (Au, Pt) thin films were deposited on VO2 surfaces by sputtering. The hydrogenation and dehydrogenation of VO2 and metal-decorated VO2 structures in H2 and in air were in situ studied by Raman. We found that hydrogenation and dehydrogenation temperatures have been significantly decreased with the VO2 surface decorated by Au and Pt. The enhanced hydrogenation and dehydrogenation reactions can be attributed to catalytic dissociation of H2 and O2 molecules on metal surfaces and subsequent spillover of dissociated H and O atoms to the oxide surfaces.

  6. Towards functionalization of graphene: in situ study of the nucleation of copper-phtalocyanine on graphene

    NASA Astrophysics Data System (ADS)

    Schwarz, Daniel; Henneke, Caroline; Kumpf, Christian

    2016-02-01

    Molecular films present an elegant way for the uniform functionalization or doping of graphene. Here, we present an in situ study on the initial growth of copper phthalocyanine (CuPc) on epitaxial graphene on Ir(111). We followed the growth up to a closed monolayer with low energy electron microscopy and selected area electron diffraction (μLEED). The molecules coexist on graphene in a disordered phase without long-range order and an ordered crystalline phase. The local topography of the graphene substrate plays an important role in the nucleation process of the crystalline phase. Graphene flakes on Ir(111) feature regions that are under more tensile stress than others. We observe that the CuPc molecules form ordered domains initially on those graphene regions that are closest to the fully relaxed lattice. We attribute this effect to a stronger influence of the underlying Ir(111) substrate for molecules adsorbed on those relaxed regions.

  7. Proximal deletion of chromosome 21 confirmed by in situ hybridization and molecular studies

    SciTech Connect

    Courtens, W.; Peterson, M.B.; Noeel, J.C.; Flament-Durand, J.; Van Regemorter, N.; Delneste, D.; Cochaux, P.; Verschraegen-Spae, M.R.; Van Roy, N.; Speleman, F.

    1994-07-01

    Foetal blood sampling was performed at 35 weeks of gestation due to abnormal foetal ultrasound findings. There was apparent monosomy 21 (45,XX,-21) in all mitoses analyzed. The infant died at 37 weeks during delivery. Examination disclosed facial anomalies, clubfeet, hypoplasia of the left urogenital tract, agenesis of corpus callosum, ventricular dilatation, and heterotopias. Reevaluation of the karyotype showed an unbalanced translocation (1;21) (q44;q22.11) which resulted from a maternal balanced translocation. These findings were confirmed by fluorescence in situ hybridization and molecular studies with chromosome 21 specific markers. The latter showed a proximal deletion of the maternally derived chromosome 21 including all loci from centrometer down to the D21S210 locus. This case illustrates the need for complementary cytogenetic and molecular investigations in cases of apparent monosomy 21. 41 refs., 4 figs., 2 tabs.

  8. EXAFS investigations of metal organic molecules with the goal of studying homogeneously catalytic systems in situ

    NASA Astrophysics Data System (ADS)

    Ertel, T. S.; Hörner, W.; Hückmann, S.; Kolb, U.; Abraham, I.; Bertagnolli, H.

    1995-02-01

    The investigations of Grignard compounds are very instructive for understanding the principles of getting structural information on highly complex and simultaneously metal activated systems by means of EXAFS spectroscopy. The structural investigations of a model system for Friedel-Crafts alkylation and some metal complexes (metal = Zr, Mo, W, Re), which activate carbonyl groups selectively with respect to the subsequent ring cleavage of axially prosterogenic biaryl lactones, are reported. As an actual field of metal organic research temperature dependent in situ EXAFS studies of the CH-activation of substituted olefins are presented. It was possible to observe the course of the rearrangement reaction of an iridium olefin complex to the corresponding hydrido (vinyl) iridium complex.

  9. In situ surface and interface study of crystalline (3×1)-O on InAs

    NASA Astrophysics Data System (ADS)

    Qin, Xiaoye; Wang, Wei-E.; Rodder, Mark S.; Wallace, Robert M.

    2016-07-01

    The oxidation behavior of de-capped InAs (100) exposed to O2 gas at different temperatures is investigated in situ with high resolution of monochromatic x-ray photoelectron spectroscopy and low energy electron diffraction. The oxide chemical states and structure change dramatically with the substrate temperature. A (3 × 1) crystalline oxide layer on InAs is generated in a temperature range of 290-330 °C with a coexistence of In2O and As2O3. The stability of the crystalline oxide upon the atomic layer deposition (ALD) of HfO2 is studied as well. It is found that the generated (3 × 1) crystalline oxide is stable upon ALD HfO2 growth at 100 °C.

  10. In Situ Infrared Ellipsometry for Protein Adsorption Studies on Ultrathin Smart Polymer Brushes in Aqueous Environment

    DOE PAGES

    Kroning, Annika; Furchner, Andreas; Aulich, Dennis; Bittrich, Eva; Rauch, Sebastian; Uhlmann, Petra; Eichhorn, Klaus-Jochen; Seeber, Michael; Luzinov, Igor; Kilbey, S. Michael; et al

    2015-02-10

    The protein-adsorbing and -repelling properties of various smart nanometer-thin polymer brushes with high potential for biosensing and biomedical applications are studied by in-situ infrared-spectroscopic ellipsometry (IRSE). IRSE as a highly sensitive non-destructive technique allows us to investigate protein adsorption on polymer brushes in aqueous environment in dependence of external stimuli like temperature and pH. These stimuli are, for instance, relevant in switchable mixed brushes containing poly(N-isopropyl acrylamide) and poly(acrylic acid), respectively. We use such brushes as model surfaces for controlling protein adsorption of human serum albumin and human fibrinogen. IRSE can distinguish between polymer-specific vibrational bands, which yield insights intomore » the hydration state of the brushes, and changes in the protein-specific amide bands, which are related to changes of the protein secondary structure.« less

  11. In situ Raman spectroscopic study of Al-infiltrated spider dragline silk under tensile deformation.

    PubMed

    Lee, Seung-Mo; Pippel, Eckhard; Moutanabbir, Oussama; Kim, Jae-Hyun; Lee, Hak-Joo; Knez, Mato

    2014-10-01

    Natural materials consisting of protein structures impregnated with a tiny amount of metals often exhibit impressive mechanical behavior, which represents a new design paradigm for the development of biomimetic materials. Here, we produced Al-infiltrated silks by applying a modified Al2O3 atomic layer deposition process to the dragline silk of the Nephila pilipes spider, which showed unusual mechanical properties. The deformation behavior of the molecular structure of the Al-infiltrated silk was investigated by performing in situ Raman spectroscopy, where Raman shifts were measured concurrently with macroscopic mechanical deformations. For identifying the role of the infiltrated Al atoms, the study was performed in parallel with untreated silk, and the results were compared. Our experimental results revealed that superior mechanical properties of the Al-infiltrated silk are likely to be caused by the alterations of the sizes of the β-sheet crystals and their distribution. PMID:25203848

  12. Androgen Receptor Structure, Function and Biology: From Bench to Bedside

    PubMed Central

    Davey, Rachel A; Grossmann, Mathis

    2016-01-01

    The actions of androgens such as testosterone and dihydrotestosterone are mediated via the androgen receptor (AR), a ligand-dependent nuclear transcription factor and member of the steroid hormone nuclear receptor family. Given its widespread expression in many cells and tissues, the AR has a diverse range of biological actions including important roles in the development and maintenance of the reproductive, musculoskeletal, cardiovascular, immune, neural and haemopoietic systems. AR signalling may also be involved in the development of tumours in the prostate, bladder, liver, kidney and lung. Androgens can exert their actions via the AR in a DNA binding-dependent manner to regulate target gene transcription, or in a non-DNA binding-dependent manner to initiate rapid, cellular events such as the phosphorylation of 2nd messenger signalling cascades. More recently, ligand-independent actions of the AR have also been identified. Given the large volume of studies relating to androgens and the AR, this review is not intended as an extensive review of all studies investigating the AR, but rather as an overview of the structure, function, signalling pathways and biology of the AR as well as its important role in clinical medicine, with emphasis on recent developments in this field. PMID:27057074

  13. In situ and ex situ spectroelectrochemical and X-ray absorption studies on rechargeable, chemically-modified and other MnO{sub 2} materials

    SciTech Connect

    Conway, B.E.; Qu, D.; McBreen, J. |

    1992-12-31

    A combined series of in situ and ex situ UV spectroelectrochemical and X-ray absorption studies have been made on MnO{sub 2}, chemically-modified by small amounts of Bi(III), and comparatively on other MnO{sub 2} materials such as a blank (Bi-free) and {gamma}-MnO{sub 2}. These procedures are applied in order to follow the oxidation-states of Bi and of Mn during the course of discharge and recharge of MnO{sub 2} as a battery cathode material, and the extents of rechargeability that can be achieved with such materials. Presence of Bi appears to provide a preferred ``heterogeneous`` discharge/recharge pathway involving a soluble Mn(III) intermediate, over the alternative ``electron-proton`` hopping, solid-state mechanism. From XAS results, it is concluded that presence of Bi, although not affecting the O-coordination, does influence the Mn-Mn coordination, determining the way the MnO{sub 2} coordination octahedra are connected.

  14. Anaerobic in situ biodegradation of TNT using whey as an electron donor: a case study.

    PubMed

    Innemanová, Petra; Velebová, Radka; Filipová, Alena; Čvančarová, Monika; Pokorný, Petr; Němeček, Jan; Cajthaml, Tomáš

    2015-12-25

    Contamination by 2,4,6-trinitrotoluene (TNT), an explosive extensively used by the military, represents a serious environmental problem. In this study, whey has been selected as the most technologically and economically suitable primary substrate for anaerobic in situ biodegradation of TNT. Under laboratory conditions, various additions of whey, molasses, acetate and activated sludge as an inoculant were tested and the process was monitored using numerous chemical analyses including phospholipid fatty acid analysis. The addition of whey resulted in the removal of more than 90% of the TNT in real contaminated soil (7 mg kg(-1) and 12 mg kg(-1) of TNT). The final bioremediation strategy was suggested on the basis of the laboratory results and tested under real conditions at a TNT contaminated site in the Czech Republic. During the pilot test, three repeated injections of whey suspension into the sandy aquifer were performed over a 10-month period. In total, approximately 5m(3) of whey were used. A substantial decrease in the TNT groundwater concentration from the original levels (equalling 1.49 mg l(-1) to 8.58 mg l(-1)) was observed in most of the injection wells, while the concentrations of the TNT biotransformation products were found to be elevated. Pilot-scale application results showed that the anoxic and/or anaerobic conditions in the aquifer were sufficient for TNT bio-reduction by autochthonous microorganisms. Whey application was not accompanied by undesirable effects such as a substantial decrease in the pH or clogging of the wells. The results of the study document the suitability of application of whey to bioremediate TNT contaminated sites in situ. PMID:25882606

  15. Anaerobic in situ biodegradation of TNT using whey as an electron donor: a case study.

    PubMed

    Innemanová, Petra; Velebová, Radka; Filipová, Alena; Čvančarová, Monika; Pokorný, Petr; Němeček, Jan; Cajthaml, Tomáš

    2015-12-25

    Contamination by 2,4,6-trinitrotoluene (TNT), an explosive extensively used by the military, represents a serious environmental problem. In this study, whey has been selected as the most technologically and economically suitable primary substrate for anaerobic in situ biodegradation of TNT. Under laboratory conditions, various additions of whey, molasses, acetate and activated sludge as an inoculant were tested and the process was monitored using numerous chemical analyses including phospholipid fatty acid analysis. The addition of whey resulted in the removal of more than 90% of the TNT in real contaminated soil (7 mg kg(-1) and 12 mg kg(-1) of TNT). The final bioremediation strategy was suggested on the basis of the laboratory results and tested under real conditions at a TNT contaminated site in the Czech Republic. During the pilot test, three repeated injections of whey suspension into the sandy aquifer were performed over a 10-month period. In total, approximately 5m(3) of whey were used. A substantial decrease in the TNT groundwater concentration from the original levels (equalling 1.49 mg l(-1) to 8.58 mg l(-1)) was observed in most of the injection wells, while the concentrations of the TNT biotransformation products were found to be elevated. Pilot-scale application results showed that the anoxic and/or anaerobic conditions in the aquifer were sufficient for TNT bio-reduction by autochthonous microorganisms. Whey application was not accompanied by undesirable effects such as a substantial decrease in the pH or clogging of the wells. The results of the study document the suitability of application of whey to bioremediate TNT contaminated sites in situ.

  16. Applications of in situ optical measurements in ecological and biogeochemical studies - a framework for a user-driven national network

    NASA Astrophysics Data System (ADS)

    Bergamaschi, B. A.; Pellerin, B. A.; Downing, B. D.; Saraceno, J.; Aiken, G.; Stumpner, P.

    2010-12-01

    A critical challenge for understanding the dynamics between water quality, and ecological processes is obtaining data at time scales in which changes occur. Traditional, discrete sampling, approaches for data collection are often limited by analytical and field costs, site access, and logistical challenges, for long-term sampling at a large number of sites. The timescales of change, however, are often minutes, hours, or years. In situ optical (absorbance and fluorescence) instruments offer opportunities to help overcome these difficulties by directly or indirectly measuring constituents of interest. In situ optical instrumentation have been in use in oceanographic studies for well over 50 years, and as advances in the science, engineering and technology of these sensors have improved, optical sensors have become more commercially viable and available for research. We present several examples that highlight applications of in situ optical measurements for understanding dynamics in stream, river, and estuary systems. Examples illustrate the utility of in situ optical sensors for studies over short-duration events of days to weeks (diurnal cycles, tidal cycles, storm events and snowmelt periods) as well as longer-term continuous monitoring for months to years. We also highlight applied in situ optical measurements as proxies for constituents that are difficult and expensive to measure at high spatiotemporal resolution, for example, dissolved organic carbon, dissolved organic nitrogen, mercury and methylmercury, trihalomethane precursors, harmful algal blooms, and others. We propose that relatively simple absorbance and fluorescence measurements made in situ could be incorporated into short and long-term ecological research and monitoring programs, resulting in advanced understanding of sources that contribute to water quality improvements or degradation, contaminant and carbon cycling, and the occurrence and persistence of harmful algal blooms. Linking these efforts

  17. In situ TEM studies of micron-sized all-solid-state fluoride ion batteries: Preparation, prospects, and challenges.

    PubMed

    Hammad Fawey, Mohammed; Chakravadhanula, Venkata Sai Kiran; Reddy, Munnangi Anji; Rongeat, Carine; Scherer, Torsten; Hahn, Horst; Fichtner, Maximilian; Kübel, Christian

    2016-07-01

    Trustworthy preparation and contacting of micron-sized batteries is an essential task to enable reliable in situ TEM studies during electrochemical biasing. Some of the challenges and solutions for the preparation of all-solid-state batteries for in situ TEM electrochemical studies are discussed using an optimized focused ion beam (FIB) approach. In particular redeposition, resistivity, porosity of the electrodes/electrolyte and leakage current are addressed. Overcoming these challenges, an all-solid-state fluoride ion battery has been prepared as a model system for in situ TEM electrochemical biasing studies and first results on a Bi/La0.9 Ba0.1 F2.9 half-cell are presented. Microsc. Res. Tech. 79:615-624, 2016. © 2016 Wiley Periodicals, Inc. PMID:27145192

  18. Ionospheric Cubeswarm Concept Study: using low-resource instrumentation for truly multipoint in situ ionospheric observations

    NASA Astrophysics Data System (ADS)

    Hampton, D.; Lynch, K. A.; Earle, G. D.; Mannucci, A. J.; Clayton, R.; Fisher, L. E.; Fernandes, P. A.; Roberts, M.; Zettergren, M. D.

    2015-12-01

    Magnetosphere-ionosphere coupling currents close in the nightside lower ionosphere. These spatially inhomogeneous and time varying volume currents are difficult to capture with in situ observations. Our understanding of M-I coupling systems is limited by our understanding of the actual structure of ionospheric current closure. A path forward includes assimilation of a variety of data sets into increasingly capable ionospheric models. While each data set provides only a piece of the picture, the assimilation process allows optimal use of each piece.An important development for the necessary in situ observations involves making them truly multi-point, and therefore, low-resource. For thermal particle observations, the high densities of the lower ionosphere allow the use of low-gain (current-sensing rather than particle-counting) particle sensors. One observational goal is the definition of the actual structure of ionospheric closure currents. This can be approached with a number of different measurement techniques, in tandem with an ionospheric model, since the closure currents need to follow the rules of electrodynamics and current continuity. Low resource thermal plasma sensors such as retarding potential analyzers and drift meters can provide valuable measurements of plasma parameters, including density and plasma flow, without the need for high voltages or deployable boom systems. These low-resource measurements, which can be reproduced on arrays of in situ observation platforms, used in tandem with proper plasma physics interpretation of their signatures in the disturbed observing environment, and as part of an assimilated data set into an ionospheric model, can allow us to progress in our understanding of ionospheric structuring and its effects on auroral coupling. Now, with increasingly capable multipoint arrays of spacecraft, and quantitative 2D-with-time context from cameras and imagery, we are moving toward truly multipoint studies of the system

  19. The Impact of the Structure, Function, and Resources of the Campus Security Office on Campus Safety

    ERIC Educational Resources Information Center

    Bennett, Patricia Anne

    2012-01-01

    The topic of this dissertation is college and university safety. This national quantitative study utilized resource dependency theory to examine relationships between the incidence of reported campus crimes and the structure, function, and resources of campus security offices. This study uncovered a difference in reported total crime rates,…

  20. Preliminary Results on the Experimental Investigation of the Structure Functions of Bound Nucleons

    SciTech Connect

    Bodek, Arie

    2015-09-01

    We present preliminary results on an experimental study of the nuclear modification of the longitudinal (σL) and transverse (σT) structure functions of nucleons bound in nuclear targets. The origin of these modifications (commonly referred as as the EMC effect) is not fully understood. Our measurements of R= σLT for nuclei (RA) and for deuterium (RD) indicate that nuclear modifications of the structure functions of bound nucleons are different for the longitudinal and transverse structure functions, and that contrary to expectation from several theoretical models, RA < RD.

  1. Neurolinguistics: Structure, Function, and Connectivity in the Bilingual Brain

    PubMed Central

    Wong, Becky; Yin, Bin; O'Brien, Beth

    2016-01-01

    Advances in neuroimaging techniques and analytic methods have led to a proliferation of studies investigating the impact of bilingualism on the cognitive and brain systems in humans. Lately, these findings have attracted much interest and debate in the field, leading to a number of recent commentaries and reviews. Here, we contribute to the ongoing discussion by compiling and interpreting the plethora of findings that relate to the structural, functional, and connective changes in the brain that ensue from bilingualism. In doing so, we integrate theoretical models and empirical findings from linguistics, cognitive/developmental psychology, and neuroscience to examine the following issues: (1) whether the language neural network is different for first (dominant) versus second (nondominant) language processing; (2) the effects of bilinguals' executive functioning on the structure and function of the “universal” language neural network; (3) the differential effects of bilingualism on phonological, lexical-semantic, and syntactic aspects of language processing on the brain; and (4) the effects of age of acquisition and proficiency of the user's second language in the bilingual brain, and how these have implications for future research in neurolinguistics. PMID:26881224

  2. Ion Channel Voltage Sensors: Structure, Function, and Pathophysiology

    PubMed Central

    Catterall, William A.

    2010-01-01

    Voltage-gated ion channels generate electrical signals in species from bacteria to man. Their voltage-sensing modules are responsible for initiation of action potentials and graded membrane potential changes in response to synaptic input and other physiological stimuli. Extensive structure-function studies, structure determination, and molecular modeling are now converging on a sliding-helix mechanism for electromechanical coupling in which outward movement of gating charges in the S4 transmembrane segments catalyzed by sequential formation of ion pairs pulls the S4-S5 linker, bends the S6 segment, and opens the pore. Impairment of voltage-sensor function by mutations in Na+ channels contributes to several ion channelopathies, and gating pore current conducted by mutant voltage sensors in NaV1.4 channels is the primary pathophysiological mechanism in Hypokalemic Periodic Paralysis. The emerging structural model for voltage sensor function opens the way to development of a new generation of ionchannel drugs that act on voltage sensors rather than blocking the pore. PMID:20869590

  3. Neurolinguistics: Structure, Function, and Connectivity in the Bilingual Brain.

    PubMed

    Wong, Becky; Yin, Bin; O'Brien, Beth

    2016-01-01

    Advances in neuroimaging techniques and analytic methods have led to a proliferation of studies investigating the impact of bilingualism on the cognitive and brain systems in humans. Lately, these findings have attracted much interest and debate in the field, leading to a number of recent commentaries and reviews. Here, we contribute to the ongoing discussion by compiling and interpreting the plethora of findings that relate to the structural, functional, and connective changes in the brain that ensue from bilingualism. In doing so, we integrate theoretical models and empirical findings from linguistics, cognitive/developmental psychology, and neuroscience to examine the following issues: (1) whether the language neural network is different for first (dominant) versus second (nondominant) language processing; (2) the effects of bilinguals' executive functioning on the structure and function of the "universal" language neural network; (3) the differential effects of bilingualism on phonological, lexical-semantic, and syntactic aspects of language processing on the brain; and (4) the effects of age of acquisition and proficiency of the user's second language in the bilingual brain, and how these have implications for future research in neurolinguistics. PMID:26881224

  4. Neurolinguistics: Structure, Function, and Connectivity in the Bilingual Brain.

    PubMed

    Wong, Becky; Yin, Bin; O'Brien, Beth

    2016-01-01

    Advances in neuroimaging techniques and analytic methods have led to a proliferation of studies investigating the impact of bilingualism on the cognitive and brain systems in humans. Lately, these findings have attracted much interest and debate in the field, leading to a number of recent commentaries and reviews. Here, we contribute to the ongoing discussion by compiling and interpreting the plethora of findings that relate to the structural, functional, and connective changes in the brain that ensue from bilingualism. In doing so, we integrate theoretical models and empirical findings from linguistics, cognitive/developmental psychology, and neuroscience to examine the following issues: (1) whether the language neural network is different for first (dominant) versus second (nondominant) language processing; (2) the effects of bilinguals' executive functioning on the structure and function of the "universal" language neural network; (3) the differential effects of bilingualism on phonological, lexical-semantic, and syntactic aspects of language processing on the brain; and (4) the effects of age of acquisition and proficiency of the user's second language in the bilingual brain, and how these have implications for future research in neurolinguistics.

  5. Corrosion in Haas expanders with and without use of an antimicrobial agent: an in situ study

    PubMed Central

    BAGATIN, Cristhiane Ristum; ITO, Izabel Yoko; ANDRUCIOLI, Marcela Cristina Damião; NELSON-FILHO, Paulo; FERREIRA, José Tarcísio Lima

    2011-01-01

    Objectives The purpose of this study was to evaluate in situ the occurrence of corrosion in the soldering point areas between the wire, silver brazing and band in Haas expanders. Material and Methods Thirty-four 7-12-year-old patients who needed maxillary expansion with a Haas expander were randomly assigned to two groups of 17 individuals each, according to the oral hygiene protocol adopted during the orthodontic treatment: Group I (control), toothbrushing with a fluoride dentifrice and Group II (experimental), toothbrushing with the same dentifrice plus 0.12% chlorhexidine gluconate (Periogard®) mouthrinses twice a week. The appliances were removed after approximately 4 months. Fragments of the appliances containing a metallic band with a soldered wire were sectioned at random for examination by stereomicroscopy, scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS). Data were analyzed statistically by Fisher's test at 5% significance level. Results The analysis by optical microscopy revealed areas with color change suggestive of corrosion in the soldering point areas joining the band and the wire in all specimens of both groups, with no statistically significant difference between the groups (p=1). The peaks of chemical elements (Ni, Fe, Cr, O, C and P) revealed by EDS were also similar in both groups. Conclusion: Color changes and peaks of chemical elements suggestive of corrosion were observed in the soldering point areas between the wire, silver brazing and band in both control and experimental groups, which indicate that the 0.12% chlorhexidine gluconate mouthrinses did not influence the occurrence of corrosion in situ. PMID:22231004

  6. In situ XPS study of methanol reforming on PdGa near-surface intermetallic phases

    PubMed Central

    Rameshan, Christoph; Stadlmayr, Werner; Penner, Simon; Lorenz, Harald; Mayr, Lukas; Hävecker, Michael; Blume, Raoul; Rocha, Tulio; Teschner, Detre; Knop-Gericke, Axel; Schlögl, Robert; Zemlyanov, Dmitry; Memmel, Norbert; Klötzer, Bernhard

    2012-01-01

    In situ X-ray photoelectron spectroscopy and low-energy ion scattering were used to study the preparation, (thermo)chemical and catalytic properties of 1:1 PdGa intermetallic near-surface phases. Deposition of several multilayers of Ga metal and subsequent annealing to 503–523 K led to the formation of a multi-layered 1:1 PdGa near-surface state without desorption of excess Ga to the gas phase. In general, the composition of the PdGa model system is much more variable than that of its PdZn counterpart, which results in gradual changes of the near-surface composition with increasing annealing or reaction temperature. In contrast to near-surface PdZn, in methanol steam reforming, no temperature region with pronounced CO2 selectivity was observed, which is due to the inability of purely intermetallic PdGa to efficiently activate water. This allows to pinpoint the water-activating role of the intermetallic/support interface and/or of the oxide support in the related supported PdxGa/Ga2O3 systems, which exhibit high CO2 selectivity in a broad temperature range. In contrast, corresponding experiments starting on the purely bimetallic model surface in oxidative methanol reforming yielded high CO2 selectivity already at low temperatures (∼460 K), which is due to efficient O2 activation on PdGa. In situ detected partial and reversible oxidative Ga segregation on intermetallic PdGa is associated with total oxidation of intermediate C1 oxygenates to CO2. PMID:22875996

  7. Study of environmental radioactivity in Palestine by in situ gamma-ray spectroscopy.

    PubMed

    Lahham, Adnan; Al-Masri, Hussein; Judeh, Adnan

    2009-07-01

    This work presents qualitative and quantitative evaluation of environmental radioactivity in the central and southern areas of the West Bank, Palestine. For this purpose, the technology of in situ gamma-ray spectroscopy is used with a scintillation of 7.6 x 7.6 cm NaI(Tl) crystal connected to multichannel analyzer InSpector 2000 from Canberra instruments and laptop computer. Gamma-ray spectra were collected using the detector placed 1 m above the ground surface. Calibration of the detection system for in situ measurements of gamma-emitting radionuclides in open terrain is performed theoretically using Monte Carlo techniques. Measurements are conducted in 18 locations in 3 regions across the West Bank. The vast majority of identified radionuclides are naturally occurring gamma-emitting sources (the decay products of (238)U, (232)Th and (40)K). The only identified anthropogenic radionuclide is (137)Cs. Activity concentrations of (40)K, (238)U, (232)Th as well as the total outdoor gamma dose rate from these radionuclides were determined from the gamma-ray spectra. The highest activity concentrations of the three primordial radionuclides were 203 Bq kg(-1) for (40)K, 32 Bq kg(-1) for (238)U and 30 Bq kg(-1) for (232)Th. The total outdoor gamma dose rate calculated for the whole study area at 1 m above ground ranged from 6 to 30 nGy h(-1) with a mean of 18 +/- 7 nGy h(-1), which represents about 30% of the world average value. PMID:19470444

  8. In situ XAS studies of Pt{sub x}Pd{sub 1-x} nanoparticles under thermal annealing

    SciTech Connect

    Bernardi, F.; Morais, J.; Alves, M. C. M.

    2009-01-29

    In this work, we have studied Pt{sub x}Pd{sub 1-x}(x = 1, 0.7 or 0.5) nanoparticles subjected to H{sub 2} reduction and sulfidation under H{sub 2}S atmosphere, both at 300 deg. C. The system was studied by in-situ x-ray absorption spectroscopy (in-situ XAS). We observed that the efficiency of sulfidation is directly proportional to the quantity of Pd atoms in the nanoparticle, provided the reduction process has been achieved.

  9. Scaling behavior in turbulent Rayleigh-Bénard convection revealed by conditional structure functions.

    PubMed

    Ching, Emily S C; Tsang, Yue-Kin; Fok, T N; He, Xiaozhou; Tong, Penger

    2013-01-01

    We show that the nature of the scaling behavior can be revealed by studying the conditional structure functions evaluated at given values of the locally averaged thermal dissipation rate. These conditional structure functions have power-law dependence on the value of the locally averaged thermal dissipation rate, and such dependence for the Bolgiano-Obukhov scaling is different from the other scaling behaviors. Our analysis of experimental measurements verifies the power-law dependence and reveals the Bolgiano-Obukhov scaling behavior at the center of the bottom plate of the convection cell.

  10. Charm structure functions and gluon shadowing effects with the AdS/CFT model

    NASA Astrophysics Data System (ADS)

    Wang, Hong-Min; Hou, Zhao-Yu; Liu, Jia-Fu; Sun, Xian-Jing

    2012-08-01

    By means of the UGD function extracted from an AdS/CFT inspired saturation model, the charm and bottom structure functions are studied in fixed-order perturbation theory. It is shown that the theoretical results are in good agreement with the recent HERA data. Then, this UGD function is also used to investigate net-kaon rapidity distribution in Au+Au collisions at RHIC energies and the theoretical results fit well to the BRAHMS data. In the end of this paper, we give the predicted results for nuclear charm structure function at very small x where the popular shadowing parameterizations are invalid.

  11. Quantitative In Situ TEM Studies of Small-Scale Plasticity in Irradiated and Unirradiated Metals

    NASA Astrophysics Data System (ADS)

    Chisholm, Claire

    mechanical data, as the two defect conditions exhibit similar yield strengths, ultimate tensile strengths, and number and size of load-drops. This similarity implies that, even if materials contain dissimilar individual defects, the collective defect behavior can result in similar mechanical properties. Thus, the origin of mechanical properties can be ambiguous and caution should be taken when extrapolating to different size scales. Furthermore, such similarities highlight the importance of in-situ observation during deformation. These experiments provide a key test of theory, by providing a local test of behavior, which is much more stringent than testing behaviors averaged over many regions. Advanced electron microscopy imaging techniques and quantitative in-situ TEM tensile tests are performed with Au thin-film as a model FCC structural material. These investigations highlight the various hurdles experimental studies must overcome in order to probe defect behavior at a fundamental level. Two novelly-applied strain mapping techniques are performed to directly measure the matrix strain around helium bubbles in He1+ implanted Au thin-film. Dark-field inline holography (DFIH) is applied here for the first time to a metal, and nano-beam electron diffraction (NBED) transient strain mapping is shown to be experimentally feasible using the high frame rate Gatan K2 camera. The K2 camera reduces scan times from ˜18 minutes to 82 seconds for a 128x256 pixel scan at 400 fps. Both methods measure a peak strain around 10 nm bubbles of 0.7%, correlating to an internal pressure of 580 MPa, or a vacancy to helium ion ratio of 1V:2.4He. Previous studies have relied on determining the appropriate equation of state to relate measured or approximated helium density to internal bubble pressure and thus strain. Direct measurement of the surrounding matrix strain through DFIH and NBED methods effectively bypasses this step, allowing for easier defect interaction modeling as the bubble can be

  12. Plasticity and ultra-low stress induced twin boundary migration in nanotwinned Cu by in situ nanoindentation studies

    SciTech Connect

    Liu, Y.; Chen, Y.; Jian, J.; Wang, H.; Zhang, X.

    2014-06-09

    Nanotwinned metals have rare combinations of mechanical strength and ductility. Previous studies have shown that detwinning occurs in plastically deformed nanotwinned metals. Although molecular dynamics simulations have predicted that fine nanotwins can migrate at low stress, there is little in situ evidence to validate such predictions. Also it is unclear if detwinning occurs prior to or succeeding plastic yielding. Here, by using in situ nanoindentation in a transmission electron microscope, we show that a non-elastic detwinning process in nanotwinned Cu occurred at ultra-low indentation stress (0.1 GPa), well before the stress necessary for plastic yielding. Furthermore, the in situ nanoindentation technique allows us to differentiate dislocation-nucleation dominated microscopic yielding preceding macroscopic yielding manifested by dislocation-transmission through twin boundaries. This study thus provides further insights for understanding plasticity in nanotwinned metals at microscopic levels.

  13. Growth study of branching coral Acropora formosa between natural reef habitats and in situ coral nurseries

    NASA Astrophysics Data System (ADS)

    Xin, Loke Hai; Hyde, Julian; Cob, Zaidi Che; Adzis, Kee Alfian Abdul

    2013-11-01

    Being a common reef building coral in Malaysian waters, growth of Acropora Formosa in natural reef habitat and coral nursery condition had been studied in aspects of extension growth, survival and proto-branch generation. The study sites took place at two separate islands with different environment conditions. In this study, A. formosa samples of natural reefs at Pangkor Island turbid waters recorded better growth in average extension rate (0.71 ±0.48 cm/month) and higher proto-branch generation rate (up to 52% after 6 months) than Tioman Island samples (0.38 ±0.34 cm/month, highest 17% after 6 months). However, Tioman Island natural reef samples maintained 100% survival throughout the study period. Then, branch fragments or nubbins of A. formosa were transplanted into two coral nursery sites at Tioman Island. Among these two coral nurseries, the Tekek site had better growth in all three aspects than Air Batang site. This was believed due to Tekek nursery had been setup with nubbins for more than 6 months before Air Batang nursery, thus the Tekek samples were conditioned long enough for growing in the coral nursery environment. The results of this study documented the growth of this particular coral species in two islands of Peninsular Malaysia, and demonstrated the potential application of A. Formosa for coral transplant, in situ nursery and active reef restoration.

  14. Comparison between direct and reverse electroporation of cells in situ: a simulation study.

    PubMed

    Towhidi, Leila; Khodadadi, Delaram; Maimari, Nataly; Pedrigi, Ryan M; Ip, Henry; Kis, Zoltan; Kwak, Brenda R; Petrova, Tatiana W; Delorenzi, Mauro; Krams, Rob

    2016-03-01

    The discovery of the human genome has unveiled new fields of genomics, transcriptomics, and proteomics, which has produced paradigm shifts on how to study disease mechanisms, wherein a current central focus is the understanding of how gene signatures and gene networks interact within cells. These gene function studies require manipulating genes either through activation or inhibition, which can be achieved by temporarily permeabilizing the cell membrane through transfection to delivercDNAorRNAi. An efficient transfection technique is electroporation, which applies an optimized electric pulse to permeabilize the cells of interest. When the molecules are applied on top of seeded cells, it is called "direct" transfection and when the nucleic acids are printed on the substrate and the cells are seeded on top of them, it is termed "reverse" transfection. Direct transfection has been successfully applied in previous studies, whereas reverse transfection has recently gained more attention in the context of high-throughput experiments. Despite the emerging importance, studies comparing the efficiency of the two methods are lacking. In this study, a model for electroporation of cells in situ is developed to address this deficiency. The results indicate that reverse transfection is less efficient than direct transfection. However, the model also predicts that by increasing the concentration of deliverable molecules by a factor of 2 or increasing the applied voltage by 20%, reverse transfection can be approximately as efficient as direct transfection.

  15. Intercepts of the non-singlet structure functions

    NASA Astrophysics Data System (ADS)

    Ermolaev, B. I.; Greco, M.; Troyan, S. I.

    2001-01-01

    Infrared evolution equations for small- x behaviour of the non-singlet structure functions f 1NS and g 1NS are obtained and solved in the next-to-leading approximation, to all orders in α s, and including running α s effects. The intercepts of these structure functions, i.e., the exponents of the power-like small- x behaviour, are calculated. A detailed comparison with the leading logarithmic approximation (LLA) and DGLAP is made. We explain why the LLA predictions for the small- x dependence of the structure functions may be more reliable than the prediction for the Q 2 dependence in the range of Q 2 explored at HERA.

  16. On the analytic proton structure function with heavy quarks

    NASA Astrophysics Data System (ADS)

    Hu, Y.; Zeng, J.; Li, Q.; Zhou, F.; Zhou, D.; Xiang, W.

    2015-12-01

    The analytic proton structure function including quark mass is derived in the framework of color glass condensate. To get the massive proton structure function we keep the quark mass in photon wave function in the derivation process although the calculation is much more complicated than the massless case. It shows that the quark mass plays a key role in the description of the experimental data of proton structure function, and the cross-section of γ^{ast}p scattering will be divergent without quark mass regulation. To have the right threshold behavior and a smooth transition in the limit Q2→ 0, the quark mass has to include in the cross-section.

  17. In-situ studies of cartilage microtribology: roles of speed and contact area

    PubMed Central

    Bonnevie, E.D.; Baro, V.; Wang, L.; Burris, D.L.

    2011-01-01

    The progression of local cartilage surface damage toward early stage osteoarthritis (OA) likely depends on the severity of the damage and its impact on the local lubrication and stress distribution in the surrounding tissue. It is difficult to study the local responses using traditional methods; in-situ microtribological methods are being pursued here as a means to elucidate the mechanical aspects of OA progression. While decades of research have been dedicated to the macrotribological properties of articular cartilage, the microscale response is unclear. An experimental study of healthy cartilage microtribology was undertaken to assess the physiological relevance of a microscale friction probe. Normal forces were on the orderof50 mN. Sliding speed varied from 0 to 5 mm/s, and two probes radii, 0.8 mm and 3.2 mm, were used in the study. In-situ measurements of the indentation depth into the cartilage enabled calculations of contact area, effective elastic modulus, elastic and fluid normal force contributions, and the interfacial friction coefficient. This work resulted in the following findings: 1) at high sliding speed (V=1–5 mm/s), the friction coefficient was low (μ = 0.025) and insensitive to probe radius (0.8 mm 3.2 mm) despite the 4-folddifference in the resulting contact areas; 2) The contact area was a strong function of the probe radius and sliding speed; 3) the friction coefficient was proportional to contact area when sliding speed varied from 0.05mm/s-5mm/s; 4) the fluid load support was greater than 85% for all sliding conditions (0% fluid support when V=0) and was insensitive to both probe radius and sliding speed. The findings were consistent with the adhesive theory of friction; as speed increased, increased effective hardness reduced the area of solid-solid contact which subsequently reduced the friction force. Where the severity of the sliding conditions dominates the wear and degradation of typical engineering tribomaterials, the results

  18. Recent Advances in Plant NLR Structure, Function, Localization, and Signaling

    PubMed Central

    Qi, Dong; Innes, Roger W.

    2013-01-01

    Nucleotide-binding domain leucine-rich repeat (NLR) proteins play a central role in the innate immune systems of plants and vertebrates. In plants, NLR proteins function as intracellular receptors that detect pathogen effector proteins directly, or indirectly by recognizing effector-induced modifications to other host proteins. NLR activation triggers a suite of defense responses associated with programed cell death (PCD). The molecular mechanisms underlying NLR activation, and how activation is translated into defense responses, have been particularly challenging to elucidate in plants. Recent reports, however, are beginning to shed some light. It is becoming clear that plant NLR proteins are targeted to diverse sub-cellular locations, likely depending on the locations where the effectors are detected. These reports also indicate that some NLRs re-localize following effector detection, while others do not, and such relocalization may reflect differences in signaling pathways. There have also been recent advances in understanding the structure of plant NLR proteins, with crystal structures now available for the N-terminal domains of two well-studied NLRs, a coiled-coil (CC) domain and a Toll-interleukin Receptor (TIR). Significant improvements in molecular modeling have enabled more informed structure-function studies, illuminating roles of intra- and inter-molecular interactions in NLR activation regulation. Several independent studies also suggest that intracellular trafficking is involved in NLR-mediated resistance. Lastly, progress is being made on identifying transcriptional regulatory complexes activated by NLRs. Current models for how plant NLR proteins are activated and how they induce defenses are discussed, with an emphasis on what remains to be determined. PMID:24155748

  19. Cysteine Modification: Probing Channel Structure, Function and Conformational Change.

    PubMed

    Akabas, Myles H

    2015-01-01

    structure-function relationships in ion channels focusing mainly on Cys-loop receptors.

  20. In-situ dust detection as a tool to study dust-plasma interactions in the Solar System

    NASA Astrophysics Data System (ADS)

    Srama, R.; Hsu, H. W.; Moragas-Klostermeyer, G.; Postberg, F.; Kempf, S.

    2014-12-01

    The unique results of the Cassini Cosmic Dust Analyzer onboard Cassini revealed the potential of in-situ dust detection for the study of dust-plasma interactions. In-situ techniques are charge induction, impact ionization, momentum transfer, foil depolarization, light scattering or mass spectrometry. Modern instruments like dust telescopes or the Cosmic Dust Analyzer (CDA) onboard Cassini combine different methods in one sensor. This paper gives an overview about in-situ dust measurements in space using direct detection methods. A focus is given to charge induction and impact ionization and their measurement thresholds are described. Major CDA discoveries are summarized and new results of nano-dust stream measurements in the outer Saturnian system are presented. These data show periodicities related to Saturn and its moons, leading to a deeper understanding of nano-dust origins and dynamics in Saturn's magnetosphere.

  1. Sensitivity Studies for In-Situ Automated Tape Placement of Thermoplastic Composites

    NASA Technical Reports Server (NTRS)

    Costen, Robert C.; Marchello, Joseph M.

    2004-01-01

    This modeling effort seeks to improve the interlaminate bond strength of thermoplastic carbon composites produced by the in-situ automated tape placement (ATP) process. An existing high productivity model is extended to lower values of the Peclet number that correspond to the present operating conditions of the Langley ATP robot. (The Peclet number is the dimensionless ratio of inertial to diffusive heat transfer.) In sensitivity studies, all of the process and material parameters are individually varied. The model yields the corresponding variations in the effective bonding time (EBT) referred to the glass transition temperature. According to reptation theory, the interlaminate bond strength after wetting occurs is proportional to the one-fourth power of EBT. The model also computes the corresponding variations in the thermal input power (TIP) and the mass and volumetric process rates. Process studies show that a 10 percent increase in the consolidation length results in a 20 percent increase in EBT and a 5 percent increase in TIP. A surprising result is that a 10 K decrease in the tooling temperature results in a 25 percent increase in EBT and an 8 percent increase in TIP. Material studies show that a 10 K decrease in glass transition temperature results in an 8 percent increase in EBT and a 8 percent decrease in TIP. A 20 K increase in polymer degradation temperature results in a 23 percent increase in EBT with no change in TIP.

  2. In situ HVEM studies of phase transformation in Zr alloys and compounds under irradiation

    SciTech Connect

    Motta, A.T.; Faldowski, J.A.; Howe, L.M.; Okamoto, P.R.

    1996-01-01

    The High Voltage Electron Microscope (HVEM)/Tandem facility at Argonne National Laboratory has been used to conduct detailed studies of the phase stability and microstructural evolution in zirconium alloys and compounds under ion and electron irradiation. Detailed kinetic studies of the crystalline-to-amorphous transformation of the intermetallic compounds Zr{sub 3}(Fe{sub 1-x}Ni{sub x}), Zr(Fe{sub 1-x},Cr{sub x}){sub 2}, Zr{sub 3}Fe, and Zr{sub 1.5} Nb{sub 1.5} Fe, both as second phase precipitates and in bulk form, have been performed using the in-situ capabilities of the Argonne facility, under a variety of irradiation conditions (temperature, dose rate). Results include a verification of a dose rate effect on amorphization and the influence of material variables (stoichiometry x, presence of stacking faults, crystal structure) on the critical temperature and on the critical dose for amorphization. Studies were also conducted of the microstructural evolution under irradiation of specially tailored binary and ternary model alloys. The stability of the {omega}-phase in Zr-20%Nb under electron and Ar ion irradiation was investigated as well as the {beta}-phase precipitation in Zr-2.5%Nb under Ar ion irradiation. The ensemble of these results is discussed in terms of theoretical models of amorphization and of irradiation-altered solubility.

  3. Operable Unit 7-13/14 in situ thermal desorption treatability study work plan

    SciTech Connect

    Shaw, P.; Nickelson, D.; Hyde, R.

    1999-05-01

    This Work Plan provides technical details for conducting a treatability study that will evaluate the application of in situ thermal desorption (ISTD) to landfill waste at the Subsurface Disposal Area (SDA) at the Idaho National Engineering and Environmental Laboratory (INEEL). ISTD is a form of thermally enhanced vapor vacuum extraction that heats contaminated soil and waste underground to raise its temperature and thereby vaporize and destroy most organics. An aboveground vapor vacuum collection and treatment system then destroys or absorbs the remaining organics and vents carbon dioxide and water to the atmosphere. The technology is a byproduct of an advanced oil-well thermal extraction program. The purpose of the ISTD treatability study is to fill performance-based data gaps relative to off-gas system performance, administrative feasibility, effects of the treatment on radioactive contaminants, worker safety during mobilization and demobilization, and effects of landfill type waste on the process (time to remediate, subsidence potential, underground fires, etc.). By performing this treatability study, uncertainties associated with ISTD as a selected remedy will be reduced, providing a better foundation of remedial recommendations and ultimate selection of remedial actions for the SDA.

  4. Using pancreas tissue slices for in situ studies of islet of Langerhans and acinar cell biology.

    PubMed

    Marciniak, Anja; Cohrs, Christian M; Tsata, Vasiliki; Chouinard, Julie A; Selck, Claudia; Stertmann, Julia; Reichelt, Saskia; Rose, Tobias; Ehehalt, Florian; Weitz, Jürgen; Solimena, Michele; Slak Rupnik, Marjan; Speier, Stephan

    2014-12-01

    Studies on the cellular function of the pancreas are typically performed in vitro on its isolated functional units, the endocrine islets of Langerhans and the exocrine acini. However, these approaches are hampered by preparation-induced changes of cell physiology and the lack of an intact surrounding. We present here a detailed protocol for the preparation of pancreas tissue slices. This procedure is less damaging to the tissue and faster than alternative approaches, and it enables the in situ study of pancreatic endocrine and exocrine cell physiology in a conserved environment. Pancreas tissue slices facilitate the investigation of cellular mechanisms underlying the function, pathology and interaction of the endocrine and exocrine components of the pancreas. We provide examples for several experimental applications of pancreas tissue slices to study various aspects of pancreas cell biology. Furthermore, we describe the preparation of human and porcine pancreas tissue slices for the validation and translation of research findings obtained in the mouse model. Preparation of pancreas tissue slices according to the protocol described here takes less than 45 min from tissue preparation to receipt of the first slices.

  5. Trade Study of Five In-Situ Propellant Production System for a Mars Sample Return Mission

    NASA Technical Reports Server (NTRS)

    Green, S. T.; Deffenbaugh, D. M.; Miller, M. A.

    1999-01-01

    One of the goals of NASA''s HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today''s technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study:(1) Zirconia cell with methanol synthesis, (2) Reverse water gas shift (RWGS) with water electrolysis and methanol synthesis, (3) Sabatier process for methane production with water electrolysis, (4) Sabatier process with water electrolysis and partial methane pyrolysis, and (5) Sabatier/RWGS combination with water electrolysis. These systems have been the subject of numerous previous analytical studies and laboratory demonstrations. In this investigation, the systems are objectively compared on the basis of thermochemical performance models using a commonly used chemical plant analysis software package. The realistic effects of incomplete chemical conversion and gas phase separator performance are included in these models. This study focuses on the chemical processing and product separation subsystems. The CO2 compression upstream of the chemical plane and the liquefaction/storage components are not included here.

  6. Relationships Between Watershed Emergy Flow and Coastal New England Salt Marsh Structure, Function, and Condition

    EPA Science Inventory

    This study evaluated the link between watershed activities and salt marsh structure, function, and condition using spatial emergy flow density (areal empower density) in the watershed and field data from 10 tidal salt marshes in Narragansett Bay, RI. The field-collected data wer...

  7. Structure function analysis of two-scale Scalar Ramps. Part I: Theory and Modeling

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Structure functions are used to study the dissipation and inertial range scales of turbulent energy, to parameterize remote turbulence measurements, and to characterize ramp features in the turbulent field. The ramp features are associated with turbulent coherent structures, which dominate energy an...

  8. Airborne Sunphotometer Studies of Aerosol Properties and Effects, Including Closure Among Satellite, Suborbital Remote, and In situ Measurements

    NASA Technical Reports Server (NTRS)

    Russlee, Philip B.; Schmid, B.; Redemann, J.; Livingston, J. M.; Bergstrom, R. W.; Ramirez, S. A.; Hipskind, R. Stephen (Technical Monitor)

    2001-01-01

    Airborne sunphotometry has been used to measure aerosols from North America, Europe, and Africa in coordination with satellite and in situ measurements in TARFOX (1996), ACE-2 (1997), PRIDE (2000), and SAFARI 2000. Similar coordinated measurements of Asian aerosols are being conducted this spring in ACE-Asia and are planned for North American aerosols this summer in CLAMS. This paper summarizes the approaches used, key results, and implications for aerosol properties and effects, such as single scattering albedo and regional radiative forcing. The approaches exploit the three-dimensional mobility of airborne sunphotometry to access satellite scenes over diverse surfaces (including open ocean with and without sunglint) and to match exactly the atmospheric layers sampled by airborne in situ measurements and other radiometers. These measurements permit tests of the consistency, or closure, among such diverse measurements as aerosol size-resolved chemical composition; number or mass concentration; light extinction, absorption, and scattering (total, hemispheric back and 180 deg.); and radiative fluxes. In this way the airborne sunphotometer measurements provide a key link between satellite and in situ measurements that helps to understand any discrepancies that are found. These comparisons have led to several characteristic results. Typically these include: (1) Better agreement among different types of remote measurements than between remote and in situ measurements. (2) More extinction derived from transmission measurements than from in situ measurements. (3) Larger aerosol absorption inferred from flux radiometry than from in situ measurements. Aerosol intensive properties derived from these closure studies have been combined with satellite-retrieved fields of optical depth to produce fields of regional radiative forcing. We show results for the North Atlantic derived from AVHRR optical depths and aerosol intensive properties from TARFOX and ACE-2. Companion papers

  9. Revisiting Stochastic Variability of AGNs with Structure Functions

    NASA Astrophysics Data System (ADS)

    Kozłowski, Szymon

    2016-08-01

    Discrepancies between reported structure function (SF) slopes and their overall flatness as compared to the expectations from the damped random walk (DRW) model, which generally well describes the variability of active galactic nuclei (AGNs), have triggered us to study this problem in detail. We review common AGN variability observables and identify their most common problems. Equipped with this knowledge, we study ˜9000 r-band AGN light curves from Stripe 82 of the Sloan Digital Sky Survey, using SFs described by stochastic processes with the power exponential covariance matrix of the signal. We model the “subensemble” SFs in the redshift-absolute magnitude bins with the full SF equation (including the turnover and the noise part) and a single power law (SPL; in the “red noise regime” after subtracting the noise term). The distribution of full-equation SF (SPL) slopes peaks at γ =0.55+/- 0.08 (0.52 ± 0.06) and is consistent with the DRW model. There is a hint of a weak correlation of γ with the luminosity and a lack of correlation with the black hole mass. The typical decorrelation timescale in the optical is τ =0.97+/- 0.46 year. The SF amplitude at one year obtained from the SPL fitting is {{SF}}0=0.22+/- 0.06 mag and is overestimated because the SF is already at the turnover part, so the true value is {{SF}}0=0.20+/- 0.06 mag. The asymptotic variability is {{SF}}∞ =0.25+/- 0.06 mag. It is strongly anticorrelated with both the luminosity and the Eddington ratio and is correlated with the black hole mass. The reliability of these results is fortified with Monte Carlo simulations.

  10. Revisiting Stochastic Variability of AGNs with Structure Functions

    NASA Astrophysics Data System (ADS)

    Kozłowski, Szymon

    2016-08-01

    Discrepancies between reported structure function (SF) slopes and their overall flatness as compared to the expectations from the damped random walk (DRW) model, which generally well describes the variability of active galactic nuclei (AGNs), have triggered us to study this problem in detail. We review common AGN variability observables and identify their most common problems. Equipped with this knowledge, we study ˜9000 r-band AGN light curves from Stripe 82 of the Sloan Digital Sky Survey, using SFs described by stochastic processes with the power exponential covariance matrix of the signal. We model the “subensemble” SFs in the redshift–absolute magnitude bins with the full SF equation (including the turnover and the noise part) and a single power law (SPL; in the “red noise regime” after subtracting the noise term). The distribution of full-equation SF (SPL) slopes peaks at γ =0.55+/- 0.08 (0.52 ± 0.06) and is consistent with the DRW model. There is a hint of a weak correlation of γ with the luminosity and a lack of correlation with the black hole mass. The typical decorrelation timescale in the optical is τ =0.97+/- 0.46 year. The SF amplitude at one year obtained from the SPL fitting is {{SF}}0=0.22+/- 0.06 mag and is overestimated because the SF is already at the turnover part, so the true value is {{SF}}0=0.20+/- 0.06 mag. The asymptotic variability is {{SF}}∞ =0.25+/- 0.06 mag. It is strongly anticorrelated with both the luminosity and the Eddington ratio and is correlated with the black hole mass. The reliability of these results is fortified with Monte Carlo simulations.

  11. Novel high-temperature reactors for in situ studies of three-way catalysts using turbo-XAS.

    PubMed

    Guilera, Gemma; Gorges, Bernard; Pascarelli, Sakura; Vitoux, Hugo; Newton, Mark A; Prestipino, Carmelo; Nagai, Yasutaka; Hara, Naoyuki

    2009-09-01

    Two novel high-temperature reactors for in situ X-ray absorption spectroscopy (XAS) measurements in fluorescence are presented, each of them being optimized for a particular purpose. The powerful combination of these reactors with the turbo-XAS technique used in a dispersive-XAS beamline permits the study of commercial three-way catalysts under realistic gas composition and temporal conditions.

  12. Bioreactor tests preliminary to landfill in situ aeration: A case study

    SciTech Connect

    Raga, Roberto; Cossu, Raffaello

    2013-04-15

    Highlights: ► Carbon and nitrogen mass balances in aerated landfill simulation reactors. ► Waste stabilization in aerated landfill simulation reactors. ► Effect of temperature on biodegradation processes in aerated landfills. - Abstract: Lab scale tests in bioreactor were carried out in the framework of the characterization studies of a landfill where in situ aeration (possibly followed by landfill mining) had been proposed as part of the novel waste management strategy in a region in northern Italy. The tests were run to monitor the effects produced by aerobic conditions at different temperatures on waste sampled at different depths in the landfill, with focus on the carbon and nitrogen conversion during aeration. Temperatures ranging from 35 to 45 °C were chosen, in order to evaluate possible inhibition of biodegradation processes (namely nitrification) at 45 °C in the landfill. The results obtained showed positive effects of the aeration on leachate quality and a significant reduction of waste biodegradability. Although a delay of biodegradation processes was observed in the reactor run at 45 °C, biodegradation rates increased after 2 months of aeration, providing very low values of the relevant parameters (as in the other aerated reactors) by the end of the study. Mass balances were carried out for TOC and N-NH{sub 4}{sup +}; the findings obtained were encouraging and provided evidence of the effectiveness of carbon and nitrogen conversion processes in the aerated landfill simulation reactors.

  13. Integration of space and in situ observations to study global climate change

    NASA Technical Reports Server (NTRS)

    Bengtsson, L.; Shukla, J.

    1988-01-01

    The use of model-based global data sets of atmospheric circulation for studying fundamental dynamical and physical processes is discussed, focusing on limitations of the available model-based data sets. Data from the Global Weather Experiment in 1979 were analyzed by two authorized level IIIb data centers in 1980 and in 1981. The analyses led to difference in data-sparse regions such as the tropics. Study areas which can be addressed by an internally-consistent long-term multivariate data set for the atmospheric circulation are considered, including mean climate, forcing for the ocean models, global hydrological cycle, atmospheric energetics, intraseasonal variability, land surface processes, and structure and variability of vertical velocity, divergence, and diabatic heating. It is concluded that the most comprehensive technique for integrating space and in situ observations to produce this type of data set would be a four-dimensional data assimilation system with a realistic physical model of the type employed in operational numerical weather prediction.

  14. In situ synchrotron study of electromigration induced grain rotations in Sn solder joints.

    PubMed

    Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

    2016-01-01

    Here we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in the grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature. PMID:27086863

  15. In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

    DOE PAGES

    Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

    2016-04-18

    In this paper we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in themore » grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.« less

  16. Deformation of nanotubes in peeling contact with flat substrate: An in situ electron microscopy nanomechanical study

    NASA Astrophysics Data System (ADS)

    Chen, Xiaoming; Zheng, Meng; Wei, Qing; Signetti, Stefano; Pugno, Nicola M.; Ke, Changhong

    2016-04-01

    Peeling of one-dimensional (1D) nanostructures from flat substrates is an essential technique in studying their adhesion properties. The mechanical deformation of the nanostructure in the peeling experiment is critical to the understanding of the peeling process and the interpretation of the peeling measurements, but it is challenging to measure directly and quantitatively at the nanoscale. Here, we investigate the peeling deformation of a bundled carbon nanotube (CNT) fiber by using an in situ scanning electron microscopy nanomechanical peeling technique. A pre-calibrated atomic force microscopy cantilever is utilized as the peeling force sensor, and its back surface acts as the peeling contact substrate. The nanomechanical peeling scheme enables a quantitative characterization of the deformational behaviors of the CNT fiber in both positive and negative peeling configurations with sub-10 nm spatial and sub-nN force resolutions. Nonlinear continuum mechanics models and finite element simulations are employed to interpret the peeling measurements. The measurements and analysis reveal that the structural imperfections in the CNT fiber may have a substantial influence on its peeling deformations and the corresponding peeling forces. The research findings reported in this work are useful to the study of mechanical and adhesion properties of 1D nanostructures by using nanomechanical peeling techniques.

  17. In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

    PubMed Central

    Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

    2016-01-01

    Here we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in the grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature. PMID:27086863

  18. In-situ early-age hydration study of sulfobelite cements by synchrotron powder diffraction

    SciTech Connect

    Álvarez-Pinazo, G.; Cuesta, A.; García-Maté, M.; Santacruz, I.; Losilla, E.R.; Fauth, F.; Aranda, M.A.G.; De la Torre, A.G.

    2014-02-15

    Eco-friendly belite calcium sulfoaluminate (BCSA) cement hydration behavior is not yet well understood. Here, we report an in-situ synchrotron X-ray powder diffraction study for the first hours of hydration of BCSA cements. Rietveld quantitative phase analysis has been used to establish the degree of reaction (α). The hydration of a mixture of ye'elimite and gypsum revealed that ettringite formation (α ∼ 70% at 50 h) is limited by ye'elimite dissolution. Two laboratory-prepared BCSA cements were also studied: non-active-BCSA and active-BCSA cements, with β- and α′{sub H}-belite as main phases, respectively. Ye'elimite, in the non-active-BCSA system, dissolves at higher pace (α ∼ 25% at 1 h) than in the active-BCSA one (α ∼ 10% at 1 h), with differences in the crystallization of ettringite (α ∼ 30% and α ∼ 5%, respectively). This behavior has strongly affected subsequent belite and ferrite reactivities, yielding stratlingite and other layered phases in non-active-BCSA. The dissolution and crystallization processes are reported and discussed in detail. -- Highlights: •Belite calcium sulfoaluminate cements early hydration mechanism has been determined. •Belite hydration strongly depends on availability of aluminum hydroxide. •Orthorhombic ye’elimite dissolved at a higher pace than cubic one. •Ye’elimite larger reaction degree yields stratlingite formation by belite reaction. •Rietveld method quantified gypsum, anhydrite and bassanite dissolution rates.

  19. An in situ annealing study of lead implanted single crystal calcium titanate

    NASA Astrophysics Data System (ADS)

    Rankin, J.; Hobbs, L. W.; Boatner, L. A.; White, C. W.

    1987-07-01

    In situ annealing studies have been carried out in ion-implanted single crystals of CaTiO3. These crystals were implanted along both the a and b axes of this orthorhombic perovskite structure (Pcmn). A VCR connected to a television system on a transmission electron microscope was used to observe the regrowth process and monitor the growth rate. Samples were annealed in a single tilt hot stage at approx. 475 C. The near-surface region of this material, approximately 190 nm, is turned amorphous by the implantation of 540 KeV Pb ions at a fluence of 1(10 to the 15th power/sq cm). Annealing at 475 C results in the epitaxial regrowth of the damaged region. The regrowth process begins at the original amorphous crystalline interface and proceeds outward to the surface. This phenomenon has been studied for implantations along both the <010> and the <100> crystallographic directions. For constant accelerating voltage and fluence of the implanted lead ions, transmission electron microscopy and Rutherford backscattering spectroscopy indicate that the regrowth rate is linear with time but strongly dependent on the oxygen partial pressure in the annealing atmosphere, and the implantation and subsequent regrowth direction. strongly dependent on the oxygen partial pressure in the annealing atmosphere, and the implantation and subsequent regrowth direction.

  20. In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

    NASA Astrophysics Data System (ADS)

    Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

    2016-04-01

    Here we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in the grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.

  1. In Situ Biological Contamination Studies of the Moon: Implications for Planetary Protection and Life Detection Missions

    NASA Astrophysics Data System (ADS)

    Glavin, Daniel P.; Dworkin, Jason P.; Lupisella, Mark; Williams, David R.; Kminek, Gerhard; Rummel, John D.

    2010-12-01

    NASA and ESA have outlined visions for solar system exploration that will include a series of lunar robotic precursor missions to prepare for, and support a human return to the Moon, and future human exploration of Mars and other destinations, including possibly asteroids. One of the guiding principles for exploration is to pursue compelling scientific questions about the origin and evolution of life. The search for life on objects such as Mars will require careful operations, and that all systems be sufficiently cleaned and sterilized prior to launch to ensure that the scientific integrity of extraterrestrial samples is not jeopardized by terrestrial organic contamination. Under the Committee on Space Research's (COSPAR's) current planetary protection policy for the Moon, no sterilization procedures are required for outbound lunar spacecraft, nor is there a different planetary protection category for human missions, although preliminary COSPAR policy guidelines for human missions to Mars have been developed. Future in situ investigations of a variety of locations on the Moon by highly sensitive instruments designed to search for biologically derived organic compounds would help assess the contamination of the Moon by lunar spacecraft. These studies could also provide valuable "ground truth" data for Mars sample return missions and help define planetary protection requirements for future Mars bound spacecraft carrying life detection experiments. In addition, studies of the impact of terrestrial contamination of the lunar surface by the Apollo astronauts could provide valuable data to help refine future Mars surface exploration plans for a human mission to Mars.

  2. Electrochemical differential photoacoustic cell to study in situ the growing process of porous materials.

    PubMed

    Gutiérrez, Adriana; Giraldo, Jairo; Velázquez-Hernández, Rubén; Mendoza-López, Maria Luisa; Espinosa-Arbeláez, Diego G; del Real, Alicia; Rodríguez-García, Mario E

    2010-01-01

    In order to study in situ the growing process of porous materials, a new electrochemical differential photoacoustic cell (DPC) was developed. This system allows to obtain the thermal signals coming from the growing process of the pores without the external noise component. The DPC is a good system to growth porous silicon and study their growing process with reproducibility. The porous silicon samples were obtained by using electrochemical etching of (100) n-type silicon wafers with different nominal resistivity values in the range of 1-25 Omega cm. The samples were formed in a solution of hydrofluoric acid and ethanol having a composition ratio of 1:1 in volume with etching voltage of 10 V and an etching time of 2 min using back illumination provided by a laser beam with a wavelength of 808 nm. The porous samples were characterized by means of Raman microscopy, x-ray diffraction, and scanning electron microscopy. The crystallite sizes of the samples were obtained through the analysis of the micro-Raman spectra using a phonon confinement model, and the analysis of the x-ray diffractograms.

  3. In Situ Biological Contamination Studies of the Moon: Implications for Planetary Protection and Life Detection Missions

    NASA Technical Reports Server (NTRS)

    Glavin, Daniel P.; Dworkin, Jason P.; Lupisella, Mark; Williams, David R.; Kminek, Gerhard; Rummel, John D.

    2010-01-01

    NASA and ESA have outlined visions for solar system exploration that will include a series of lunar robotic precursor missions to prepare for, and support a human return to the Moan, and future human exploration of Mars and other destinations, including possibly asteroids. One of the guiding principles for exploration is to pursue compelling scientific questions about the origin and evolution of life. The search for life on objects such as Mars will require careful operations, and that all systems be sufficiently cleaned and sterilized prior to launch to ensure that the scientific integrity of extraterrestrial samples is not jeopardized by terrestrial organic contamination. Under the Committee on Space Research's (COSPAR's) current planetary protection policy for the Moon, no sterilization procedures are required for outbound lunar spacecraft, nor is there a different planetary protection category for human missions, although preliminary C SPAR policy guidelines for human missions to Mars have been developed. Future in situ investigations of a variety of locations on the Moon by highly sensitive instruments designed to search for biologically derived organic compounds would help assess the contamination of the Moon by lunar spacecraft. These studies could also provide valuable "ground truth" data for Mars sample return missions and help define planetary protection requirements for future Mars bound spacecraft carrying life detection experiments. In addition, studies of the impact of terrestrial contamination of the lunar surface by the Apollo astronauts could provide valuable data to help refine future: Mars surface exploration plans for a human mission to Mars.

  4. An in situ annealing study of lead implanted single crystal calcium titanate

    NASA Astrophysics Data System (ADS)

    Rankin, J.; Hobbs, L. W.; Boatner, L. A.; White, C. W.

    1988-05-01

    In situ annealing studies have been carried out in ion-implanted single crystals of CaTiO 3. These crystals were implanted along both the a and b axes of this orthorhombic perovskite structure (Pcmn). Through the use of a Panasonic video cassette recorder connected to a Gatan television system on a JEOL 200CX transmission electron microscope, the regrowth process was observed and the growth rate monitored. Samples were annealed in a Gatan single tilt hot stage at ˜ 475° C. The near-surface region of this material, approximately 190 nm, is turned amorphous by the implantation of 540 keV Pb ions at a fluence of 1 × 10 15/cm 2. Annealing at 475° C results in the epitaxial regrowth of the damaged region. The regrowth process begins at the original amorphous/crystalline interface and proceeds outward to the surface. This phenomenon has been studied for implantations along both the <010> and the <100> crystallographic directions. For constant accelerating voltage and fluence of the implanted lead ions, transmission electron microscopy (TEM) and Rutherford backscattering spectroscopy (RBS) [C.W. White et al., to be published in Proc. of Radiation Effects in Insulators, Lyon, France, 1987.] indicate that the regrowth rate is linear with time but strongly dependent on the oxygen partial pressure in the annealing atmosphere, and the implantation and subsequent regrowth direction.

  5. Feasibility study of a photocatalytic reactor for in situ groundwater remediation of organic compounds.

    PubMed

    Lim, L L P; Lynch, R J

    2011-10-30

    Remediation of groundwater contaminated by gasoline leakage from underground structures is usually complicated and costly. This work describes the use of an underground reactor, in a sand tank, placed downgradient from a simulated leakage of MTBE and other gasoline components. The reactor, Honeycomb I, is full scale in the horizontal plane. It tested the remediation of MTBE plumes at various velocities and in the presence of other gasoline compounds (toluene, ethylbenzene and o-xylene - TEo-X). The overall performance of Honeycomb I was evaluated and the efficiencies of two different experimental scales were compared. The MTBE plume was longer but narrower with increasing groundwater to MTBE velocity ratio. MTBE appeared to have a minor co-solvent effect on the TEo-X migration as TEo-X migrated at the MTBE migration rate but at significantly low concentrations. The MTBE removal efficiency decreased by about 8% in the presence of TEo-X. The scaled up Honeycomb I successfully treated 212L of groundwater in 24 days and demonstrated its reliability over a 10-month period, achieving an overall 76% MTBE removal. In essence, this study demonstrated the potential of the immobilised photocatalytic reactor for in situ groundwater remediation, at the velocities tested in this study.

  6. Studies on in situ particulate reinforced tin-silver composite solders relevant to thermomechanical fatigue issues

    NASA Astrophysics Data System (ADS)

    Choi, Sunglak

    2001-07-01

    Global pressure based on environmental and health concerns regarding the use of Pb-bearing solder has forced the electronics industry to develop Pb-free alternative solders. Eutectic Sn-Ag solder has received much attention as a potential Pb-free candidate to replace Sn-Pb solder. Since introduction of surface mount technology, packaging density increased and the electronic devices became smaller. As a result, solders in electronic modules are forced to function as a mechanical connection as well as electrical contact. Solders are also exposed to very harsh service conditions such as automotive under-the-hood and aerospace applications. Solder joints experience thermomechanical fatigue, i.e. interaction of fatigue and creep, during thermal cycling due to temperature fluctuation in service conditions. Microstructural study on thermomechanical fatigue of the actual eutectic Sn-Ag and Sn-4Ag-0.5Cu solder joints was performed to better understand deformation and damage accumulation occurring during service. Incorporation of reinforcements has been pursued to improve the mechanical and particularly thermomechanical behavior of solders, and their service temperature capability. In-situ Sn-Ag composite solders were developed by incorporating Cu 6Sn5, Ni3Sn4, and FeSn2 particulate reinforcements in the eutectic Sn-Ag solder in an effort to enhance thermomechanical fatigue resistance. In-situ composite solders were investigated on the growth of interfacial intermetallic layer between solder and Cu substrate growth and creep properties. Solder joints exhibited significant deformation and damage on free surface and interior regions during thermomechanical fatigue. Cracks initiated on the free surface of the solder joints and propagated toward interior regions near the substrate of the solder joint. Crack grew along Sn grain boundaries by grain boundary sliding. There was significant residual stress within the solder joint causing more damage. Presence of small amount of Cu

  7. Regarding Chilcott's "Structural Functionalism as a Heuristic Device" Heuristically.

    ERIC Educational Resources Information Center

    Blot, Richard K.

    1998-01-01

    The heuristic value of Chilcott's essay lies less in its support for structural functionalism and more in its concern to reexamine theory in the work of earlier educational anthropologists for what earlier theories and practices can add to current research. (SLD)

  8. Cognitive Adequacy in Structural-Functional Theories of Language

    ERIC Educational Resources Information Center

    Butler, Christopher S.

    2008-01-01

    This paper discusses the role played by cognition in three linguistic theories which may be labelled as "structural-functional": Functional (Discourse) Grammar, Role and Reference Grammar and Systemic Functional Grammar. It argues that if we are to achieve true cognitive adequacy, we must go well beyond the grammar itself to include the processes…

  9. Structure function analysis of mirror fabrication and support errors

    NASA Astrophysics Data System (ADS)

    Hvisc, Anastacia M.; Burge, James H.

    2007-09-01

    Telescopes are ultimately limited by atmospheric turbulence, which is commonly characterized by a structure function. The telescope optics will not further degrade the performance if their errors are small compared to the atmospheric effects. Any further improvement to the mirrors is not economical since there is no increased benefit to performance. Typically the telescope specification is written in terms of an image size or encircled energy and is derived from the best seeing that is expected at the site. Ideally, the fabrication and support errors should never exceed atmospheric turbulence at any spatial scale, so it is instructive to look at how these errors affect the structure function of the telescope. The fabrication and support errors are most naturally described by Zernike polynomials or by bending modes for the active mirrors. This paper illustrates an efficient technique for relating this modal analysis to wavefront structure functions. Data is provided for efficient calculation of structure function given coefficients for Zernike annular polynomials. An example of this procedure for the Giant Magellan Telescope primary mirror is described.

  10. In situ studies of surface of NiFe2O4 catalyst during complete oxidation of methane

    DOE PAGES

    Zhang, Shiran; Shan, Junjun; Nie, Longhui; Nguyen, Luan; Wu, Zili; Tao, Franklin

    2015-12-21

    Here, NiFe2O4 with an inverse spinel structure exhibits high activity for a complete oxidation of methane at 400 °C–425 °C and a higher temperature. The surface of the catalyst and its adsorbates were well characterized with ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and in situ infrared spectroscopy (IR). In situ studies of the surface of NiFe2O4 using AP-XPS suggest the formation of methoxy-like and formate-like intermediates at a temperature lower than 200 °C, supported by the observed vibrational signatures in in situ IR studies. Evolutions of C1s photoemission features and the nominal atomic ratios of C/(Ni + Fe) of themore » catalyst surface suggest that the formate-like intermediate is transformed to product molecules CO2 and H2O in the temperature range of 250–300 °C. In situ studies suggest the formation of a spectator, – Olattice – CH2 – Olattice –. It strongly bonds to surface through C–O bonds and cannot be activated even at 400 °C.« less

  11. In situ studies of surface of NiFe2O4 catalyst during complete oxidation of methane

    NASA Astrophysics Data System (ADS)

    Zhang, Shiran; Shan, Junjun; Nie, Longhui; Nguyen, Luan; Wu, Zili; Tao, Franklin (Feng)

    2016-06-01

    NiFe2O4 with an inverse spinel structure exhibits high activity for a complete oxidation of methane at 400 °C-425 °C and a higher temperature. The surface of the catalyst and its adsorbates were well characterized with ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and in situ infrared spectroscopy (IR). In situ studies of the surface of NiFe2O4 using AP-XPS suggest the formation of methoxy-like and formate-like intermediates at a temperature lower than 200 °C, supported by the observed vibrational signatures in in situ IR studies. Evolutions of C1s photoemission features and the nominal atomic ratios of C/(Ni + Fe) of the catalyst surface suggest that the formate-like intermediate is transformed to product molecules CO2 and H2O in the temperature range of 250-300 °C. In situ studies suggest the formation of a spectator, - Olatticesbnd CH2sbnd Olattice -. It strongly bonds to surface through Csbnd O bonds and cannot be activated even at 400 °C.

  12. Combining vibrational biomolecular spectroscopy with chemometric techniques for the study of response and sensitivity of molecular structures/functional groups mainly related to lipid biopolymer to various processing applications.

    PubMed

    Yu, Gloria Qingyu; Yu, Peiqiang

    2015-09-01

    antisymmetric and symmetric CH3 and CH2 spectral region (ca. 3001-2799 cm(-1)) and carbonyl C=O ester band region (ca. 1771-1714 cm(-1)). This result indicated that the sensitivity to detect treatment difference by multivariate analysis of cluster analysis (CLA) and principal components analysis (PCA) might be lower compared with univariate molecular spectral analysis. In the future, other more sensitive techniques such as "discriminant analysis" could be considered for discriminating and classifying structural differences. Molecular spectroscopy can be used as non-invasive technique to study processing-induced structural changes that are related to lipid compound in legume seeds.

  13. First in situ TOF-PET study using digital photon counters for proton range verification

    NASA Astrophysics Data System (ADS)

    Cambraia Lopes, P.; Bauer, J.; Salomon, A.; Rinaldi, I.; Tabacchini, V.; Tessonnier, T.; Crespo, P.; Parodi, K.; Schaart, D. R.

    2016-08-01

    Positron emission tomography (PET) is the imaging modality most extensively tested for treatment monitoring in particle therapy. Optimal use of PET in proton therapy requires in situ acquisition of the relatively strong 15O signal due to its relatively short half-life (~2 min) and high oxygen content in biological tissues, enabling shorter scans that are less sensitive to biological washout. This paper presents the first performance tests of a scaled-down in situ time-of-flight (TOF) PET system based on digital photon counters (DPCs) coupled to Cerium-doped Lutetium Yttrium Silicate (LYSO:Ce) crystals, providing quantitative results representative of a dual-head tomograph that complies with spatial constraints typically encountered in clinical practice (2  ×  50°, of 360°, transaxial angular acceptance). The proton-induced activity inside polymethylmethacrylate (PMMA) and polyethylene (PE) phantoms was acquired within beam pauses (in-beam) and immediately after irradiation by an actively-delivered synchrotron pencil-beam, with clinically relevant 125.67 MeV/u, 4.6  ×  108 protons s-1, and 1010 total protons. 3D activity maps reconstructed with and without TOF information are compared to FLUKA simulations, demonstrating the benefit of TOF-PET to reduce limited-angle artefacts using a 382 ps full width at half maximum coincidence resolving time. The time-dependent contributions from different radionuclides to the total count-rate are investigated. We furthermore study the impact of the acquisition time window on the laterally integrated activity depth-profiles, with emphasis on 2 min acquisitions starting at different time points. The results depend on phantom composition and reflect the differences in relative contributions from the radionuclides originating from carbon and oxygen. We observe very good agreement between the shapes of the simulated and measured activity depth-profiles for post-beam protocols. However, our results also

  14. Nuclear Waste Package Mockups: A Study of In-situ Redox State

    NASA Astrophysics Data System (ADS)

    Helean, K.; Anderson, B.; Brady, P. V.

    2006-05-01

    The Yucca Mountain Repository (YMR), located in southern Nevada, is to be the first facility in the U.S. for the permanent disposal of high-level radioactive waste and spent nuclear fuels. Total system performance assessment(TSPA) has indicated that among the major radionuclides contributing to dose are Np, Tc, and I. These three radionuclides are mobile in most geochemical settings, and therefore sequestering them within the repository horizon is a priority for the Yucca Mountain Project (YMP). Corroding steel may offset radionuclide transport processes within the proposed waste packages at YMR by retaining radionuclides, creating locally reducing conditions, and reducing porosity. Ferrous iron has been shown to reduce UO22+ to UO2s, and some ferrous iron-bearing ion-exchange materials have been shown to adsorb radionuclides and heavy metals. Locally reducing conditions may lead to the reduction and subsequent immobilization of problematic dissolved species such as TcO4-, NpO2+, and UO22+ and can also inhibit corrosion of spent nuclear fuel. Water occluded during corrosion produces bulky corrosion products, and consequently less porosity is available for water and radionuclide transport. The focus of this study is on the nature of Yucca Mountain waste package corrosion products and their effects on local redox conditions, radionuclide transport, and porosity. In order to measure in-situ redox, six small-scale (1:40) waste package mockups were constructed using A516 and 316 stainless steel, the same materials as the proposed Yucca Mountain waste packages. The mockups are periodically injected with a simulated groundwater and the accumulated effluent and corrosion products are evaluated for their Fe(II)/Fe(III) content and mineralogy. Oxygen fugacities are then calculated and, thus, in-situ redox conditions are determined. Early results indicate that corrosion products are largely amorphous Fe-oxyhydroxides, goethite and magnetite. That information together with the

  15. First in situ TOF-PET study using digital photon counters for proton range verification.

    PubMed

    Cambraia Lopes, P; Bauer, J; Salomon, A; Rinaldi, I; Tabacchini, V; Tessonnier, T; Crespo, P; Parodi, K; Schaart, D R

    2016-08-21

    Positron emission tomography (PET) is the imaging modality most extensively tested for treatment monitoring in particle therapy. Optimal use of PET in proton therapy requires in situ acquisition of the relatively strong (15)O signal due to its relatively short half-life (~2 min) and high oxygen content in biological tissues, enabling shorter scans that are less sensitive to biological washout. This paper presents the first performance tests of a scaled-down in situ time-of-flight (TOF) PET system based on digital photon counters (DPCs) coupled to Cerium-doped Lutetium Yttrium Silicate (LYSO:Ce) crystals, providing quantitative results representative of a dual-head tomograph that complies with spatial constraints typically encountered in clinical practice (2  ×  50°, of 360°, transaxial angular acceptance). The proton-induced activity inside polymethylmethacrylate (PMMA) and polyethylene (PE) phantoms was acquired within beam pauses (in-beam) and immediately after irradiation by an actively-delivered synchrotron pencil-beam, with clinically relevant 125.67 MeV/u, 4.6  ×  10(8) protons s(-1), and 10(10) total protons. 3D activity maps reconstructed with and without TOF information are compared to FLUKA simulations, demonstrating the benefit of TOF-PET to reduce limited-angle artefacts using a 382 ps full width at half maximum coincidence resolving time. The time-dependent contributions from different radionuclides to the total count-rate are investigated. We furthermore study the impact of the acquisition time window on the laterally integrated activity depth-profiles, with emphasis on 2 min acquisitions starting at different time points. The results depend on phantom composition and reflect the differences in relative contributions from the radionuclides originating from carbon and oxygen. We observe very good agreement between the shapes of the simulated and measured activity depth-profiles for post-beam protocols. However, our results

  16. Studying the vertical aerosol extinction coefficient by comparing in situ airborne data and elastic backscatter lidar

    NASA Astrophysics Data System (ADS)

    Rosati, Bernadette; Herrmann, Erik; Bucci, Silvia; Fierli, Federico; Cairo, Francesco; Gysel, Martin; Tillmann, Ralf; Größ, Johannes; Gobbi, Gian Paolo; Di Liberto, Luca; Di Donfrancesco, Guido; Wiedensohler, Alfred; Weingartner, Ernest; Virtanen, Annele; Mentel, Thomas F.; Baltensperger, Urs

    2016-04-01

    Vertical profiles of aerosol particle optical properties were explored in a case study near the San Pietro Capofiume (SPC) ground station during the PEGASOS Po Valley campaign in the summer of 2012. A Zeppelin NT airship was employed to investigate the effect of the dynamics of the planetary boundary layer at altitudes between ˜ 50 and 800 m above ground. Determined properties included the aerosol particle size distribution, the hygroscopic growth factor, the effective index of refraction and the light absorption coefficient. The first three parameters were used to retrieve the light scattering coefficient. Simultaneously, direct measurements of both the scattering and absorption coefficient were carried out at the SPC ground station. Additionally, a single wavelength polarization diversity elastic lidar system provided estimates of aerosol extinction coefficients using the Klett method to accomplish the inversion of the signal, for a vertically resolved comparison between in situ and remote-sensing results. Note, however, that the comparison was for the most part done in the altitude range where the overlap function is incomplete and accordingly uncertainties are larger. First, the airborne results at low altitudes were validated with the ground measurements. Agreement within approximately ±25 and ±20 % was found for the dry scattering and absorption coefficient, respectively. The single scattering albedo, ranged between 0.83 and 0.95, indicating the importance of the absorbing particles in the Po Valley region. A clear layering of the atmosphere was observed during the beginning of the flight (until ˜ 10:00 LT - local time) before the mixing layer (ML) was fully developed. Highest extinction coefficients were found at low altitudes, in the new ML, while values in the residual layer, which could be probed at the beginning of the flight at elevated altitudes, were lower. At the end of the flight (after ˜ 12:00 LT) the ML was fully developed, resulting in

  17. Nuclear Waste Package Mockups: A Study of In-Situ Redox State

    SciTech Connect

    K. B. Helean; B.E. ANderson; P.V. Brady

    2006-05-15

    The proposed Yucca Mountain Repository (YMR), located in southern Nevada, is to be the first facility in the US for the permanent disposal of high-level radioactive waste and spent nuclear fuels. Performance assessments have indicated that among the major radionuclides contributing to dose to a Reasonably Maximally Exposed Individual are Np, Tc, and I. These three radionuclides are mobile in most geochemical settings, and therefore sequestering them within the repository horizon would provide an effective limit to their migration. Corroding steel may offset radionuclide transport processes within the proposed waste packages at YMR by retaining radionuclides, creating locally reducing conditions, and reducing porosity. Ferrous iron containing materials such as magnetite have been shown to reduce UO{sub 2}{sup 2+} to UO{sub 2(s)}, and some ferrous iron-bearing ion-exchange materials have been shown to adsorb radionuclides and heavy metals (e.g. green rust). Locally reducing conditions may lead to the reduction and subsequent immobilization of problematic dissolved species such as TcO{sub 4}{sup -}, NpO{sub 2}{sup +}, and UO{sub 2}{sup 2+} and can also inhibit corrosion of spent nuclear fuel. Water occluded during corrosion produces bulky corrosion products, and consequently less porosity is available for water and radionuclide transport. The focus of this study is on the nature of Yucca Mountain waste package corrosion products and their effects on local redox conditions, radionuclide transport, and porosity. In order to measure in-situ redox, six small-scale (1:40) waste package mockups were constructed using A516 and 316 stainless steel, the same materials as the proposed Yucca Mountain waste packages. The mockups are periodically injected with a simulated groundwater and the accumulated effluent and corrosion products are evaluated for their Fe(II)/Fe(III) content and mineralogy. Oxygen fugacities are then calculated and, thus, in-situ redox conditions are

  18. First in situ TOF-PET study using digital photon counters for proton range verification

    NASA Astrophysics Data System (ADS)

    Cambraia Lopes, P.; Bauer, J.; Salomon, A.; Rinaldi, I.; Tabacchini, V.; Tessonnier, T.; Crespo, P.; Parodi, K.; Schaart, D. R.

    2016-08-01

    Positron emission tomography (PET) is the imaging modality most extensively tested for treatment monitoring in particle therapy. Optimal use of PET in proton therapy requires in situ acquisition of the relatively strong 15O signal due to its relatively short half-life (~2 min) and high oxygen content in biological tissues, enabling shorter scans that are less sensitive to biological washout. This paper presents the first performance tests of a scaled-down in situ time-of-flight (TOF) PET system based on digital photon counters (DPCs) coupled to Cerium-doped Lutetium Yttrium Silicate (LYSO:Ce) crystals, providing quantitative results representative of a dual-head tomograph that complies with spatial constraints typically encountered in clinical practice (2  ×  50°, of 360°, transaxial angular acceptance). The proton-induced activity inside polymethylmethacrylate (PMMA) and polyethylene (PE) phantoms was acquired within beam pauses (in-beam) and immediately after irradiation by an actively-delivered synchrotron pencil-beam, with clinically relevant 125.67 MeV/u, 4.6  ×  108 protons s‑1, and 1010 total protons. 3D activity maps reconstructed with and without TOF information are compared to FLUKA simulations, demonstrating the benefit of TOF-PET to reduce limited-angle artefacts using a 382 ps full width at half maximum coincidence resolving time. The time-dependent contributions from different radionuclides to the total count-rate are investigated. We furthermore study the impact of the acquisition time window on the laterally integrated activity depth-profiles, with emphasis on 2 min acquisitions starting at different time points. The results depend on phantom composition and reflect the differences in relative contributions from the radionuclides originating from carbon and oxygen. We observe very good agreement between the shapes of the simulated and measured activity depth-profiles for post-beam protocols. However, our results also

  19. Structure-function relationship of lapemis toxin: a synthetic approach.

    PubMed

    Miller, R A; Tu, A T

    1991-11-15

    The synthetic approach to the structure-function relationship of lapemis toxin has been very useful in clarifying the important binding regions. To identify the neurotoxic binding domain(s) of lapemis toxin, several peptides were synthesized using the 9-fluorenylmethoxycarbonyl protocols. These peptides were based on the sequence of lapemis toxin, a 60-amino-acid, short-chain postsynaptic neurotoxin found in sea snake (Lapemis hardwickii) venom. The peptides were purified using high-performance liquid chromatography and sequenced to verify the correct synthesis, isolation, and purity. The synthetic peptide names and single letter sequences were Peptide A1 (15 mer) CCNQQSSQPKTTTNC Peptide B1 (18 mer) CYKKTWSDHRGTRIERGC Peptide B2 (16 mer) YKKTWSDHRGTRIERG Peptide C1 (12 mer) CPQVKPGIKLEC Peptide NS (20 mer) EACDFGHIKLMNPQRSTVWY. The peptide NS (nonsense peptide) sequence was arbitrarily determined and used as a control peptide. Biological activities of the synthetic peptides were determined by in vivo as well as by in vitro assay methods. For the in vivo assay, lethality was determined by intravenous injection in mice (Swiss Webster). For the in vitro assay, peptide binding to the Torpedo californica nicotinic acetylcholine receptor was determined. The peptides were found to be nontoxic at approximately 114 times the known LD50 of lapemis toxin. Binding studies with 125I-radiolabeled lapemis toxin and tyrosine-containing peptides indicated that lapemis toxin and peptide B1 bound the receptor, while the other peptides had no detectable binding. The central loop domain of lapemis toxin (peptide B1) plays a dominate role in the toxin's binding ability to the receptor. These results and the hydrophilicity analysis predict peptide B1 may serve as an antagonist or antigen to neutralize the neurotoxin effects in vivo.

  20. Structure-function relationship of king cobra cathelicidin.

    PubMed

    Zhang, Yong; Zhao, Hui; Yu, Guo-Yu; Liu, Xiao-Dong; Shen, Ji-Hong; Lee, Wen-Hui; Zhang, Yun

    2010-08-01

    King cobra cathelicidin (OH-CATH) is composed of 34 amino acid residues having strong antibacterial and very weak hemolytic activities as reported by us recently. OH-CATH can be served as a valuable template to develop novel therapeutic drugs. In this study, OH-CATH and six of its analogs were synthesized to explore their structure-function relationships based on their bactericidal and hemolytic activities. Experimental results of OH-CATH(3-34) and OH-CATH(5-34) indicated that the N-terminal 4 amino acid residues of OH-CATH played an important role on its hemolytic activity but had weak effects on its bactericidal activity. Among OH-CATH and its analogs, OH-CATH(5-34) had the lowest hemolytic activity while maintained strong antimicrobial activity. To evaluate its potential usage, the biological activities of OH-CATH(5-34) were compared with those of pexiganan. The bactericidal activity of OH-CATH(5-34) against 5 different species (11 laboratory strains) was 2-4 times stronger than that of pexiganan (4-16 microg/ml vs 8-32 microg/ml). Hemolytic activity of OH-CATH(5-34) against human erythrocytes was 0.69% while that of pexiganan was 16.5% at the dosage of 200 microg/ml. OH-CATH(5-34) showed very weak cytotoxic activities against primary rabbit ventricular endothelial cells and four human cancer cell lines whereas pexiganan showed strong cytotoxic activity against these five cell lines (IC(50)=20-90 microg/ml). The intravenous LD(50) value of OH-CATH(5-34) on mice was 7-fold higher than that of pexiganan (175 mg/kg vs 25mg/kg). Taken together, our results suggested that OH-CATH(5-34) should be considered as an excellent candidate for developing therapeutic drugs. PMID:20576537

  1. Structure-function relationship of king cobra cathelicidin.

    PubMed

    Zhang, Yong; Zhao, Hui; Yu, Guo-Yu; Liu, Xiao-Dong; Shen, Ji-Hong; Lee, Wen-Hui; Zhang, Yun

    2010-08-01

    King cobra cathelicidin (OH-CATH) is composed of 34 amino acid residues having strong antibacterial and very weak hemolytic activities as reported by us recently. OH-CATH can be served as a valuable template to develop novel therapeutic drugs. In this study, OH-CATH and six of its analogs were synthesized to explore their structure-function relationships based on their bactericidal and hemolytic activities. Experimental results of OH-CATH(3-34) and OH-CATH(5-34) indicated that the N-terminal 4 amino acid residues of OH-CATH played an important role on its hemolytic activity but had weak effects on its bactericidal activity. Among OH-CATH and its analogs, OH-CATH(5-34) had the lowest hemolytic activity while maintained strong antimicrobial activity. To evaluate its potential usage, the biological activities of OH-CATH(5-34) were compared with those of pexiganan. The bactericidal activity of OH-CATH(5-34) against 5 different species (11 laboratory strains) was 2-4 times stronger than that of pexiganan (4-16 microg/ml vs 8-32 microg/ml). Hemolytic activity of OH-CATH(5-34) against human erythrocytes was 0.69% while that of pexiganan was 16.5% at the dosage of 200 microg/ml. OH-CATH(5-34) showed very weak cytotoxic activities against primary rabbit ventricular endothelial cells and four human cancer cell lines whereas pexiganan showed strong cytotoxic activity against these five cell lines (IC(50)=20-90 microg/ml). The intravenous LD(50) value of OH-CATH(5-34) on mice was 7-fold higher than that of pexiganan (175 mg/kg vs 25mg/kg). Taken together, our results suggested that OH-CATH(5-34) should be considered as an excellent candidate for developing therapeutic drugs.

  2. In Situ Study of Strain-Dependent Ion Conductivity of Stretchable Polyethylene Oxide Electrolyte.

    PubMed

    Kelly, Taylor; Ghadi, Bahar Moradi; Berg, Sean; Ardebili, Haleh

    2016-01-01

    There is a strong need in developing stretchable batteries that can accommodate stretchable or irregularly shaped applications including medical implants, wearable devices and stretchable electronics. Stretchable solid polymer electrolytes are ideal candidates for creating fully stretchable lithium ion batteries mainly due to their mechanical and electrochemical stability, thin-film manufacturability and enhanced safety. However, the characteristics of ion conductivity of polymer electrolytes during tensile deformation are not well understood. Here, we investigate the effects of tensile strain on the ion conductivity of thin-film polyethylene oxide (PEO) through an in situ study. The results of this investigation demonstrate that both in-plane and through-plane ion conductivities of PEO undergo steady and linear growths with respect to the tensile strain. The coefficients of strain-dependent ion conductivity enhancement (CSDICE) for in-plane and through-plane conduction were found to be 28.5 and 27.2, respectively. Tensile stress-strain curves and polarization light microscopy (PLM) of the polymer electrolyte film reveal critical insights on the microstructural transformation of stretched PEO and the potential consequences on ionic conductivity. PMID:26831948

  3. In-situ STM study of sulfide adsorption on Au(100) in alkaline solution

    NASA Astrophysics Data System (ADS)

    Schlaup, Christian; Wandelt, Klaus

    2015-01-01

    The adsorption of sulfide on a Au(100) electrode from a 0.01 M NaOH + 0.5 mM Na2S electrolyte was studied by in situ scanning tunneling microscopy (STM) and cyclic voltammetry (CV). Starting with a sulfur free electrode surface at low potentials the subsequent formation of a p(2 × 2)-S, a c(2 × 6)-S and a c(2 × 2)-S phase was observed during potential increase. Only the p(2 × 2)-S (ΘS = 0.25 ML) phase appears as a single species phase; the c(2 × 6)-S (ΘS = 0.33 ML) and the c(2 × 2)-S (ΘS = 0. 5 ML) phase are accompanied by the simultaneous appearance of additional "dimer" particles. Concomitant changes of the step morphology and the results of the electrochemical characterization strongly suggest that these additional particles contain both, sulfur and gold atoms. Upon further potential increase the formation of a phase consisting of ring-like units was found, which is well known for Au(111) surfaces in the presence of sulfur. This phase is, by analogy, interpreted as a gold sulfide compound formed under electrochemical conditions.

  4. Structure and Dynamics of Domains in Ferroelectric Nanostructures. In-situ TEM Studies

    SciTech Connect

    Pan, Xiaoqing

    2015-06-30

    The goal of this project was to explore the structure and dynamic behaviors of ferroelectric domains in ferroelectric thin films and nanostructures by advanced transmission electron microscopy (TEM) techniques in close collaboration with phase field modeling. The experimental techniques used include aberration-corrected sub-Å resolution TEM and in-situ TEM using a novel scanning tunneling microscopy (STM) - TEM holder that allows the direct observation of nucleation and dynamic evolution of ferroelectric domains under applied electric field. Specifically, this project was aimed to (1) to study the roles of static electrical boundary conditions and electrical charge in controlling the equilibrium domain structures of BiFeO3 thin films with controlled substrate constraints, (2) to explore the fundamental mechanisms of ferroelectric domain nucleation, growth, and switching under an applied electric field in both uniform thin films and nanostructures, and to understand the roles of crystal defects such as dislocations and interfaces in these processes, (3) to understand the physics of ferroelectric domain walls and the influence of defects on the electrical switching of ferroelectric domains.

  5. Boron phosphide under pressure: In situ study by Raman scattering and X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Solozhenko, Vladimir L.; Kurakevych, Oleksandr O.; Le Godec, Yann; Kurnosov, Aleksandr V.; Oganov, Artem R.

    2014-07-01

    Cubic boron phosphide, BP, has been studied in situ by X-ray diffraction and Raman scattering up to 55 GPa at 300 K in a diamond anvil cell. The bulk modulus of B0 = 174(2) GPa has been established, which is in excellent agreement with our ab initio calculations. The data on Raman shift as a function of pressure, combined with equation-of-state (EOS) data, allowed us to estimate the Grüneisen parameters of the TO and LO modes of zinc-blende structure, γGTO= 1.26 and γGLO= 1.13, just like in the case of other AIIIBV diamond-like phases, for which γGTO> γGLO≅ 1. We also established that the pressure dependence of the effective electro-optical constant α is responsible for a strong change in relative intensities of the TO and LO modes from ITO/ILO ˜ 0.25 at 0.1 MPa to ITO/ILO ˜ 2.5 at 45 GPa, for which we also find excellent agreement between experiment and theory.

  6. Understanding the effects of PEMFC contamination from balance of plant assembly aids materials: In situ studies

    DOE PAGES

    Opu, Md.; Bender, G.; Macomber, Clay S.; Van Zee, J. W.; Dinh, Huyen N.

    2015-06-29

    In this study, in situ performance data were measured to assess the degree of contamination from leachates of five families of balance of plant (BOP) materials (i.e., 2-part adhesive, grease, thread lock/seal, silicone adhesive/seal and urethane adhesive/seal) broadly classified as assembly aids that may be used as adhesives and lubricants in polymer electrolyte membrane fuel cell (PEMFC) systems. Leachate solutions, derived from soaking the materials in deionized (DI) water at elevated temperature, were infused into the fuel cell to determine the effect of the leachates on fuel cell performance. During the contamination phase of the experiments, leachate solution was introducedmore » through a nebulizer into the cathode feed stream of a 50 cm2 PEMFC operating at 0.2 A/cm2 at 80°C and 32%RH. Voltage loss and high frequency resistance (HFR) were measured as a function of time and electrochemical surface area (ECA) before and after contamination were compared. Two procedures of recovery, one self-induced recovery with DI water and one driven recovery through cyclic voltammetry (CV) were investigated. Finally, performance results measured before and after contamination and after CV recovery are compared and discussed.« less

  7. Understanding the effects of PEMFC contamination from balance of plant assembly aids materials: In situ studies

    SciTech Connect

    Opu, Md.; Bender, G.; Macomber, Clay S.; Van Zee, J. W.; Dinh, Huyen N.

    2015-06-29

    In this study, in situ performance data were measured to assess the degree of contamination from leachates of five families of balance of plant (BOP) materials (i.e., 2-part adhesive, grease, thread lock/seal, silicone adhesive/seal and urethane adhesive/seal) broadly classified as assembly aids that may be used as adhesives and lubricants in polymer electrolyte membrane fuel cell (PEMFC) systems. Leachate solutions, derived from soaking the materials in deionized (DI) water at elevated temperature, were infused into the fuel cell to determine the effect of the leachates on fuel cell performance. During the contamination phase of the experiments, leachate solution was introduced through a nebulizer into the cathode feed stream of a 50 cm2 PEMFC operating at 0.2 A/cm2 at 80°C and 32%RH. Voltage loss and high frequency resistance (HFR) were measured as a function of time and electrochemical surface area (ECA) before and after contamination were compared. Two procedures of recovery, one self-induced recovery with DI water and one driven recovery through cyclic voltammetry (CV) were investigated. Finally, performance results measured before and after contamination and after CV recovery are compared and discussed.

  8. Boron phosphide under pressure: In situ study by Raman scattering and X-ray diffraction

    SciTech Connect

    Solozhenko, Vladimir L.; Kurakevych, Oleksandr O.; Le Godec, Yann; Kurnosov, Aleksandr V.; Oganov, Artem R.

    2014-07-21

    Cubic boron phosphide, BP, has been studied in situ by X-ray diffraction and Raman scattering up to 55 GPa at 300 K in a diamond anvil cell. The bulk modulus of B{sub 0} = 174(2) GPa has been established, which is in excellent agreement with our ab initio calculations. The data on Raman shift as a function of pressure, combined with equation-of-state (EOS) data, allowed us to estimate the Grüneisen parameters of the TO and LO modes of zinc-blende structure, γ{sub G}{sup TO }= 1.26 and γ{sub G}{sup LO }= 1.13, just like in the case of other A{sup III}B{sup V} diamond-like phases, for which γ{sub G}{sup TO }> γ{sub G}{sup LO }≅ 1. We also established that the pressure dependence of the effective electro-optical constant α is responsible for a strong change in relative intensities of the TO and LO modes from I{sub TO}/I{sub LO} ∼ 0.25 at 0.1 MPa to I{sub TO}/I{sub LO} ∼ 2.5 at 45 GPa, for which we also find excellent agreement between experiment and theory.

  9. In situ TEM Studies of the Initial Oxidation stage of Cu and Cu Alloy Thin Films

    NASA Astrophysics Data System (ADS)

    Yang, Judith; Kang, Yihong; Luo, Langli; Ciston, James; Stach, Eric; Zhou, Guangwen

    2012-02-01

    The fundamental understanding of oxidation at the nanoscale is important for the environmental stability of coating materials as well as processing of oxide nanostructures. Our previous studies show the epitaxial growth of Cu2O islands during the initial stages of oxidation of Cu thin films, where surface diffusion and strain impact the oxide development and morphologies. The addition of secondary elements changes the oxidation mechanism. If the secondary element is non-oxidizing, such as Au, it will limit the Cu2O island growth due to the depletion of Cu near the oxide islands. When the secondary element is oxidizing, for example Ni, the alloy will show more complex behaviour, where duplex oxide islands were observed. Nucleation density and growth rate of oxide islands are observed under various temperatures and oxygen partial pressures (pO2) as a function of time by in situ ultra high vacuum (UHV)-transmission electron microscopy (TEM). Our initial results of Cu-Ni(001) oxidation is that the oxide epitaxy and morphologies change as function of Ni concentration. For higher spatial resolution, we are examining the atomic scale oxidation by aberration-corrected ETEM with 1å resolution.

  10. In situ studies of transient photoconductivity in PbSe quantum dot solar cells

    NASA Astrophysics Data System (ADS)

    Gao, Jianbo; Koh, Weon-Kyu; Makarov, Nikolay; Pietryga, Jeffrey; Klimov, Victor

    2014-03-01

    PbSe quantum dot (QD) solar cells have attracted significant interest due to their band gap tunability, easy-processing and flexibility. Efficiencies have risen from 1% just a few years ago to nearly 9% today. Furthermore, the novel concept of multiple exciton generation (MEG) resulting from quantum confinement makes these materials scientifically interesting counterparts to bulk semiconductors. Recent observations of more than 100% external quantum efficiency in PbSe QD solar cells confirm direct relevance of MEG to practical photovoltaics. However, in order to take full advantage of this effect, one needs a better understanding of photogeneration dynamics and carrier transport in QD solar cells. In this talk, we discuss a new technique for in situ measurements of transient photoconductivity with fast response time (<50 ps) applied to study carrier transport and photogeneration dynamics in PbSe QD solar cells. These measurements complement traditional photoconductivity techniques such as time-resolved microwave conductivity and time-of-flight. Based on the analysis of temperature, excitation wavelength and electrical field dependence measurements, we derive parameters such as MEG efficiency, carrier lifetime, trap-free mobility and carrier emission rate from trap states.

  11. Neon Hydrate at High Pressure: an in-situ Neutron Diffraction Study

    NASA Astrophysics Data System (ADS)

    Yu, Xiaohui

    2013-03-01

    Clathrate hydrates are a group of ice-like, crystalline inclusion compounds which form through the combination of water and suitably sized ``guest'' molecules. There are mainly three crystallographic structures of the hydrate clathrate: SI, SII and SH, which are determined by the shape and size of the included gas molecular. However, when the neon gas pressure got increased to 0.48 GPa, we found that the neon gas could be enclathrate in the ice II frameworks which is totally different structure from the traditional cubic clathrate. Through the in-situ neutron diffraction study, the detail structure of Ne hydrate, including the atom positions, can be derived using the Rietveld refinements. The Ne atoms are just in the middle of H2O channels and sandwiches by two H2O rings The thermal equation of state was calculated and compared with pure ice II. We found that inclusion of Ne atoms could enlarge the ice II H2O hexagonal rings, however, shortened the H2O channels. Although the Ne atoms crystallized in ice II frameworks, the thermal vibration is significant compared to the host atoms. The distribution of Ne atoms are presented by MD simulations.

  12. Surface Characterization and in situ Protein Adsorption Studies on Carbene-Modified Polymers.

    PubMed

    Nelson, Geoffrey W; Parker, Emily M; Singh, Kulveer; Blanford, Christopher F; Moloney, Mark G; Foord, John S

    2015-10-13

    Polystyrene thin films were functionalized using a facile two-step chemical protocol involving carbene insertion followed by azo-coupling, permitting the introduction of a range of chemical functional groups, including aniline, hexyl, amine, carboxyl, phenyl, phosphonate diester, and ethylene glycol. X-ray photoelectron spectroscopy (XPS) confirmed the success of the two-step chemical modification with a grafting density of at least 1/10th of the typical loading density (10(14)-10(15)) of a self-assembled monolayer (SAM). In situ, real-time quartz crystal microbalance with dissipation (QCM-D) studies show that the dynamics of binding of bovine serum albumin (BSA) are different at each modified surface. Mass, viscoelastic, and kinetic data were analyzed, and compared to cheminformatic descriptors (i.e., c log P, polar surface area) typically used for drug discovery. Results show that functionalities may either resist or adsorb BSA, and uniquely influence its adsorption dynamics. It is concluded that carbene-based surface modification can usefully influence BSA binding dynamics in a manner consistent with, and more robust than, traditional systems based on SAM chemistry. PMID:26391812

  13. Fundamental study of spin-coating using in-situ analysis and simulation

    NASA Astrophysics Data System (ADS)

    Harumoto, Masahiko; Yoshida, Jun-ichi; Stokes, Harold; Tanaka, Yuji; Miyagi, Tadashi; Kaneyama, Koji; Pieczulewski, Charles; Asai, Masaya

    2015-03-01

    Spin coating has been used as a photoresist application method for many years, and consequently certain defects have been recognized through each resist generation; i-line, KrF, ArF, ArF immersion and, most recently, EUV. Last year we reported an in-situ analysis via high-speed video camera that proved to be useful for understanding defect formation such as non-uniformity spots within organic film coatings and post-develop water-mark defects. In this study, fingerprints known as `tiger stripes' around the wafer's edge were analyzed. This phenomenon, for example, is directly related to the wafer spin-speed and air-flow during the coat-processing. Utilizing a high-speed camera and 3D simulation, we reveal the mechanism of fingerprint generation for tiger stripe phenomena, confirm the mechanism with several different spin-speeds, and correlate these to defect inspection results. Furthermore, we will discuss the expansion to 450mmm wafers.

  14. An electrochemical in situ study of freezing and thawing of ionic liquids in carbon nanopores.

    PubMed

    Weingarth, Daniel; Drumm, Robert; Foelske-Schmitz, Annette; Kötz, Rüdiger; Presser, Volker

    2014-10-21

    Room temperature ionic liquids (RTILs) are an emerging class of electrolytes enabling high cell voltages and, in return, high energy density of advanced supercapacitors. Yet, the low temperature behavior, including freezing and thawing, is little understood when ions are confined in the narrow space of nanopores. This study shows that RTILs may show a tremendously different thermal behavior when comparing bulk with nanoconfined properties as a result of the increased surface energy of carbon pore walls. In particular, a continuous increase in viscosity is accompanied by slowed-down charge-discharge kinetics as seen with in situ electrochemical characterization. Freezing reversibly collapses the energy storage ability and thawing fully restores the initial energy density of the material. For the first time, a different thermal behavior in positively and negatively polarized electrodes is demonstrated. This leads to different freezing and melting points in the two electrodes. Compared to bulk, RTILs in the confinement of electrically charged nanopores show a high affinity for supercooling; that is, the electrode may freeze during heating. PMID:25201074

  15. Coarsening of Pd nanoparticles in an oxidizing atmosphere studied by in situ TEM

    NASA Astrophysics Data System (ADS)

    Simonsen, Søren Bredmose; Chorkendorff, Ib; Dahl, Søren; Skoglundh, Magnus; Helveg, Stig

    2016-06-01

    The coarsening of supported palladium nanoparticles in an oxidizing atmosphere was studied in situ by means of transmission electron microscopy (TEM). Specifically, the Pd nanoparticles were dispersed on a planar and amorphous Al2O3 support and were observed during the exposure to 10 mbar technical air at 650 °C. Time-resolved TEM image series reveal that the Pd nanoparticles were immobile and that a few percent of the nanoparticles grew or shrank, indicating a coarsening process mediated by the Ostwald ripening mechanism. The TEM image contrast suggests that the largest nanoparticles tended to wet the Al2O3 support to a higher degree than the smaller nanoparticles and that the distribution of projected particle sizes consequently broadens by the appearance of an asymmetric tail toward the larger particle sizes. A comparison with computer simulations based on a simple mean-field model for the Ostwald ripening process indicates that the observed change in the particle size distribution can be accounted for by wetting of the Al2O3 support by the larger Pd nanoparticles.

  16. In situ electrochemical digital holographic microscopy; a study of metal electrodeposition in deep eutectic solvents.

    PubMed

    Abbott, Andrew P; Azam, Muhammad; Ryder, Karl S; Saleem, Saima

    2013-07-16

    This study has shown for the first time that digital holographic microscopy (DHM) can be used as a new analytical tool in analysis of kinetic mechanism and growth during electrolytic deposition processes. Unlike many alternative established electrochemical microscopy methods such as probe microscopy, DHM is both the noninvasive and noncontact, the unique holographic imaging allows the observations and measurement to be made remotely. DHM also provides interferometric resolution (nanometer vertical scale) with a very short acquisition time. It is a surface metrology technique that enables the retrieval of information about a 3D structure from the phase contrast of a single hologram acquired using a conventional digital camera. Here DHM has been applied to investigate directly the electro-crystallization of a metal on a substrate in real time (in situ) from two deep eutectic solvent (DES) systems based on mixture of choline chloride and either urea or ethylene glycol. We show, using electrochemical DHM that the nucleation and growth of silver deposits in these systems are quite distinct and influenced strongly by the hydrogen bond donor of the DES. PMID:23751128

  17. Dispersion stabilization of silver nanoparticles in synthetic lung fluid studied under in situ conditions

    SciTech Connect

    MacCuspie, R.I.; Allen, A.J.; Hackley, V.A.

    2014-09-24

    The dispersion stabilization of silver nanoparticles (AgNPs) in synthetic lung fluid was studied to interrogate the effects on colloidal stability due to the principal constituents of the fluid. The colloidal stability of 20 nm citrate-AgNPs dispersed in the presence of each constituent of the synthetic lung fluid (individually, the complete fluid, and without additives) was observed during titration of increasing sodium chloride concentration. A variety of complementary in situ measurement techniques were utilized, including dynamic light scattering, ultraviolet-visible absorption spectroscopy, atomic force microscopy, and small-angle X-ray scattering, which provided a collective set of information that enabled far better understanding of the dispersion behavior in the fluid than any one technique alone. It was observed that AgNPs continued to adsorb bovine serum albumin (BSA) protein from the synthetic lung fluid solution as the sodium chloride concentration increased, until a maximum BSA coating was achieved prior to reaching the physiological sodium chloride concentration of 154 mmol L{sup -1}. BSA was determined to be the constituent of the synthetic lung fluid that is required to provide colloidal stability at high salt loadings, though the phospholipid constituent exerts a subtle effect. Additionally, as AgNPs are a distinctly different class of nanoparticles apart from the carbon nanotubes and titanium dioxide nanoparticles initially reported to be dispersible using this fluid, this work also demonstrates the broad applicability of synthetic lung fluid in providing stable dispersions for engineered nanoparticles for use in biological assays.

  18. Study of reverse osmosis for treating oil-shale in-situ wastewaters. Final report

    SciTech Connect

    Hicks, R.E.; Liang, L.

    1981-01-31

    The results of a study to determine the feasibility of using reverse osmosis for the treatment of the three major wastewater streams evolved during modified in-situ oil shale processing: gas condensate, retort water and excess mine drainage water, are presented in this report. Data was obtained from laboratory tests on real wastewaters treated with composite reverse osmosis membranes. It was found that reverse osmosis can be used to treat retort waters to a quality suitable for reuse within the plant while it can be used to treat excess mine drainage waters for discharge to a receiving stream. Furthermore, although reverse osmosis is also a feasible process for the treatment of gas condensate, a better treatment appears to be steam stripping which alone can produce a water of a quality suitable for plant reuse. The annual operating costs of treating mine drainage waters range from $2.00 to $2.30 per 1000 gallons of permeate while the costs of treating retort waters range from $2.70 to $2.90 per 1000 gallons of permeate, exclusive of the costs of concentrate disposal. The major uncertainty in the use of reverse osmosis for treating oil shale wastewaters is membrane lifetime. Recommendations are made for a field test program to determine the long term susceptibility of composite membranes to fouling and/or degradation.

  19. Time-resolved in situ XAS study of the preparation of supported gold clusters.

    PubMed

    Bus, Eveline; Prins, Roel; van Bokhoven, Jeroen A

    2007-07-01

    Incipient-wetness impregnation of gamma-Al(2)O(3) with HAuCl(4) and subsequent removal of chlorine with NaOH, and deposition-precipitation of HAuCl(4) on TiO(2) at pH 7 resulted in supported Au(3+) species. Time-resolved in situ XAS at the Au L(3) edge showed that the Al(2)O(3)-supported oxidic or hydroxidic species were reduced in hydrogen at 440 K to yield small metallic gold clusters. The Au(3+) precursor decomposed to metallic gold in inert atmosphere at 573 K and in oxidizing atmosphere above 623 K. In all atmospheres, initially small clusters were formed that gradually grew with increasing temperature. The TiO(2)-supported species were considerably less stable. In hydrogen and carbon monoxide, Au(0) clusters of 1 to 1.5 nm were formed at room temperature, which was the lowest temperature studied. In inert and oxidizing atmosphere, the Au(3+) precursor decomposed fully to metallic gold at 530 K, as shown by XAS and temperature-programmed experiments. Large clusters were obtained already in the initial stage of reduction. Residual chlorine inhibited the reduction and led to sintering of the gold clusters. Exposure of the TiO(2)-supported catalyst precursor to light or the X-ray beam led to partial reduction, and STEM showed that storage of the reduced gold clusters under ambient conditions led to agglomeration and bimodal cluster-size distributions. PMID:17579741

  20. In situ raman spectral mapping study on the microscale fibers in blue coral (Heliopora coerulea) skeletons.

    PubMed

    Zhang, Fenfen; Cai, Weiying; Zhu, Jichun; Sun, Zhenrong; Zhang, Jing

    2011-10-15

    The presence and localization of organic matrix associated with the aragonite phase in the fibers of blue coral Heliopora coerulea skeletons were studied by in situ microRaman mapping spectra, with a spatial resolution of ~0.3 μm. Spatial variations in the amounts and chemical compositions of the fibers were imaged. The results showed that the amide I and the α-helix of amide III were perpendicular to the c-axis of fibers' growth, whereas the β-turns/sheet of amide III was in the parallel conformation. Visible S-S and C-S bonds were consistent with the XANES results, which indicated the existence of organic sulfur in coral skeletons. Regular cyclic changes between aragonite and organic matrix refined a stepping growth mode of the fibers' biomineralization. An inorganic PO(4) bond was detected and exhibited the same concentration variation trends as the v(4) aragonite bands. Instead of providing an ocean P proxy on the subseasonal to centennial scale by LA-ICPMS, the possibility was raised of producing high resolution surface ocean phosphorus records on daily environmental variation via P/Ca variation cycles determined from Raman mapping data.

  1. In Situ Study of Strain-Dependent Ion Conductivity of Stretchable Polyethylene Oxide Electrolyte

    PubMed Central

    Kelly, Taylor; Ghadi, Bahar Moradi; Berg, Sean; Ardebili, Haleh

    2016-01-01

    There is a strong need in developing stretchable batteries that can accommodate stretchable or irregularly shaped applications including medical implants, wearable devices and stretchable electronics. Stretchable solid polymer electrolytes are ideal candidates for creating fully stretchable lithium ion batteries mainly due to their mechanical and electrochemical stability, thin-film manufacturability and enhanced safety. However, the characteristics of ion conductivity of polymer electrolytes during tensile deformation are not well understood. Here, we investigate the effects of tensile strain on the ion conductivity of thin-film polyethylene oxide (PEO) through an in situ study. The results of this investigation demonstrate that both in-plane and through-plane ion conductivities of PEO undergo steady and linear growths with respect to the tensile strain. The coefficients of strain-dependent ion conductivity enhancement (CSDICE) for in-plane and through-plane conduction were found to be 28.5 and 27.2, respectively. Tensile stress-strain curves and polarization light microscopy (PLM) of the polymer electrolyte film reveal critical insights on the microstructural transformation of stretched PEO and the potential consequences on ionic conductivity. PMID:26831948

  2. Metallic monoclinic phase in VO2 induced by electrochemical gating: In situ Raman study

    NASA Astrophysics Data System (ADS)

    Nath Gupta, Satyendra; Pal, Anand; Muthu, D. V. S.; Kumar, P. S. Anil; Sood, A. K.

    2016-07-01

    We report in situ Raman scattering studies of electrochemically top gated VO2 thin film to address metal-insulator transition (MIT) under gating. The room temperature monoclinic insulating phase goes to metallic state at a gate voltage of 2.6 V. However, the number of Raman modes do not change with electrolyte gating showing that the metallic phase is still monoclinic. The high-frequency Raman mode A g (7) near 616 cm-1 ascribed to V-O vibration of bond length 2.06 Å in VO6 octahedra hardens with increasing gate voltage and the B g (3) mode near 654 cm-1 softens. This shows that the distortion of the VO6 octahedra in the monoclinic phase decreases with gating. The time-dependent Raman data at fixed gate voltages of 1 V (for 50 minutes, showing enhancement of conductivity by a factor of 50) and 2 V (for 130 minutes, showing further increase in conductivity by a factor of 5) show similar changes in high-frequency Raman modes A g (7) and B g (3) as observed in gating. This slow change in conductance together with Raman frequency changes show that the governing mechanism for metalization is more likely due to the diffusion-controlled oxygen vacancy formation due to the applied electric field.

  3. In situ study of heavy ion induced radiation damage in NF616 (P92) alloy

    NASA Astrophysics Data System (ADS)

    Topbasi, Cem; Motta, Arthur T.; Kirk, Mark A.

    2012-06-01

    NF616 is a nominal 9Cr ferritic-martensitic steel that is amongst the primary candidates for cladding and duct applications in the Sodium-Cooled Fast Reactor, one of the Generation IV nuclear energy systems. In this study, an in situ investigation of the microstructure evolution in NF616 under heavy ion irradiation has been conducted. NF616 was irradiated to 8.4 dpa at 50 K and to 7.6 dpa at 473 K with 1 MeV Kr ions. Nano-sized defects first appeared as white dots in dark-field TEM images and their areal density increased until saturation (˜6 dpa). Dynamic observations at 50 K and 473 K showed appearance and disappearance of TEM-visible defect clusters under irradiation that continued above saturation dose. Quantitative analysis showed no significant change in the average size (˜3-4 nm) and distribution of defect clusters with increasing dose at 50 K and 473 K. These results indicate a cascade-driven process of microstructure evolution under irradiation in these alloys that involves both the formation of TEM-visible defect clusters by various degrees of cascade overlap and cascade induced defect cluster elimination. According to this mechanism, saturation of defect cluster density is reached when the rate of defect cluster formation by overlap is equal to the rate of cluster elimination during irradiation.

  4. Benzalkonium runoff from roofs treated with biocide products - In situ pilot-scale study.

    PubMed

    Gromaire, M C; Van de Voorde, A; Lorgeoux, C; Chebbo, G

    2015-09-15

    Roof maintenance practices often involve the application of biocide products to fight against moss, lichens and algae. The main component of these products is benzalkonium chloride, a mixture of alkyl benzyl dimethyl ammonium chlorides with mainly C12 and C14 alkyl chain lengths, which is toxic for the aquatic environment. This paper describes, on the basis of an in-situ pilot scale study, the evolution of roof runoff contamination over a one year period following the biocide treatment of roof frames. Results show a major contamination of roof runoff immediately after treatment (from 5 to 30 mg/L), followed by an exponential decrease. 175-375 mm of cumulated rainfall is needed before the runoff concentrations become less than EC50 values for fish (280 μg/l). The residual concentration in the runoff water remains above 4 μg/L even after 640 mm of rainfall. The level of benzalkonium ions leaching depends on the roofing material, with lower concentrations and total mass leached from ceramic tiles than from concrete tiles, and on the state of the tile (new or worn out). Mass balance calculations indicate that a large part of the mass of benzalkonium compounds applied to the tiles is lost, probably due to biodegradation processes.

  5. In Situ Study of Strain-Dependent Ion Conductivity of Stretchable Polyethylene Oxide Electrolyte

    NASA Astrophysics Data System (ADS)

    Kelly, Taylor; Ghadi, Bahar Moradi; Berg, Sean; Ardebili, Haleh

    2016-02-01

    There is a strong need in developing stretchable batteries that can accommodate stretchable or irregularly shaped applications including medical implants, wearable devices and stretchable electronics. Stretchable solid polymer electrolytes are ideal candidates for creating fully stretchable lithium ion batteries mainly due to their mechanical and electrochemical stability, thin-film manufacturability and enhanced safety. However, the characteristics of ion conductivity of polymer electrolytes during tensile deformation are not well understood. Here, we investigate the effects of tensile strain on the ion conductivity of thin-film polyethylene oxide (PEO) through an in situ study. The results of this investigation demonstrate that both in-plane and through-plane ion conductivities of PEO undergo steady and linear growths with respect to the tensile strain. The coefficients of strain-dependent ion conductivity enhancement (CSDICE) for in-plane and through-plane conduction were found to be 28.5 and 27.2, respectively. Tensile stress-strain curves and polarization light microscopy (PLM) of the polymer electrolyte film reveal critical insights on the microstructural transformation of stretched PEO and the potential consequences on ionic conductivity.

  6. Novel in-situ longitudinal model for the study of dentifrices on dental erosion-abrasion.

    PubMed

    Hara, Anderson T; Barlow, Ashley P; Eckert, George J; Zero, Domenick T

    2014-04-01

    A novel longitudinal erosion-abrasion in-situ model was proposed. In an exploratory test (phase 1) toothbrushing effect was investigated using a parallel design, whereas in the main study (phases 1 + 2), a crossover design tested the effect of fluoride dentifrice. In phase 1, 16 subjects (n = 5-6 subjects per group) wore partial dentures with enamel specimens for 28 d and adhered to one of the following treatment regimens: regimen A, erosion only; regimen B, erosion + toothbrushing with fluoride-containing dentifrice [1,100 ppm of fluoride as sodium fluoride (NaF)]; and regimen C, erosion + toothbrushing with placebo dentifrice (0 ppm fluoride). Erosion consisted of the exposure of specimens to grapefruit juice. In regimens B and C, toothbrushing was performed with the test dentifrices 5 min after erosion. For the main study a second phase was carried out in which subjects initially treated with regimen B were treated with regimen C, and vice versa (crossover, n = 11), repeating the same experimental protocol. Enamel wear was measured by optical profilometry at baseline and every 7 d thereafter. In the exploratory test (phase 1), no significant differences were observed among regimens at any of the study time-points. In the main study (phases 1 + 2), higher enamel wear was observed for regimen C than for regimen B. A significant trend was observed for the increase of enamel wear over time. Fluoridated dentifrice reduced the development of erosive-abrasive lesions. The proposed longitudinal model provided adequate responses for erosion-abrasion frequency and fluoride effects.

  7. Structure/function studies of phosphoryl transfer by phosphoenolpyruvate carboxykinase.

    PubMed

    Delbaere, Louis T J; Sudom, Athena M; Prasad, Lata; Leduc, Yvonne; Goldie, Hughes

    2004-03-11

    Phosphoenolpyruvate carboxykinase (PCK) catalyzes the conversion of oxaloacetate (OAA) to PEP and carbon dioxide with the subsequent conversion of nucleoside triphosphate to nucleoside diphosphate (NDP). The 1.9 A resolution structure of Escherichia coli PCK consisted of a 275-residue N-terminal domain and a 265-residue C-terminal domain with the active site located in a cleft between these domains. Each domain has an alpha/beta topology and the overall structure represents a new protein fold. Furthermore, PCK has a unique mononucleotide-binding fold. The 1.8 A resolution structure of the complex of ATP/Mg(2+)/oxalate with PCK revealed a 20 degrees hinge-like rotation of the N- and C-terminal domains, which closed the active site cleft. The ATP was found in the unusual syn conformation as a result of binding to the enzyme. Along with the side chain of Lys254, Mg(2+) neutralizes charges on the P beta and P gamma oxygen atoms of ATP and stabilizes an extended, eclipsed conformation of the P beta and P gamma phosphoryl groups. The sterically strained high-energy conformation likely lowers the free energy of activation for phosphoryl transfer. Additionally, the gamma-phosphoryl group becomes oriented in-line with the appropriate enolate oxygen atom, which strongly supports a direct S(N)2-type displacement of this gamma-phosphoryl group by the enolate anion. In the 2.0 A resolution structure of the complex of PCK/ADP/Mg(2+)/AlF(3), the AlF(3) moiety represents the phosphoryl group being transferred during catalysis. There are three positively charged groups that interact with the fluorine atoms, which are complementary to the three negative charges that would occur for an associative transition state. PMID:15023367

  8. Variegation in Arum italicum leaves. A structural-functional study.

    PubMed

    La Rocca, Nicoletta; Rascio, Nicoletta; Pupillo, Paolo

    2011-12-01

    The presence of pale-green flecks on leaves (speckling) is a frequent character among herbaceous species from shady places and is usually due to local loosening of palisade tissue (air space type of variegation). In the winter-green Arum italicum L. (Araceae), dark-green areas of variegated leaf blades are ca. 400 μm thick with a chlorophyll content of 1080 mg m⁻² and a palisade parenchyma consisting of a double layer of oblong cells. Pale-green areas are 25% thinner, have 26% less chlorophyll and contain a single, loose layer of short palisade cells. Full-green leaves generally present only one compact layer of cylindrical palisade cells and the same pigment content as dark-green sectors, but the leaf blade is 13% thinner. A spongy parenchyma with extensive air space is present in all leaf types. Green cells of all tissues have normal chloroplasts. Assays of photosynthetic activities by chlorophyll fluorescence imaging and O₂ exchange measurements showed that variegated pale-green and dark-green sectors as well as full-green leaves have comparable photosynthetic activities on a leaf area basis at saturating illumination. However, full-green leaves require a higher saturating light with respect to variegated sectors, and pale-green sectors support relatively higher photosynthesis rates on a chlorophyll basis. We conclude that i) variegation in this species depends on number and organization of palisade cell layers and can be defined as a "variable palisade" type, and ii) the variegated habit has no limiting effects on the photosynthetic energy budget of A. italicum, consistent with the presence of variegated plants side by side to full-green ones in natural populations.

  9. Challenges in computational studies of enzyme structure, function and dynamics.

    PubMed

    Carvalho, Alexandra T P; Barrozo, Alexandre; Doron, Dvir; Kilshtain, Alexandra Vardi; Major, Dan Thomas; Kamerlin, Shina Caroline Lynn

    2014-11-01

    In this review we give an overview of the field of Computational enzymology. We start by describing the birth of the field, with emphasis on the work of the 2013 chemistry Nobel Laureates. We then present key features of the state-of-the-art in the field, showing what theory, accompanied by experiments, has taught us so far about enzymes. We also briefly describe computational methods, such as quantum mechanics-molecular mechanics approaches, reaction coordinate treatment, and free energy simulation approaches. We finalize by discussing open questions and challenges.

  10. Run-In Behavior of Nanocrystalline Diamond Coatings Studied By in Situ Tribometry

    SciTech Connect

    Chromik, R.R.; Winfrey, A.L.; Luning, J.; Nemanich, R.J.; Wahl, K.J.

    2009-05-14

    The friction performance of nanocrystalline diamond coatings was evaluated using in situ tribometry with sapphire counterfaces. Coatings were grown by microwave plasma assisted chemical vapor deposition in an Ar-H-CH{sub 4} plasma, with H ranging from 0 to 36%. In situ examination of the sliding contact, combined with ex situ analysis of the sapphire counterface revealed that the velocity accommodation mode was interfacial sliding of a carbonaceous transfer film versus the coating wear track. For most tests, the contact diameter increased during the first 50 sliding cycles and then remained constant. The in situ measure of the contact diameter was found to correlate confidently to ex situ measurements of counterface wear. The performance of the diamond coatings, characterized by quick run-in to low friction was best when a small but detectable graphite peak was present in the X-ray diffraction (XRD) profile. The relative intensity of the XRD graphite peak was also found to directly correlate with the peak position of the C1s {yields} {pi}* transition as measured by near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Increasing the relative amount of graphite-bonded sp{sup 2} carbon in the NCD films decreased run-in cycles to low friction.

  11. Ultraprecision machining of micro-structured functional surfaces on brittle materials

    NASA Astrophysics Data System (ADS)

    Yu, D. P.; Wong, Y. S.; Hong, G. S.

    2011-09-01

    Ultraprecision micro-structured functional surfaces on hard and brittle materials, e.g. ceramic and glass, are gaining increasing application in a range of areas such as engineering optics and semiconductor and biomedical products. However, due to their tendency of being damaged in brittle fracture in machining, it is challenging to achieve both a high surface finish and complex surface shapes. In this paper, ultraprecision machining of micro-structured functional surfaces on brittle materials by fast tool servo diamond turning is studied. A machining model has been developed to ensure ductile regime machining of the brittle material, in which the material is removed by both plastic deformation and brittle fracture, but the cracks produced are prevented from being extended into the finished surface. Based on the model, an iterative numerical method has been proposed to predict the maximum feed rate for producing crack-free micro-structured surfaces. Machining experiments on typical micro-structured functional surfaces have been carried out to validate the effectiveness of the proposed method for producing ultraprecision micro-structured functional surfaces.

  12. Annealing of hydrogen-induced defects in RF-plasma-treated Si wafers: ex situ and in situ transmission electron microscopy studies

    NASA Astrophysics Data System (ADS)

    Ghica, C.; Nistor, L. C.; Vizireanu, S.; Dinescu, G.

    2011-07-01

    The smart-cut™ process is based on inducing and processing structural defects below the free surface of semiconductor wafers. The necessary defects are currently induced by implantation of light elements such as hydrogen or helium. An alternative softer way to induce shallow subsurface defects is by RF-plasma hydrogenation. To facilitate the smart-cut process, the wafers containing the induced defects need to be subjected to an appropriate thermal treatment. In our experiments, (0 0 1) Si wafers are submitted to 200 and 50 W hydrogen RF-plasma and are subsequently annealed. The samples are studied by transmission electron microscopy (TEM), before and after annealing. The plasma-introduced defects are {1 1 1} and {1 0 0} planar-like defects and nanocavities, all of them involving hydrogen. Many nanocavities are aligned into strings almost parallel to the wafer surface. The annealing is performed either by furnace thermal treatment at 550 °C, or by in situ heating in the electron microscope at 450, 650 and 800 °C during the TEM observations. The TEM microstructural studies indicate a partial healing of the planar defects and a size increase of the nanometric cavities by a coalescence process of the small neighbouring nanocavities. By annealing, the lined up nanometric voids forming chains in the as-hydrogenated sample coalesced into well-defined cracks, mostly parallel to the wafer surface.

  13. In situ studies of a platform for metastable inorganic crystal growth and materials discovery

    PubMed Central

    Shoemaker, Daniel P.; Hu, Yung-Jin; Chung, Duck Young; Halder, Gregory J.; Chupas, Peter J.; Soderholm, L.; Mitchell, J. F.; Kanatzidis, Mercouri G.

    2014-01-01

    Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design. PMID:25024201

  14. Note: Sample chamber for in situ x-ray absorption spectroscopy studies of battery materials

    SciTech Connect

    Pelliccione, CJ; Timofeeva, EV; Katsoudas, JP; Segre, CU

    2014-12-01

    In situ x-ray absorption spectroscopy (XAS) provides element-specific characterization of both crystalline and amorphous phases and enables direct correlations between electrochemical performance and structural characteristics of cathode and anode materials. In situ XAS measurements are very demanding to the design of the experimental setup. We have developed a sample chamber that provides electrical connectivity and inert atmosphere for operating electrochemical cells and also accounts for x-ray interactions with the chamber and cell materials. The design of the sample chamber for in situ measurements is presented along with example XAS spectra from anode materials in operating pouch cells at the Zn and Sn K-edges measured in fluorescence and transmission modes, respectively. (C) 2014 AIP Publishing LLC.

  15. Effect of dentifrices on their remineralizing potential in artificial carious lesions: An in situ study

    PubMed Central

    Damle, Satyawan Gangaramji; Bector, Aditi; Damle, Dhanashree; Kaur, Simranjeet

    2016-01-01

    Background: The eventual sequel of dental caries is determined by the dynamic equilibrium between pathological factors which lead to demineralization and protective elements, which in turn leads to remineralization. Remineralization is the natural process for noncavitated demineralized lesions and relies on calcium and phosphate ions assisted by fluoride to rebuild a new surface on existing crystal remnants in subsurface lesions remaining after demineralization. Hence, the present study was designed to evaluate the efficacy of fluoride dentifrices in remineralizing artificial caries-like lesions in situ. Materials and Methods: A double-blind, randomized study with an initial washout period of 7 days was carried out for 3 weeks. Twenty volunteers were enrolled, who wore the intraoral cariogenicity test appliance having enamel slabs incorporated into them, for 3 weeks. 10 participants were instructed to use Group A dentifrice (fluoride) and the other 10 Group B dentifrice (nonfluoride) for brushing their teeth. The enamel slabs were analyzed by surface microhardness testing and scanning electron microscopy (SEM) at 3 intervals. Results: No significant differences was seen in the microhardness values recorded for Group A and Group B at baseline and after demineralization (P > 0.05); however Group B exhibited lesser microhardness compared to Group A, after intra-oral exposure (P < 0.05). In the SEM analysis, the Group A enamel surfaces had more regular and longer crystallites to those of the Group B. Conclusion: Fluoride dentifrices avert the decrease in enamel hardness and loss of minerals from the enamel surface to a large extent as compared to the nonfluoride dentifrices. PMID:26962320

  16. How well do we know the neutron structure function?

    SciTech Connect

    J. Arrington, J. G. Rubin, W. Melnitchouk

    2012-06-01

    We present a detailed analysis of the uncertainty in the neutron F{sub 2}n structure function extracted from inclusive deuteron and proton deep-inelastic scattering data. The analysis includes experimental uncertainties as well as uncertainties associated with the deuteron wave function, nuclear smearing, and nucleon off-shell corrections. Consistently accounting for the Q{sup 2} dependence of the data and calculations, and restricting the nuclear corrections to microscopic models of the deuteron, we find significantly smaller uncertainty in the extracted F{sub 2}n/F{sub 2}p ratio than in previous analyses. In addition to yielding an improved extraction of the neutron structure function, this analysis also provides an important baseline that will allow future, model-independent extractions of neutron structure to be used to examine nuclear medium effects in the the deuteron.

  17. Resonance Region Structure Functions and Parity Violating Deep Inelastic Scattering

    SciTech Connect

    Carl E. Carlson, Benjamin C. Rislow

    2012-04-01

    The primary motive of parity violating deep inelastic scattering experiments has been to test the standard model, particularly the axial couplings to the quarks, in the scaling region. The measurements can also test for the validity of models for the off-diagonal structure functions $F_{1,2,3}^{\\gamma Z}(x,Q^2)$ in the resonance region. The off-diagonal structure functions are important for the accurate calculation of the $\\gamma Z$-box correction to the weak charge of the proton. Currently, with no data to determine $F_{1,2,3}^{\\gamma Z}(x,Q^2)$ directly, models are constructed by modifying existing fits to electromagnetic data. We present the asymmetry value for deuteron and proton target predicted by several different $F_{1,2,3}^{\\gamma Z}(x,Q^2)$ models, and demonstrate that there are notable disagreements.

  18. Deuteron Spin Structure Functions in the Resonance and DIS Regions

    SciTech Connect

    S. Kulagin; W. Melnitchouk

    2007-10-03

    We derive relations between spin-dependent nuclear and nucleon g_1 and g_2 structure functions, valid at all Q^2, and in both the resonance and deep inelastic regions. We apply the formalism to the specific case of the deuteron, which is often used as a source of neutron structure information, and compare the size of the nuclear corrections calculated using exact kinematics and using approximations applicable at large Q^2.

  19. Nucleon Effective Mass and the A Dependence of Structure Functions

    NASA Astrophysics Data System (ADS)

    Canal, C. A.; Santangelo, E. M.; Vucetich, H.

    1984-10-01

    The nucleon effective mass was successfully used, as the only free parameter, to adjust the ratio R (A) of structure functions measured in a nucleus of mass number A and in the deuteron, for each A value in the SLAC set of experimental data. The resulting A dependence of the effective mass, being linear in A-13, is consistent with the behavior expected from nuclear structure considerations. The extrapolated value of the effective mass for nuclear matter agrees with previous estimations.

  20. Precision measurement of the neutron spin dependent structure functions

    SciTech Connect

    Kolomensky, Y.G.

    1997-02-01

    In experiment E154 at the Stanford Linear Accelerator Center the spin dependent structure function g{sub 1}{sup n} (x, Q{sup 2}) of the neutron was measured by scattering longitudinally polarized 48.3 GeV electrons off a longitudinally polarized {sup 3}He target. The high beam energy allowed the author to extend the kinematic coverage compared to the previous SLAC experiments to 0.014 {le} x {le} 0.7 with an average Q{sup 2} of 5 GeV{sup 2}. The author reports the integral of the spin dependent structure function in the measured range to be {integral}{sub 0.014}{sup 0.7} dx g{sub 1}{sup n}(x, 5 GeV{sup 2}) = {minus}0.036 {+-} 0.004(stat.) {+-} 0.005(syst.). The author observes relatively large values of g{sub 1}{sup n} at low x that call into question the reliability of data extrapolation to x {r_arrow} 0. Such divergent behavior disagrees with predictions of the conventional Regge theory, but is qualitatively explained by perturbative QCD. The author performs a Next-to-Leading Order perturbative QCD analysis of the world data on the nucleon spin dependent structure functions g{sub 1}{sup p} and g{sub 1}{sup n} paying careful attention to the experimental and theoretical uncertainties. Using the parameterizations of the helicity-dependent parton distributions obtained in the analysis, the author evolves the data to Q{sup 2} = 5 GeV{sup 2}, determines the first moments of the polarized structure functions of the proton and neutron, and finds agreement with the Bjorken sum rule.

  1. Equifinality and the Scaling Exponent of the Structure Function

    NASA Astrophysics Data System (ADS)

    Fitton, G. F.; Mezematy, Y.; Schertzer, D. J. M.; Tchiguirinskaia, I.

    2014-12-01

    In turbulence the structure function is by far the most widely used tool for the empirical analysis of the velocity field. This is due mainly to the work of Kolmogorov (1941) who hypothesised a homogeneous flux of energy and derived the famous 2/3 power law for the second-order structure function; — which corresponds to a 5/3 law for the energy spectrum (Obukhov, 1942). In 1962 Kolmogorov refined his hypothesis to take into account the intermittency of the flux, with the consequence that the exponent ξ(q) of the structure function is not longer proportional to its statistical order q. In this communication, we first show that the refined hypothesis can lead to different models that can have opposite intermittency corrections. Secondly, we demonstrate that the inverse problem, i.e., starting from a given expression of ξ(q) to recover the involved flux leads to an interesting problem of equifinality for the definition of this flux. This is done in particular in the framework of the Fractionally Integrated Flux model that gives a precise meaning to the refined hypothesis. The theoretical and practical consequences are illustrated with the help data analysis and simulations of turbulence in wind farms and urban lakes.

  2. High-x structure function of the virtually free neutron

    NASA Astrophysics Data System (ADS)

    Cosyn, Wim; Sargsian, Misak M.

    2016-05-01

    The pole extrapolation method is applied to the semi-inclusive inelastic electron scattering off the deuteron with tagged spectator protons to extract the high-x structure function of the neutron. This approach is based on the extrapolation of the measured cross sections at different momenta of the spectator proton to the nonphysical pole of the bound neutron in the deuteron. The advantage of the method is in the possibility of suppression of the nuclear effects in a maximally model-independent way. The neutron structure functions obtained in this way demonstrate a surprising x dependence at x ≥0.6 and 1.6 ≤Q2≤3.38 GeV2 , indicating a possible rise of the neutron-to-proton structure functions ratio. If the observed rise is valid in the true deep inelastic region then it may indicate new dynamics in the generation of high-x quarks in the nucleon. One such mechanism we discuss is the possible dominance of short-range isosinglet quark-quark correlations that can enhance the d -quark distribution in the proton.

  3. Molecular markers in management of ex situ PGR-a case study.

    PubMed

    Börner, Andreas; Khlestkina, Elena K; Chebotar, Sabina; Nagel, Manuela; Arif, Mian Abdur Rehman; Neumann, Kerstin; Kobiljski, Borislav; Lohwasser, Ulrike; Röder, Marion S

    2012-11-01

    Worldwide germplasm collections contain about 7.4 million accessions of plant genetic resources for food and agriculture. One of the 10 largest ex situ genebanks of our globe is located at the Leibniz Institute of Plant Genetics and Crop Plant Research in Gatersleben, Germany. Molecular tools have been used for various gene bank management practices including characterization and utilization of the germplasm. The results on genetic integrity of longterm- stored gene bank accessions of wheat (self-pollinating) and rye (open-pollinating) cereal crops revealed a high degree of identity for wheat. In contrast, the out-pollinating accessions of rye exhibited shifts in allele frequencies. The genetic diversity of wheat and barley germplasm collected at intervals of 40 to 50 years in comparable geographical regions showed qualitative rather than a quantitative change in diversity. The inter- and intraspecific variation of seed longevity was analysed and differences were detected. Genetic studies in barley, wheat and oilseed rape revealed numerous QTL, indicating the complex and quantitative nature of seed longevity. Some of the loci identified were in genomic regions that co-localize with genes determining agronomic traits such as spike architecture or biotic and abiotic stress response. Finally, a genome-wide association mapping analysis of a core collection of wheat for flowering time was performed using diversity array technology (DArT) markers. Maker trait associations were detected in genomic regions where major genes or QTL have been described earlier. In addition, new loci were also detected, providing opportunities to monitor genetic variation for crop improvement.

  4. NOx storage and reduction in model lean NOx trap catalysts studied by in situ DRIFTS

    SciTech Connect

    Ji, Yaying; Toops, Todd J; Pihl, Josh A; Crocker, Mark

    2009-01-01

    NO{sub x} storage and reduction on a model Pt/BaO/Al{sub 2}O{sub 3} catalyst was studied by means of in situ DRIFTS measurements. To examine the effect of ceria addition, experiments were also conducted using Pt/BaO/Al{sub 2}O{sub 3} to which Pt/CeO{sub 2} was added as a physical mixture in a 74:26 weight ratio. For the former catalyst, DRIFT spectra acquired during NO/O{sub 2} and NO{sub 2}/O{sub 2} storage indicated the formation of nitrite at 200 C during the initial stages of adsorption, while increasing the adsorption temperature appeared to facilitate the oxidation of nitrite to nitrate. The ceria-containing catalyst afforded similar DRIFT spectra under these conditions, although the presence of cerium nitrates was observed at 200 and 300 C, consistent with NO{sub x} storage on the ceria phase. DRIFT spectra acquired during NO{sub x} reduction in CO and CO/H{sub 2} showed that Ba nitrate species remained on the surface of both catalysts at 450 C, whereas the use of H{sub 2}-only resulted in complete removal of stored NO{sub x}. The observation of Ba carbonates when CO was present suggests that the inferior reduction efficiency of CO may arise from the formation of a crust of BaCO{sub 3} on the Ba phase, which inhibits further NO{sub x} reduction. DRIFT spectra acquired during lean-rich cycling (6.5 min lean, 1.0 min rich) with CO/H{sub 2} as the rich phase reductants revealed that a significant concentration of nitrates remained on the catalysts at the end of the rich phase. This implies that a large fraction of nitrate is not decomposed during cycling and thus cannot participate in NO{sub x} abatement through storage and regeneration.

  5. Particle scattering, backscattering, and absorption coefficients: An in situ closure and sensitivity study

    NASA Astrophysics Data System (ADS)

    Wex, Heike; Neusüß, Christian; Wendisch, Manfred; Stratmann, Frank; Koziar, Christian; Keil, Andreas; Wiedensohler, Alfred; Ebert, Martin

    2002-11-01

    Comparisons between measured and calculated aerosol scattering, backscattering, and absorption coefficients were made based on in situ, ground-based measurements during the Melpitz INTensive (MINT) and Lindenberg Aerosol Characterization Experiment 1998 (LACE 98) field studies. Furthermore, airborne measurements made with the same type of instruments are reviewed and compared with the ground-based measurements. Agreement between measured and calculated values is on the order of ±20% for scattering and backscattering coefficients. A sensitivity analysis showed a large influence on the calculated particle scattering and backscattering coefficients resulting from sizing uncertainties in the measured number size distributions. Measured absorption coefficients were significantly smaller than the corresponding calculated values. The largest uncertainty for the calculated absorption coefficients resulted from the size-dependent fraction of elemental carbon (EC) of the aerosol. A correction for the measured fractions of EC could significantly improve the agreement between measured and calculated absorption coefficients. The overall uncertainty of the calculated values was investigated with a Monte Carlo method by simultaneously and randomly varying the input parameters of the calculations, where the variation of each parameter was bounded by its uncertainty. The measurements were mostly found to be within the range of uncertainties of the calculations, with uncertainties for the calculated scattering and backscattering coefficients of about ±20% and for the absorption coefficients of about ±30%. Thus, to increase the accuracy of calculated scattering, backscattering, and absorption coefficients, it is crucial to further reduce the error in particle number size distribution measurement techniques. In addition, further improvement of the techniques for measuring absorption coefficients and further investigation of the measurement of the fraction of EC of the aerosol is

  6. Study of Sn removal processes for in-situ collector cleaning

    NASA Astrophysics Data System (ADS)

    Elg, Daniel T.; Panici, Gianluca A.; Srivastava, Shailendra N.; Ruzic, D. N.

    2016-03-01

    An in-situ hydrogen plasma cleaning technique to clean Sn off of EUV collector optics is studied in detail. The cleaning process uses hydrogen radicals (formed in the hydrogen plasma) to interact with Sn-coated surfaces, forming SnH4 and being pumped away. This technique has been used to clean a 300mm-diameter stainless steel dummy collector optic, and EUV reflectivity of multilayer mirror samples was restored after cleaning Sn from them, validating the potential of this technology. This method has the potential to significantly reduce downtime and increase source availability. However, net Sn removal is limited by decomposition of the SnH4 molecule upon impact with the collector and the resulting redeposition of Sn. This is true in all cleaning systems that make use of hydrogen radicals. Thus, to guide the design of effective cleaning systems, the transport of Sn in the chamber, and the fundamental processes affecting it, must be understood. Accordingly, an investigation into these processes Sn removal is being performed. These processes include the advection of gas through the chamber, the creation of hydrogen radicals, the etching of Sn by radicals, and the surface decomposition of SnH4. In this paper, experiments to determine the radical density are presented, along with a theoretical plasma chemistry model that explains the processes behind radical creation and validates the radical density measurements. Additionally, experiments are shown that provide an insight into the etching of Sn by hydrogen radicals, yielding calculations of etching probability as well as showing that Sn etching is very sensitive to oxygen contamination and surface morphology.

  7. Rheological study of in-situ crosslinkable hydrogels based on hyaluronanic acid, collagen and sericin.

    PubMed

    Vulpe, Raluca; Le Cerf, Didier; Dulong, Virginie; Popa, Marcel; Peptu, Catalina; Verestiuc, Liliana; Picton, Luc

    2016-12-01

    The elaboration of chemically crosslinked hydrogels based on collagen (C), hyaluronanic acid (HA) and sericin (S) with different polymer ratios was investigated by in-situ rheology. This reaction was performed via amide or ester bond reaction activated by carbodiimide, in pure water. Prior to molecule crosslinking, the rheological behaviour of the biopolymers (alone or in mixture) was characterized in a semi-dilute concentration regime. Both flow and dynamic measurements showed that uncrosslinked collagen alone appears to be rather elastic with yield stress properties, whereas uncrosslinked HA alone appears to be rather shear thinning and viscoelastic in agreement with entangled polymer behaviour. Sericin exhibited Newtonian low viscosity behaviour according to its very low molar mass. Before crosslinking, HA exhibited viscoelastic behaviour at concentrations above the critical entangled concentration (C*) in the mixtures, thus HA shows promise as a matrix for future crosslinked networks, whereas sericin did not significantly modify the rheology. During the reaction, followed by rheology, the kinetics were slower for pure HA systems compared with the mixtures (i.e., with added collagen and/or to a lesser extent sericin). At the same time, the final network of hydrogels (i.e., the elastic modulus) was more structured in the mixture based systems. This result is explained by ester bonds (the only possibility for pure HA systems), which are less favourable and reactive than amide bonds (possible with sericin and collagen). The presence of collagen in the HA matrix reinforced the hydrogel network. SEM studies confirmed the structure of the hydrogels, and in vitro degradability was globally consistent with the effect of the selected enzyme according to the hydrogel composition. All the elaborated hydrogels were non-cytotoxic in vitro. PMID:27612727

  8. In-situ NMR study of molecular and ionic processes inside carbon nanopores

    NASA Astrophysics Data System (ADS)

    Luo, Zhixiang

    Interactions of simple ions with water and interfaces play critical roles in many electrochemical and biological processes. They are especially significant in nanoconfined regions and have a profound impact in many applications, for instance nanofluidics and supercapacitors. This dissertation employs a nuclear magnetic resonance (NMR) technique to study their influence on the ionic processes inside carbon nanopores. To characterize the carbon micropore structure, a convenient NMR method is established by taking a 1H magic angle spinning (MAS) spectrum of the adsorbed water. A density functional theory (DFT) computation of the nucleus-independent chemical shift (NICS) yields a quantitative relationship between the NICS values and the micropore sizes. The carbon micropore size and distribution are derived from the chemical shift and the spectrum lineshape. For aqueous electrolytes inside uncharged carbon nanopores, the measurement of ion concentrations reveals a substantial electroneutrality breakdown. The specific ion effects and ion-ion correlations are shown to play crucial roles in determining the degree of electroneutrality breakdown. The importance of those interactions is further revealed by the asymmetric and nonlinear responses of ion concentrations to the charging of the confining carbon walls. Such information is obtained with a carbon supercapacitor built into the NMR probe. The NMR observations are validated by a numerical calculation of the ion distribution in the nanopores using the generalized Poisson-Boltzmann (PB) equation, demonstrating that the nonelectrostatic interfacial interactions can indeed dominate the electrostatic interactions and lead to the breakdown of electroneutrality inside nanoconfined regions. Interfacial ion hydration is an essential part of the specific ion effects. Using in-situ 23Na and 19F NMR on carbon supercapacitors with different carbon pore sizes, I provide a molecular-scale understanding of the permeation and

  9. Reduction of mixed Mn-Zr oxides: in situ XPS and XRD studies.

    PubMed

    Bulavchenko, O A; Vinokurov, Z S; Afonasenko, T N; Tsyrul'nikov, P G; Tsybulya, S V; Saraev, A A; Kaichev, V V

    2015-09-21

    A series of mixed Mn-Zr oxides with different molar ratios Mn/Zr (0.1-9) have been prepared by coprecipitation of manganese and zirconium nitrates and characterized by X-ray diffraction (XRD) and BET methods. It has been found that at concentrations of Mn below 30 at%, the samples are single-phase solid solutions (MnxZr1-xO2-δ) based on a ZrO2 structure. X-ray photoelectron spectroscopy (XPS) measurements showed that manganese in these solutions exists mainly in the Mn(4+) state on the surface. An increase in Mn content mostly leads to an increase in the number of Mn cations in the structure of solid solutions; however, a part of the manganese cations form Mn2O3 and Mn3O4 in the crystalline and amorphous states. The reduction of these oxides with hydrogen was studied by a temperature-programmed reduction technique, in situ XRD, and near ambient pressure XPS in the temperature range from 100 to 650 °C. It was shown that the reduction of the solid solutions MnxZr1-xO2-δ proceeds via two stages. During the first stage, at temperatures between 100 and 500 °C, the Mn cations incorporated into the solid solutions MnxZr1-xO2-δ undergo partial reduction. During the second stage, at temperatures between 500 and 700 °C, Mn cations segregate on the surface of the solid solution. In the samples with more than 30 at% Mn, the reduction of manganese oxides was observed: Mn2O3 → Mn3O4 → MnO.

  10. Study of critical current density in superconducting magnesium diboride films grown by ex situ annealing of CVD boron films

    NASA Astrophysics Data System (ADS)

    Hanna, Mina

    MgB2 films have been processed by different techniques, the most successful of which include the hybrid physical-chemical vapor deposition (HPCVD) as well as the ex situ high temperature annealing of boron films in Mg vapor. The advantage of the ex situ method is that it allows the coating of MgB2 on large and complex surfaces, such as superconducting radio frequency (RF) cavities. However, it has always been realized that HPCVD films can carry higher J c than the ex situ annealed films. In this research, we succeeded in fabricating high quality MgB2 films by the ex situ annealing technique that produced a Jc value as high as 1.8 x 106 A/cm 2 for 1 mum thick film at 20 K and self-field. This high Jc value is, however, considerably reduced at higher thicknesses similar to that observed in YBCO coated conductors. In order to understand the mechanisms responsible for J c decrease with increasing film thickness, we studied the Jc behavior as a function of thickness in MgB2 films fabricated by ex situ annealing at 840°C of boron films, grown by chemical vapor deposition, in Mg vapor. The film thickness ranged between 300 nm and 10 mum. The values of Jc for these films ranged from 1.2 x 107 A/cm2 for 300 nm to 1.9 x 105 A/cm2 for 10 mum film thickness at 20 K and self-field. In addition, the results show that critical current (Ic) reaches a maximum value of 728 A/cm width at ˜1 mum thick MgB2 film at 20 K and self-field. These results of Jc and Ic behaviors with higher thickness are interpreted in terms of impurity diffusion during annealing and microstructural degradation for thicker films.

  11. A Next-Generation Hard X-Ray Nanoprobe Beamline for In Situ Studies of Energy Materials and Devices

    NASA Astrophysics Data System (ADS)

    Maser, Jörg; Lai, Barry; Buonassisi, Tonio; Cai, Zhonghou; Chen, Si; Finney, Lydia; Gleber, Sophie-Charlotte; Jacobsen, Chris; Preissner, Curt; Roehrig, Chris; Rose, Volker; Shu, Deming; Vine, David; Vogt, Stefan

    2014-01-01

    The Advanced Photon Source is developing a suite of new X-ray beamlines to study materials and devices across many length scales and under real conditions. One of the flagship beamlines of the APS upgrade is the In Situ Nanoprobe (ISN) beamline, which will provide in situ and operando characterization of advanced energy materials and devices under varying temperatures, gas ambients, and applied fields, at previously unavailable spatial resolution and throughput. Examples of materials systems include inorganic and organic photovoltaic systems, advanced battery systems, fuel cell components, nanoelectronic devices, advanced building materials and other scientifically and technologically relevant systems. To characterize these systems at very high spatial resolution and trace sensitivity, the ISN will use both nanofocusing mirrors and diffractive optics to achieve spots sizes as small as 20 nm. Nanofocusing mirrors in Kirkpatrick-Baez geometry will provide several orders of magnitude increase in photon flux at a spatial resolution of 50 nm. Diffractive optics such as zone plates and/or multilayer Laue lenses will provide a highest spatial resolution of 20 nm. Coherent diffraction methods will be used to study even small specimen features with sub-10 nm relevant length scale. A high-throughput data acquisition system will be employed to significantly increase operations efficiency and usability of the instrument. The ISN will provide full spectroscopy capabilities to study the chemical state of most materials in the periodic table, and enable X-ray fluorescence tomography. In situ electrical characterization will enable operando studies of energy and electronic devices such as photovoltaic systems and batteries. We describe the optical concept for the ISN beamline, the technical design, and the approach for enabling a broad variety of in situ studies. We furthermore discuss the application of hard X-ray microscopy to study defects in multi-crystalline solar cells, one

  12. A Next-Generation Hard X-Ray Nanoprobe Beamline for In Situ Studies of Energy Materials and Devices

    SciTech Connect

    Maser, Jong; Lai, Barry; Buonassisi, Toni; Cai, Zhonghou; Chen, Si; Finney, Lydia; Gleber, Sophie-Charlotte; Jacobsen, Chris; Preissner, Curt; Chris Roehrig; Rose, Volker; Shu, Deming; Vine, David; Vogt, Stefan

    2013-08-20

    The Advanced Photon Source is developing a suite of new X-ray beamlines to study materials and devices across many length scales and under real conditions. One of the flagship beamlines of the APS upgrade is the In Situ Nanoprobe (ISN) beamline, which will provide in situ and operando characterization of advanced energy materials and devices under varying temperatures, gas ambients, and applied fields, at previously unavailable spatial resolution and throughput. Examples of materials systems include inorganic and organic photovoltaic systems, advanced battery systems, fuel cell components, nanoelectronic devices, advanced building materials and other scientifically and technologically relevant systems. To characterize these systems at very high spatial resolution and trace sensitivity, the ISN will use both nanofocusing mirrors and diffractive optics to achieve spots sizes as small as 20 nm. Nanofocusing mirrors in Kirkpatrick–Baez geometry will provide several orders of magnitude increase in photon flux at a spatial resolution of 50 nm. Diffractive optics such as zone plates and/or multilayer Laue lenses will provide a highest spatial resolution of 20 nm. Coherent diffraction methods will be used to study even small specimen features with sub-10 nm relevant length scale. A high-throughput data acquisition system will be employed to significantly increase operations efficiency and usability of the instrument. The ISN will provide full spectroscopy capabilities to study the chemical state of most materials in the periodic table, and enable X-ray fluorescence tomography. In situ electrical characterization will enable operando studies of energy and electronic devices such as photovoltaic systems and batteries. We also describe the optical concept for the ISN beamline, the technical design, and the approach for enabling a broad variety of in situ studies. Furthermore, we discuss the application of hard X-ray microscopy to study defects in multi-crystalline solar

  13. In Situ Powder Diffraction Studies of Electrode Materials in Rechargeable Batteries.

    PubMed

    Sharma, Neeraj; Pang, Wei Kong; Guo, Zaiping; Peterson, Vanessa K

    2015-09-01

    The ability to directly track the charge carrier in a battery as it inserts/extracts from an electrode during charge/discharge provides unparalleled insight for researchers into the working mechanism of the device. This crystallographic-electrochemical information can be used to design new materials or modify electrochemical conditions to improve battery performance characteristics, such as lifetime. Critical to collecting operando data used to obtain such information in situ while a battery functions are X-ray and neutron diffractometers with sufficient spatial and temporal resolution to capture complex and subtle structural changes. The number of operando battery experiments has dramatically increased in recent years, particularly those involving neutron powder diffraction. Herein, the importance of structure-property relationships to understanding battery function, why in situ experimentation is critical to this, and the types of experiments and electrochemical cells required to obtain such information are described. For each battery type, selected research that showcases the power of in situ and operando diffraction experiments to understand battery function is highlighted and future opportunities for such experiments are discussed. The intention is to encourage researchers to use in situ and operando techniques and to provide a concise overview of this area of research.

  14. In situ tests for water quality assessment: a case study in Pampean rivers.

    PubMed

    Graça, Manuel A S; Rodrígues-Capítulo, Alberto; Ocón, Carolina; Gómez, Nora

    2002-09-01

    Two invertebrate species (Hyalella curvispina and Palaemonetes argentinus) and one macrophyte (Egeria densa) from a naturally high nutrient content system (Pampean rivers of La Plata, Argentina) were evaluated for their potential use in situ assays aiming to assess changes in water quality. Invertebrates were individually placed in cylindrical chambers in polluted sections of rivers and in reference upstream sites. Mortality after 48 h was high in polluted and reduced in control sites. Mortality was also higher in situ assays than in laboratory static tests. Standard sections of the macrophyte were also deployed at the reference and control sites. Growth (7 days) in terms of mass increment (but not in length) was consistently reduced in polluted sites. Results of benthic invertebrate and periphitic algae surveys were consistent with the in situ tests: pollution resulted in a decrease in the number of taxa, taxa replacement and in changes in the value of the biotic indices Indice Biótico PAMPeano and Indice de Diatomeas Pampeano, indicating deterioration of water quality. In situ assays have a high potential as environmental tools in integrated approaches of bioassessment programs. PMID:12405412

  15. Quantitative in situ hybridization for the study of gene expression at the regional and cellular levels.

    PubMed

    Le Moine, Catherine

    2003-08-01

    Quantitative in situ hybridization allows measurement of mRNA level modifications in a variety of experimental conditions. This analysis may be performed both at the regional anatomical and cellular levels by densitometry, neuronal counting and silver grain measurements. PMID:18428577

  16. FIELD STUDY: IN SITU OXIDATION OF 1,4-DIOXANE WITH OZONE AND HYDROGEN PEROXIDE

    EPA Science Inventory

    A pilot-scale field evaluation is underway to assess the effectiveness of in situ oxidation (using ozone with and without hydrogen peroxide) for remediation of 1,4-dioxane and chlorinated volatile organic compounds in groundwater at the Cooper Drum Company Superfund Site located ...

  17. Influence of Laser Irradiation on Pits and Fissures: An In Situ Study

    PubMed Central

    Correa–Afonso, Alessandra M; Pécora, Jesus D

    2013-01-01

    Abstract Objective: The aim of this in situ study was to analyze the influence of the Er:YAG, Nd:YAG, and CO2 lasers on the enamel acid resistance of pits and fissures. Background data: The laser tissue interaction has been studied as a method of preventing occlusal caries. Methods: Thirteen volunteers wore palatal acrylic appliances containing human occlusal enamel blocks that were divided into four groups (G1, control; G2, Er:YAG; G3, Nd:YAG; G4, CO2). Each palatal acrylic appliance was used in the four studied groups and was used for 14 consecutive days. A sucrose solution was applied to the specimens six times per day. The specimens were then sectioned in half, and a microhardness test was applied. The other halves were analyzed using polarized light microscopy to measure the caries-like lesion areas, and a morphological analysis was conducted using a scanning electron microscope (SEM). Results: For the statistical analysis of the data obtained from the microhardness test (Knoop hardness number. [KHN]) (α=5%), Fisher's exact test was performed, and the group means were as follows: G1, 247±71; G2, 258±70; G3, 272±73; and G4, 298±56. The results demonstrated that the control group was significantly different from G3 and G4, which presented higher microhardness values. The Wilcoxon signed-rank test was used to analyze the data obtained from the caries-lesion area measurements (mm2) (α=5%) (G1, 0.01±1.08; G2, 0.13±0.18; G3, 0.05±0.17; and G4, 0.09±0.22). The results no showed significant differences among the groups in this analysis. Conclusions: Based on the results from the present study, it may be concluded that the CO2 and Nd:YAG lasers increased the enamel acid resistance in pits and fissures. PMID:23336742

  18. Laboratory sand column study of encapsulated buffer release for potential in situ pH control.

    PubMed

    Rust, Christine M; Aelion, C Marjorie; Flora, Joseph R V

    2002-01-01

    Encapsulation technology is being investigated as a method for controlling pH in situ at contaminated groundwater sites where pH may limit remediation of organic contaminants. This study examined the effectiveness of using KH2PO4 buffer encapsulated in a pH-sensitive coating to neutralize pH in laboratory sand columns (1.5-1) under a simulated groundwater flow rate and characterized the pattern of capsule release in the flow-through system. Denitrification was used in the columns to increase the pH of the pore water. Each of three columns was equipped with three miniature mesh wells to allow contact of the buffer with column pore water, but capsules (15 g) were inserted into only one column (amended). The two other columns served as amendment (no buffer) and abiotic (no denitrification) controls. Oxidation-reduction potential, dissolved organic and inorganic carbon, NH4+, NO3- +NO2-, PO(4)3-, and pH were measured in the influent, two side ports, and effluent of the columns over time. Near complete conversion of 80 mg N/1 of nitrate and 152 mg/l of ethanol per day resulted in a mean pH increase from 6.2 to 8.2 in the amendment control column. The amended column maintained the target pH of 7.0 +/- 0.2 for 4 weeks until the capsules began to be depleted, after which time the pH slowly started to increase. The capsules exhibited pulses of buffer release, and were effectively dissolved after 7.5 weeks of operation. Base-neutralizing capacity contributed by the encapsulated buffer over the entire study period, calculated as cation equivalents, was 120 mM compared to 8 mM without buffer. This study demonstrates the potential for this technology to mediate pH changes and provides the framework for future studies in the laboratory and in the field, in which pH is controlled in order to enhance organic contaminant remediation by pH-sensitive systems.

  19. In situ scanning tunneling microscopy studies of the SEI formation on graphite electrodes for Li+-ion batteries

    NASA Astrophysics Data System (ADS)

    Seidl, Lukas; Martens, Slađana; Ma, Jiwei; Stimming, Ulrich; Schneider, Oliver

    2016-07-01

    The SEI-formation on graphitic electrodes operated as an Li+-ion battery anode in a standard 1 M LiPF6 EC/DMC (1 : 1) electrolyte has been studied in situ by EC-STM. Two different modes of in situ study were applied, one, which allowed to follow topographic and crystallographic changes (solvent cointercalation, graphite exfoliation, SEI precipitation on the HOPG basal plane) of the graphite electrode during SEI-formation, and the second, which gave an insight into the SEI precipitation on the HOPG basal plane in real time. From the in situ EC-STM studies, not only conclusions about the SEI-topography could be drawn, but also about the formation mechanism and the chemical composition, which strongly depend on the electrode potential. It was shown that above 1.0 V vs. Li/Li+ the SEI-formation is still reversible, since the molecular structure of the solvent molecules remains intact during an initial reduction step. During further reduction, the molecular structures of the solvents are destructed, which causes the irreversible charge loss. The STM studies were completed by electrochemical methods, like cyclic voltammetry, the potentiostatic intermittent titration technique and charge/discharge tests of MCMB electrodes.

  20. High-Energy Synchrotron X-Ray Diffraction for In Situ Diffuse Scattering Studies of Bulk Single Crystals

    NASA Astrophysics Data System (ADS)

    Daniels, John E.; Jo, Wook; Donner, Wolfgang

    2012-01-01

    High-energy synchrotron x-ray scattering offers a powerful technique for investigation of single-crystal material structures. Large, mm-sized crystals can be used, allowing complex in situ sample environments to be employed. Here, we demonstrate how this technique can be applied for the collection of single-crystal diffuse scattering volumes from the electro-active material 96%Bi0.5Na0.5TiO3-4%BaTiO3 while electric fields are applied in situ. The data obtained allow correlation of the atomic and nanoscale structures with the observed macroscopic electro-active properties of interest. This article presents a recent study relating the nanoscale stacking fault structure in BNT-BT to the relaxor-ferroelectric nature of the material [Daniels et al. in Appl. Phys. Lett. 98, 252904 (2011)], and extends this study with further experimental description and analysis.

  1. In-situ high temperature irradiation setup for temperature dependent structural studies of materials under swift heavy ion irradiation

    NASA Astrophysics Data System (ADS)

    Kulriya, P. K.; Kumari, Renu; Kumar, Rajesh; Grover, V.; Shukla, R.; Tyagi, A. K.; Avasthi, D. K.

    2015-01-01

    An in-situ high temperature (1000 K) setup is designed and installed in the materials science beam line of superconducting linear accelerator at the Inter-University Accelerator Centre (IUAC) for temperature dependent ion irradiation studies on the materials exposed with swift heavy ion (SHI) irradiation. The Gd2Ti2O7 pyrochlore is irradiated using 120 MeV Au ion at 1000 K using the high temperature irradiation facility and characterized by ex-situ X-ray diffraction (XRD). Another set of Gd2Ti2O7 samples are irradiated with the same ion beam parameter at 300 K and simultaneously characterized using in-situ XRD available in same beam line. The XRD studies along with the Raman spectroscopic investigations reveal that the structural modification induced by the ion irradiation is strongly dependent on the temperature of the sample. The Gd2Ti2O7 is readily amorphized at an ion fluence 6 × 1012 ions/cm2 on irradiation at 300 K, whereas it is transformed to a radiation-resistant anion-deficient fluorite structure on high temperature irradiation, that amorphized at ion fluence higher than 1 × 1013 ions/cm2. The temperature dependent ion irradiation studies showed that the ion fluence required to cause amorphization at 1000 K irradiation is significantly higher than that required at room temperature irradiation. In addition to testing the efficiency of the in-situ high temperature irradiation facility, the present study establishes that the radiation stability of the pyrochlore is enhanced at higher temperatures.

  2. Fetal t(5p;21q) misdiagnosed as monosomy 21: A plea for in situ hybridization studies

    SciTech Connect

    Gill, P.; Uhrich, S.; Cheng, E.; Disteche, C.

    1994-10-01

    We report a case of 45,XY,-5,-21,+der (5)t(5;21) (p13 or p14;q11.2 or q21) that was prenatally misdiagnosed as complete monosomy 21 and terminated at 24 weeks of gestation. Subsequent fluorescence in situ hybridization studies with a chromosome 21 painting probe documented the cryptic unbalanced translocation. 17 refs., 2 figs., 1 tab.

  3. A study of myc-related gene expression in small cell lung cancer by in situ hybridization.

    PubMed Central

    Gu, J.; Linnoila, R. I.; Seibel, N. L.; Gazdar, A. F.; Minna, J. D.; Brooks, B. J.; Hollis, G. F.; Kirsch, I. R.

    1988-01-01

    The expression of myc-related genes (c-myc, N-myc, and L-myc) in small cell lung cancer (SCLC) was studied by RNA-RNA tissue in situ hybridization. The tissues investigated included cytospins of ten cell lines derived from patients with SCLC, four corresponding nude mouse xenografts from cell lines, and metastatic tumor tissue obtained by surgical biopsy and at autopsy. The probes were prepared as 35S labeled complementary RNA. The expression of each gene was demonstrated specifically by autoradiography in the cytoplasm of the neoplastic cell samples. The average levels of oncogene expression in each specimen corroborated previous data obtained by Northern blot assays. In addition, heterogeneity in gene expression from cell to cell in each sample was noted. This study represents the first attempt to demonstrate oncogene expression in lung cancer cell lines and tissues in situ, and confirms that the expression of these myc related genes can be seen in the primary tumor. The technique of RNA-RNA tissue in situ hybridization has great potential in answering fundamental questions of tumor cell heterogeneity and progression in SCLC. It should be useful in both prospective and retrospective studies. Images Figure 1 Figure 2 Figure 3 Figure 4 PMID:2456019

  4. An Integrated approach for in situ stress prediction - Fault Block Scale Case Study for the northern Central Cordillera of Colombia

    NASA Astrophysics Data System (ADS)

    Whitehill, C. S.; Cobos, D.; Vargas, C. A.; Martinez, M.

    2013-05-01

    This study develops an integrated, geological approach for evaluation of in situ stress, and presents a case study of the Central Cordillera of Colombia. The case study considers the effect of the complex tectonic interplay between Nazca-South American subduction, Panamanian indention, continental volcanism and crustal deformation. Regional stress fields and the related potential geo-hazards for this region are constrained by the limited structural control at depth on the primary deterministic features, sparse paleoseismology and active strain measurements on fault slip. In the absence of data needed for the traditional approach to this kind of problem; we model the system from a geo-mechanical perspective that allows us to vary parameters controlling in-situ stress fields at both the fault block scale and the discrete fracture network scale. The approach presented in this paper focuses on in situ stress estimation at the fault block scale. Using available fault geometry, earthquake focal mechanism, subsurface, stratigraphic, GIS, GPS, topographic and paleoseismology data, we utilize FracMan® technology to model variations on stress field analyses along strike on the dominant structures. We interpret relative intensities and the probability for seismic release along several key faults such as the Romeral Norte, Cauca, Ibagué, Fallas de Magdalena, Murindo, Armenia and Palestina faults each with significant (Mw > 6) displays of historic seismicity.

  5. In situ photoelectron spectroscopy study of water adsorption on model biomaterial surfaces

    SciTech Connect

    Salmeron, Miquel; Ketteler, Guido; Ashby, Paul; Mun, B.S.; Ratera, I.; Bluhm, Hendrik; Kasemo, B.; Salmeron, Miquel

    2007-07-10

    Using in situ photoelectron spectroscopy at near ambient conditions, we compare the interaction of water with four different model biomaterial surfaces: self-assembled thiol monolayers on Au(111) that are functionalized with methyl, hydroxyl, and carboxyl groups, and phosphatidylcholine (POPC) lipid films on Silicon. We show that the interaction of water with biomaterial surfaces is mediated by polar functional groups that interact strongly with water molecules through hydrogen bonding, resulting in adsorption of 0.2-0.3 ML water on the polar thiol films in 700 mTorr water pressure and resulting in characteristic N1s and P2p shifts for the POPC films. Provided that beam damage is carefully controlled, in situ electron spectroscopy can give valuable information about water adsorption which is not accessible under ultra-high vacuum conditions.

  6. An in situ study of reconstructed gold electrode surfaces by second harmonic generation

    NASA Astrophysics Data System (ADS)

    Friedrich, A.; Pettinger, B.; Kolb, D. M.; Lüpke, G.; Steinhoff, R.; Marowsky, G.

    1989-11-01

    Second harmonic generation (SHG) was employed to monitor in situ the potential-induced reconstruction of Au(111) and Au(100) electrodes. Rotating the sample by 360° about the surface normal yields for the unreconstructed Au(111)-(1×1) surface the well-known threefold symmetry pattern in the SHG intensity, while Au(100)-(1×1) shows no rotational anisotropy, as expected for C 4v symmetry. For the reconstructed Au(111)-(1×23) surface, however, an additional onefold symmetry pattern is observed, which allows in situ monitoring of the structural transition between (1×1) and (1×23). For the reconstructed Au(100)-(5×20) surface, a threefold symmetry pattern was found.

  7. Cheese rind communities provide tractable systems for in situ and in vitro studies of microbial diversity.

    PubMed

    Wolfe, Benjamin E; Button, Julie E; Santarelli, Marcela; Dutton, Rachel J

    2014-07-17

    Tractable microbial communities are needed to bridge the gap between observations of patterns of microbial diversity and mechanisms that can explain these patterns. We developed cheese rinds as model microbial communities by characterizing in situ patterns of diversity and by developing an in vitro system for community reconstruction. Sequencing of 137 different rind communities across 10 countries revealed 24 widely distributed and culturable genera of bacteria and fungi as dominant community members. Reproducible community types formed independent of geographic location of production. Intensive temporal sampling demonstrated that assembly of these communities is highly reproducible. Patterns of community composition and succession observed in situ can be recapitulated in a simple in vitro system. Widespread positive and negative interactions were identified between bacterial and fungal community members. Cheese rind microbial communities represent an experimentally tractable system for defining mechanisms that influence microbial community assembly and function.

  8. Cheese rind communities provide tractable systems for in situ and in vitro studies of microbial diversity

    PubMed Central

    Wolfe, Benjamin E.; Button, Julie E.; Santarelli, Marcela; Dutton, Rachel J.

    2014-01-01

    SUMMARY Tractable microbial communities are needed to bridge the gap between observations of patterns of microbial diversity and mechanisms that can explain these patterns. We developed cheese rinds as model microbial communities by characterizing in situ patterns of diversity and by developing an in vitro system for community reconstruction. Sequencing of 137 different rind communities across 10 countries revealed 24 widely distributed and culturable genera of bacteria and fungi as dominant community members. Reproducible community types formed independent of geographic location of production. Intensive temporal sampling demonstrated that assembly of these communities is highly reproducible. Patterns of community composition and succession observed in situ can be recapitulated in a simple in vitro system. Widespread positive and negative interactions were identified between bacterial and fungal community members. Cheese rind microbial communities represent an experimentally tractable system for defining mechanisms that influence microbial community assembly and function. PMID:25036636

  9. MSATT Workshop on Innovative Instrumentation for the In Situ Study of Atmosphere-Surface Interactions on Mars

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr. (Editor); Waenke, Heinrich (Editor)

    1992-01-01

    Papers accepted for the Mars Surface and Atmosphere Through Time (MSATT) Workshop on Innovative Instruments for the In Situ Study of Atmosphere-Surface Interaction of Mars, 8-9 Oct. 1992 in Mainz, Germany are included. Topics covered include: a backscatter Moessbauer spectrometer (BaMS) for use on Mars; database of proposed payloads and instruments for SEI missions; determination of martian soil mineralogy and water content using the Thermal Analyzer for Planetary Soils (TAPS); in situ identification of the martian surface material and its interaction with the martian atmosphere using DTA/GC; mass spectrometer-pyrolysis experiment for atmospheric and soil sample analysis on the surface of Mars; and optical luminescence spectroscopy as a probe of the surface mineralogy of Mars.

  10. The home-made in situ passive flux sampler for the measurement of monoterpene emission flux: preliminary studies.

    PubMed

    Marć, Mariusz; Namieśnik, Jacek; Zabiegała, Bożena

    2015-09-01

    The paper presents the construction and metrological characteristics of the home-made in situ passive flux sampler, an analytical tool representing small-scale emission chambers working in situ and passively sampling analytes from the gaseous phase. The sorption element was a cylindrical container made of stainless steel net, packed with a carbon sorbent bed-graphitized charcoal, Carbograph 4 (35/50 mesh). The recommended working/exposure time of the constructed passive device was determined by carrying out model tests in the laboratory. In addition, a preliminary study was conducted to determine the rate of the emission flux of selected monoterpenes released from the surface of wood-based indoor materials (laminated chipboard) used in residential areas.

  11. In Situ XANES Study of CuO/TiO2 Thin Films During Photodegradation of Methylene Blue

    NASA Astrophysics Data System (ADS)

    Hsiung, Tung Li; Wang, H. Paul; Wei, Yu-Ling

    2007-02-01

    Speciation of copper in the CuO/TiO2 thin film (synthesized by the doctor-blade deposition method) during photocatalytic decomposition of methylene blue has been studied by in situ X-ray absorption near-edge structural (XANES) spectroscopy. During the UV/VIS radiation (90 min), in the presence of methylene blue, a decrease of Cu(II) and an increases of Cu(0) and Cu(I) fractions in the CuO/TiO2 thin film are observed by in situ XANES. The r-space Fourier transformation EXAFS (extend X-ray absorption fine structural) spectra also show that the bond distance of Cu-O in the thin film is decreased by 0.03 Å during photocatalytic degradation of methylene blue.

  12. In Situ XANES Study of CuO/TiO2 Thin Films During Photodegradation of Methylene Blue

    SciTech Connect

    Hsiung Tungli; Wang, H. Paul; Wei Yuling

    2007-02-02

    Speciation of copper in the CuO/TiO2 thin film (synthesized by the doctor-blade deposition method) during photocatalytic decomposition of methylene blue has been studied by in situ X-ray absorption near-edge structural (XANES) spectroscopy. During the UV/VIS radiation (90 min), in the presence of methylene blue, a decrease of Cu(II) and an increases of Cu(0) and Cu(I) fractions in the CuO/TiO2 thin film are observed by in situ XANES. The r-space Fourier transformation EXAFS (extend X-ray absorption fine structural) spectra also show that the bond distance of Cu-O in the thin film is decreased by 0.03 A during photocatalytic degradation of methylene blue.

  13. Theoretical study of piezoelectrochemical reactions in molecular compression chambers: In-situ generation of molecular hydrogen

    NASA Astrophysics Data System (ADS)

    Pichierri, Fabio

    2016-09-01

    Nitrogen-containing molecular compression chambers (MCCs) undergo stepwise protonation followed by a 2-electron reduction step which affords molecular hydrogen in situ. This piezoelectrochemical reaction is favored by the high compression that characterizes the molecular skeleton of MCC and its fluorinated analogue. Besides H2, the MCCs are also capable of trapping molecular fluorine and the small monoatomic gases helium and neon. A topological analysis of the electronic charge density reveals the presence of closed-shell interactions between hosts and guests.

  14. In situ Brillouin study of sodium alumino silicate glasses under pressure

    NASA Astrophysics Data System (ADS)

    Sonneville, C.; De Ligny, D.; Mermet, A.; Champagnon, B.; Martinet, C.; Henderson, G. H.; Deschamps, T.; Margueritat, J.; Barthel, E.

    2013-08-01

    The in situ elastic and plastic behaviors of sodium aluminosilicate glasses with different degrees of depolymerization were analyzed using Brillouin spectroscopy. The observed elastic anomaly progressively vanished with depolymerization. The densification process appears to be different from that observed in pure silica glass. In the plastic regime of densified glasses hysteresis loops were observed and related to modification of the local silicon environment facilitated by the addition of sodium.

  15. Quark-hadron duality and truncated moments of nucleon structure functions

    SciTech Connect

    Psaker, A.; Melnitchouk, W.; Christy, M. E.; Keppel, C.

    2008-08-15

    We employ a novel new approach to study local quark-hadron duality using 'truncated' moments, or integrals of structure functions over restricted regions of x, to determine the degree to which individual resonance regions are dominated by leading twist. Because truncated moments obey the same Q{sup 2} evolution equations as the leading twist parton distributions, this approach makes possible for the first time a description of resonance region data and the phenomenon of quark-hadron duality directly from QCD.

  16. [Clustered regularly interspaced short palindromic repeats: structure, function and application--a review].

    PubMed

    Cui, Yujun; Li, Yanjun; Yan, Yanfeng; Yang, Ruifu

    2008-11-01

    CRISPRs (Clustered Regularly Interspaced Short Palindromic Repeats), the basis of spoligotyping technology, can provide prokaryotes with heritable adaptive immunity against phages' invasion. Studies on CRISPR loci and their associated elements, including various CAS (CRISPR-associated) proteins and leader sequences, are still in its infant period. We introduce the brief history', structure, function, bioinformatics research and application of this amazing immunity system in prokaryotic organism for inspiring more scientists to find their interest in this developing topic.

  17. Application of Mythen detector: In-situ XRD study on the thermal expansion behavior of metal indium

    NASA Astrophysics Data System (ADS)

    Du, Rong; Chen, ZhongJun; Cai, Quan; Fu, JianLong; Gong, Yu; Wu, ZhongHua

    2016-07-01

    A Mythen detector has been equipped at the beamline 4B9A of Beijing Synchrotron Radiation Facility (BSRF), which is expected to enable BSRF to perform time-resolved measurement of X-ray diffraction (XRD) full-profiles. In this paper, the thermal expansion behavior of metal indium has been studied by using the in-situ XRD technique with the Mythen detector. The indium was heated from 303 to 433 K with a heating rate of 2 K/min. The in-situ XRD full-profiles were collected with a rate of one profile per 10 seconds. Rietveld refinement was used to extract the structural parameters. The results demonstrate that these collected quasi-real-time XRD profiles can be well used for structural analysis. The metal indium was found to have a nonlinear thermal expansion behavior from room temperature to the melting point (429.65 K). The a-axis of the tetragonal unit cell expands with a biquadratic dependency on temperature, while the c-axis contracts with a cubic dependency on temperature. By the time-resolved XRD measurements, it was observed that the [200] preferred orientation can maintain to about 403.15 K. While (110) is the last and detectable crystal plane just before melting of the polycrystalline indium foil. This study is not only beneficial to the application of metal indium, but also exhibits the capacity of in-situ time-resolved XRD measurements at the X-ray diffraction station of BSRF.

  18. In situ scanning tunneling microscopy study of Ca-modified rutile TiO2(110) in bulk water

    PubMed Central

    Bonanni, Beatrice; Kosmala, Tomasz; Di Giovannantonio, Marco; Diebold, Ulrike; Wandelt, Klaus; Goletti, Claudio

    2015-01-01

    Summary Despite the rising technological interest in the use of calcium-modified TiO2 surfaces in biomedical implants, the Ca/TiO2 interface has not been studied in an aqueous environment. This investigation is the first report on the use of in situ scanning tunneling microscopy (STM) to study calcium-modified rutile TiO2(110) surfaces immersed in high purity water. The TiO2 surface was prepared under ultrahigh vacuum (UHV) with repeated sputtering/annealing cycles. Low energy electron diffraction (LEED) analysis shows a pattern typical for the surface segregation of calcium, which is present as an impurity on the TiO2 bulk. In situ STM images of the surface in bulk water exhibit one-dimensional rows of segregated calcium regularly aligned with the [001] crystal direction. The in situ-characterized morphology and structure of this Ca-modified TiO2 surface are discussed and compared with UHV-STM results from the literature. Prolonged immersion (two days) in the liquid leads to degradation of the overlayer, resulting in a disordered surface. X-ray photoelectron spectroscopy, performed after immersion in water, confirms the presence of calcium. PMID:25821684

  19. In situ AFM crystal growth and dissolution study of calcite in the presence of aqueous fluoride

    NASA Astrophysics Data System (ADS)

    Vavouraki, A.; Putnis, C. V.; Putnis, A.; Koutsoukos, P. G.

    2009-04-01

    Fluoride is naturally abundant, encountered in rocks, soil and fresh and ocean water. Calcite crystals, during crystal growth may incorporate fluoride ions into their lattice (Okumura et al., 1983). In situ atomic force microscopy (AFM) has been used to study the growth and dissolution of calcite {104} surfaces in aqueous solutions in the presence of fluoride, using a fluid cell in which the supersaturated and the understaturated solutions respectively, flow over a freshly cleaved calcite crystal. For growth experiments, supersaturation index (S.I.) with respect to calcite was equal to 0.89 and the initial solution pH 10.2. The crystal growth rates were measured from the closure of the rhombohedral etch pits along the [010] direction induced by an initial dissolution step using pure water. The spreading rate of 2-dimensional nuclei was also measured along the same direction. In the presence of low fluoride concentrations (≤0.33 mM), the crystal growth rate of calcite was unaffected. At higher concentrations (up to 5 mM) growth rate decreased substantially to 50% of the rate in the absence of fluoride. Potential fluoride sorption over the calcite surface may ascribe the decrease of growth rates. Dissolution experiments were conducted at pH= 7.2 and dissolution rates of calcite were measured from the spreading of rhombohedral etch pits along both [010] and [42] directions. The presence of low concentrations of fluoride (≤1.1 mM) in the undersaturated solutions enhanced the dissolution rate along the [42] direction by 50% in comparison with pure water. The morphology of rhombohedral etch pits changed to hexagonal in the presence of fluoride in the undersaturated solutions. The AFM dissolution experiments suggested that the fluoride ions adsorbed onto the calcite surface. Further increase of fluoride concentrations (up to 1.6 mM) resulted in the decrease of the calcite dissolution rate by 60% in both [010] and [42] directions. Reference: Okumura, M, Kitano, Y

  20. In-situ Micro-structural Studies of Gas Hydrate Formation in Sedimentary Matrices

    NASA Astrophysics Data System (ADS)

    Kuhs, Werner F.; Chaouachi, Marwen; Falenty, Andrzej; Sell, Kathleen; Schwarz, Jens-Oliver; Wolf, Martin; Enzmann, Frieder; Kersten, Michael; Haberthür, David

    2015-04-01

    The formation process of gas hydrates in sedimentary matrices is of crucial importance for the physical and transport properties of the resulting aggregates. This process has never been observed in-situ with sub-micron resolution. Here, we report on synchrotron-based micro-tomographic studies by which the nucleation and growth processes of gas hydrate were observed in different sedimentary matrices (natural quartz, glass beds with different surface properties, with and without admixtures of kaolinite and montmorillonite) at varying water saturation. The nucleation sites can be easily identified and the growth pattern is clearly established. In under-saturated sediments the nucleation starts at the water-gas interface and proceeds from there to form predominantly isometric single crystals of 10-20μm size. Using a newly developed synchrotron-based method we have determined the crystallite size distributions (CSD) of the gas hydrate in the sedimentary matrix confirming in a quantitative and statistically relevant manner the impressions from the tomographic reconstructions. It is noteworthy that the CSDs from synthetic hydrates are distinctly smaller than those of natural gas hydrates [1], which suggest that coarsening processes take place in the sedimentary matrix after the initial hydrate formation. Understanding the processes of formation and coarsening may eventually permit the determination of the age of gas hydrates in sedimentary matrices [2], which are largely unknown at present. Furthermore, the full micro-structural picture and its evolution will enable quantitative digital rock physics modeling to reveal poroelastic properties and in this way to support the exploration and exploitation of gas hydrate resources in the future. [1] Klapp S.A., Hemes S., Klein H., Bohrmann G., McDonald I., Kuhs W.F. Grain size measurements of natural gas hydrates. Marine Geology 2010; 274(1-4):85-94. [2] Klapp S.A., Klein H, Kuhs W.F. First determination of gas hydrate

  1. Studies on different iron source absorption by in situ ligated intestinal loops of broilers.

    PubMed

    Jia, Y F; Jiang, M M; Sun, J; Shi, R B; Liu, D S

    2015-02-01

    The objective of this study was to investigate the iron source absorption in the small intestine of broiler. In situ ligated intestinal loops of 70 birds were poured into one of seven solutions, including inorganic iron (FeSO4, Fe2(SO4)3), organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)), the mixtures (FeSO4 with glycine (Fe+Gly(II)), Fe2(SO4)3 with glycine (Fe+Gly(III)), and no Fe source (control). The total volume of 3-mL solution (containing 1 mg of elemental Fe) was injected into intestinal loops, and then 120-min incubation was performed. Compared with inorganic iron groups, in which higher FeSO4 absorption than Fe2(SO4)3 was observed, supplementation with organic Fe glycine chelate significantly increased the Fe concentration in the duodenum and jejunum (P < 0.05), however, decreased DMT1 and DcytB messenger RNA (mRNA) levels (P < 0.05). Organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)) increased serum iron concentration (SI), compared with inorganic 3 valence iron groups (Fe2(SO4)3 and Fe+Gly(III)) (P < 0.05); moreover, lower TIBC value was observed for the chelate (P < 0.05); however, mixture of inorganic iron and glycine did not have a positive role at DMT1 and DcytB mRNA levels, SI and Fe concentrations in the small intestine. Those results indicated that the absorption of organic Fe glycine chelate was more effective than that of inorganic Fe, and the orders of iron absorption in the small intestine were: Fe-Gly(II), Fe-Gly(III) > FeSO4, Fe+Gly(II) > Fe2(SO4)3, Fe+Gly(III). Additionally, the simple mixture of inorganic iron and glycine could not increase Fe absorption, and the duodenum was the main site of Fe absorption in the intestines of broilers and the ileum absorbed iron rarely.

  2. Thermal decomposition of t-butylamine borane studied by in situ solid state NMR

    SciTech Connect

    Feigerle, J.; Smyrl, N. R.; Morrell, J. S.; Stowe, A. C.

    2010-03-18

    of the amine borane fuel more feasible [22]. In the present study, tert-butylamine borane is investigated by heteronuclear in situ solid state NMR to understand hydrogen release from a hydrocarbon containing amine borane. tbutylamine borane has similar physical properties to amine borane with a melting point of 96 C. A single proton has been replaced with a t-butylamine group resulting in a weakening of the dihydrogen bonding framework. t-butylamine borane has a theoretical gravimetric hydrogen density of 15.1%; however, isobutane can also be evolved rather than hydrogen. If decomposition yields one mole isobutane and two moles hydrogen, 4.5 wt% H2 gas will be evolved. More importantly for the present work, the resulting spent fuel should be comprised of both (BNH)n and (CBNH)n polyimidoboranes.

  3. In-situ Dehydration Studies of Fully K- Rb- and Cs-exchanged Natrolites

    SciTech Connect

    Y Lee; D Seoung; D Liu; M Park; S Hong; H Chen; J Bai; C Kao; T Vogt; Y Lee

    2011-12-31

    In-situ synchrotron X-ray powder diffraction studies of K-, Rb-, and Cs-exchanged natrolites between room temperature and 425 C revealed that the dehydrated phases with collapsed frameworks start to form at 175, 150, and 100 C, respectively. The degree of the framework collapse indicated by the unit-cell volume contraction depends on the size of the non-framework cation: K-exchanged natrolite undergoes an 18.8% unit-cell volume contraction when dehydrated at 175 C, whereas Rb- and Cs-exchanged natrolites show unit-cell volume contractions of 18.5 and 15.2% at 150 and 100 C, respectively. In the hydrated phases, the dehydration-induced unit-cell volume reduction diminishes as the cation size increases and reveals increasingly a negative slope as smaller cations are substituted into the pores of the natrolite structure. The thermal expansion of the unit-cell volumes of the dehydrated K-, Rb-, and Cs-phases have positive thermal expansion coefficients of 8.80 x 10{sup -5} K{sup -1}, 1.03 x 10{sup -4} K{sup 01}, and 5.06 x 10{sup -5} K{sup -1}, respectively. Rietveld structure refinements of the dehydrated phases at 400 C reveal that the framework collapses are due to an increase of the chain rotation angles, {Psi}, which narrow the channels to a more elliptical shape. Compared to their respective hydrated structures at ambient conditions, the dehydrated K-exchanged natrolite at 400 C shows a 2.2-fold increase in {Psi}, whereas the dehydrated Rb- and Cs-natrolites at 400 C reveal increases of {Psi} by ca. 3.7 and 7.3 times, respectively. The elliptical channel openings of the dehydrated K-, Rb-, to Cs-phases become larger as the cation size increases. The disordered non-framework cations in the hydrated K-, Rb-, and Cs-natrolite order during dehydration and the subsequent framework collapse. The dehydrated phases of Rb- and Cs-natrolite can be stabilized at ambient conditions.

  4. In-Situ Neutron Diffraction Studies of Complex Hydrogen Storage Materials

    SciTech Connect

    Yelon, William B.

    2013-05-13

    should make it a very valuable resource for the study of oxides being considered for application to solid oxide fuel cells (SOFCs), in that materials can be studied at potential operating temperatures in both reducing and oxidizing environments to determine their stoichiometry, and lattice parameters. Our research, which was predicated, in part, on the use of hydrogenous samples (as opposed to deuteration), demonstrated that such studies are feasible and can yield high quality, refinable data. The precision of the refined hydrogen positions appears to be more than adequate for theory calculations (molecular modeling-thermodynamics) and the uncertainty is certainly less than that achieved by attempting to extrapolate the hydrogen positions from refined deuterium positions. In fact the 2008 annual report from the Institute Laue Langevin (ILL), the world's premier neutron scattering laboratory, highlights: Another trend is the increasing interest in hydrogen. This defies the widespread assumption that neutron diffraction experiments need to be done at deuterated samples. In situ experiments on phase transitions involving hydrogen and in particular on the real time behaviour of hydrogen-storage systems increase in number and scope. Our work in this area predates the ILL efforts be several years. Unfortunately, the productivity of our program was significantly curtailed by the unavailability of the MURR powder diffractometer for almost all of the second years of the project. The diffractometer was disassembled to allow partial extraction of the beam tube and replacement of the graphite element that is penetrated by the beam tube. Re-commissioning of the instrument was substantially delayed by errors of the MURR engineering staff, which failed to properly reinstall the sapphire filter that conditions the beam prior to the neutron monochromator, and reduces the radiological background to acceptable levels.

  5. Combined In-Situ XRD and In-Situ XANES Studies on the Reduction Behavior of a Rhenium Promoted Cobalt Catalyst

    SciTech Connect

    Kumar, Nitin; Payzant, E Andrew; Jothimurugesan, K; Spivey, James J

    2011-01-01

    A 10% Co 4% Re/(2% Zr/SiO2) catalyst was prepared by co-impregnation using a silica support modified by 2% Zr. The catalyst was characterized by temperature programmed reduction (TPR), in situ XRD and in situ XANES analysis where it was simultaneously exposed to H2 using a temperature programmed ramp. The results showed the two step reduction of large crystalline Co3O4 with CoO as an intermediate. TPR results showed that the reduction of highly dispersed Co3O4 was facilitated by reduced rhenium by a H2-spillover mechanism. In situ XRD results showed the presence of both, Co-hcp and Co-fcc phases in the reduced catalyst at 400 C. However, the Co-hcp phase was more abundant, which is thought to be the more active phase as compared to the Co-fcc phase for CO hydrogenation. CO hydrogenation at 270 C and 5 bar pressure produces no detectable change in the phases during the time of experiment. In situ XANES results showed a decrease in the metallic cobalt in the presence of H2/CO, which can be attributed due to oxidation of the catalyst by reaction under these conditions.

  6. Structure-Function-Property-Design Interplay in Biopolymers: Spider Silk

    PubMed Central

    Tokareva, Olena; Jacobsen, Matthew; Buehler, Markus; Wong, Joyce; Kaplan, David L.

    2013-01-01

    Spider silks have been a focus of research for almost two decades due to their outstanding mechanical and biophysical properties. Recent advances in genetic engineering have led to the synthesis of recombinant spider silks, thus helping to unravel a fundamental understanding of structure-function-property relationships. The relationships between molecular composition, secondary structures, and mechanical properties found in different types of spider silks are described, along with a discussion of artificial spinning of these proteins and their bioapplications, including the role of silks in biomineralization and fabrication of biomaterials with controlled properties. PMID:23962644

  7. Experimental investigation of Lagrangian structure functions in turbulence.

    PubMed

    Berg, Jacob; Ott, Søren; Mann, Jakob; Lüthi, Beat

    2009-08-01

    Lagrangian properties obtained from a particle tracking velocimetry experiment in a turbulent flow at intermediate Reynolds number are presented. Accurate sampling of particle trajectories is essential in order to obtain the Lagrangian structure functions and to measure intermittency at small temporal scales. The finiteness of the measurement volume can bias the results significantly. We present a robust way to overcome this obstacle. Despite no fully developed inertial range, we observe strong intermittency at the scale of dissipation. The multifractal model is only partially able to reproduce the results. PMID:19792258

  8. SLAC measurements of the neutron spin-structure function

    SciTech Connect

    Petratos, G.G.; E142 Collaboration

    1993-11-01

    Results from a measurement of the neutron spin-dependent structure function g{sub 1}{sup n}(x) over a range in x from 0.03 to 0.6 and with Q{sup 2} > 1 (GeV/c){sup 2} are presented. The experiment consisted of scattering a longitudinally polarized electron beam from the Stanford Linear Accelerator off a polarized {sup 3}He target and detecting scattered electrons in two magnetic spectrometers. The results are interpreted in the quark-parton model and used to test the Bjorken sum rule.

  9. Moments of the neutron g₂ structure function at intermediate Q²

    SciTech Connect

    Solvignon-Slifer, Patricia H.

    2015-07-15

    We present new experimental results of the ³He spin structure function g₂ in the resonance region at Q² values between 1.2 and 3.0 (GeV/c)². Spin dependent moments of the neutron were then extracted.Our main result, the inelastic contribution to the neutron d₂ matrix element, was found to be small (Q²) = 2.4 (GeV/c)² and in agreement with the Lattice QCD calculation. The Burkhardt-Cottingham sum rule for ³He neutron was tested with the measured data and using the Wandzura-Wilczek relation for the low x unmeasured region.

  10. Time-resolved, in situ DRIFTS/EDE/MS studies on alumina-supported rhodium catalysts: effects of ceriation and zirconiation on rhodium-CO interactions.

    PubMed

    Kroner, Anna B; Newton, Mark A; Tromp, Moniek; Roscioni, Otello M; Russell, Andrea E; Dent, Andrew J; Prestipino, Carmelo; Evans, John

    2014-10-01

    The effects of ceria and zirconia on the structure-function properties of supported rhodium catalysts (1.6 and 4 wt % Rh/γ-Al2O3) during CO exposure are described. Ceria and zirconia are introduced through two preparation methods: 1) ceria is deposited on γ-Al2O3 from [Ce(acac)3] and rhodium metal is subsequently added, and 2) through the controlled surface modification (CSM) technique, which involves the decomposition of [M(acac)x] (M=Ce, x=3; M=Zr, x=4) on Rh/γ-Al2O3. The structure-function correlations of ceria and/or zirconia-doped rhodium catalysts are investigated by diffuse reflectance infrared Fourier-transform spectroscopy/energy-dispersive extended X-ray absorption spectroscopy/mass spectrometry (DRIFTS/EDE/MS) under time-resolved, in situ conditions. CeOx and ZrO2 facilitate the protection of Rh particles against extensive oxidation in air and CO. Larger Rh core particles of ceriated and zirconiated Rh catalysts prepared by CSM are observed and compared with Rh/γ-Al2O3 samples, whereas supported Rh particles are easily disrupted by CO forming mononuclear Rh geminal dicarbonyl species. DRIFTS results indicate that, through the interaction of CO with ceriated Rh particles, a significantly larger amount of linear CO species form; this suggests the predominance of a metallic Rh phase. PMID:25044889

  11. In situ Raman study of dissolved CaCO3 minerals under subduction zone conditions

    NASA Astrophysics Data System (ADS)

    Facq, S.; Daniel, I.; Sverjensky, D. A.

    2012-12-01

    The fate and the characteristics of the Earth's deep carbon reservoirs are still not well understood [1]. The connection between the surficial and the deep-Earth carbon cycles occurs at subduction zones where carbon is transported into the mantle and where hydrous silicates and carbonate minerals break down releasing H2O and C-species in fluids associated with mantle metasomatism and the generation of arc volcanism [2]. In order to obtain mass balance between recycling and burial in the deep mantle, the study of the dissolution of CaCO3 minerals in equilibrium with aqueous fluids under mantle conditions is crucial. We report a novel integrated experimental and theoretical study of the equilibration of CaCO3 minerals with aqueous solutions (pure water or NaCl solutions) at high pressures and temperatures (0.5 to 8 GPa and 250 to 500 °C). The fluid speciation was studied using in situ Raman spectroscopy coupled to an externally heated membrane type DAC equipped with 500 μm pure synthetic diamond anvils. In a typical experiment, the aqueous fluid and a calcite crystal [3] were loaded in a rhenium gasket. The pressure was determined from the calibrated shift of the carbonate υ1 symmetric stretching mode of aragonite and the temperature measured with a K-type thermocouple. Raman spectra were recorded using a Labram HR800 Raman spectrometer (Horiba Jobin-Yvon) coupled to a Spectra Physics Ar+ laser. At equilibrium with an aragonite crystal, the Raman data show that bicarbonate is the most abundant species in low-pressure fluids (below 4 GPa) whereas carbonate becomes progressively dominant at higher pressure. After correction from their Raman cross-sections [4], the relative amounts of dissolved carbonate and bicarbonate were estimated from the areas of the Raman bands of the carbonate and bicarbonate ions (υ1 and υ5 symmetric stretching modes, respectively). The presence of sodium chloride influences the speciation by extending the pressure field where the

  12. Twist expansion of Drell-Yan structure functions in color dipole approach

    NASA Astrophysics Data System (ADS)

    Motyka, Leszek; Sadzikowski, Mariusz; Stebel, Tomasz

    2015-05-01

    The forward Drell-Yan process at the LHC probes the proton structure at a very small Bjorken- x and moderate hard scales. In this kinematical domain higher twist effects may be significant and introduce sizeable corrections to the standard leading twist description. We study the forward Drell-Yan process beyond the leading twist approximation within the color dipole model framework that incorporates multiple scattering effects. We derive the Mellin representation of the forward Drell-Yan impact factors for fully differential cross-sections. These results combined with the color dipole cross-section of the saturation model are used to perform the twist expansion of the Drell-Yan structure functions at arbitrary transverse momentum q T of the Drell-Yan pair and also of the structure functions integrated over q T . We also investigate the Lam-Tung relation, find that it is broken at twist 4 and provide explicit estimates for the breaking term.

  13. HSV hepatitis in the mouse: a light and electron microscopic study with immunohistology and in situ hybridization.

    PubMed

    Schirmacher, P; Wörsdörfer, M; Lübbe, K; Falke, D; Thoenes, W; Dienes, H P

    1989-01-01

    In order to characterize better the morphology and immune response in acute necrotizing HSV infection, murine HSV hepatitis was examined. BALB/c mice were inoculated intraperitoneally with 10(6) plaque-forming units (PFU) of HSV-1 (Lenette) and HSV-2 (D316). In both groups half the animals were pretreated with silica particles to block macrophage function. Up to 6 days after infection four mice from each group were sacrificed at daily intervals and the livers were examined by light and electron microscopy, immunohistology, in situ hybridization, combined immunohistology/in situ hybridization and titration of viral PFU. HSV-2 infected mice developed severe necrotizing hepatitis with persistence of HSV in the liver tissue until the end of the study. HSV-1 infected mice rapidly eliminated the virus and revealed only small necrotic foci. Early phase alterations and necrotic phase lesions were distinguished and characterized and morphologic evidence of a direct cytopathic effect of HSV was detected. A specific immune reaction in late stages appeared to be mediated by T4-positive T-lymphocytes. In situ hybridization and immunohistochemistry showed a close correlation with virus titration and were valuable in characterizing early phases and in the assessment of prognosis and differential diagnosis.

  14. The fundamental structure function of oscillator noise models

    NASA Technical Reports Server (NTRS)

    Greenhall, C. A.

    1983-01-01

    Continuous-time models of oscillator phase noise x(t) usually have stationary nth differences, for some n. The covariance structure of such a model can be characterized in the time domain by the structure function: D sub n (t;gamma sub 1, gamma sub 2) = E delta (n) sub gamma sub 1 x(s+t) delta(n) sub gamma sub 2 x (s). Although formulas for the special case D sub 2 (0;gamma,gamma) (the Allan variance times 2 gamma(2)) exist for power-law spectral models, certain estimation problems require a more complete knowledge of (0). Exhibited is a much simpler function of one time variable, D(t), from which (0) can easily be obtained from the spectral density by uncomplicated integrations. Believing that D(t) is the simplest function of time that holds the same information as (0), D(t) is called the fundamental structure function. D(t) is computed for several power-law spectral models. Two examples are D(t) = K/t/(3) for random walk FM, D(t) = Kt(2) 1n/t/ for flicker FM. Then, to demonstrate its use, a BASIC program is given that computes means and variances of two Allan variance estimators, one of which incorporates a method of frequency drift estimation and removal.

  15. Tensor-polarized structure functions: Tensor structure of deuteron in 2020's

    NASA Astrophysics Data System (ADS)

    Kumano, S.

    2014-10-01

    We explain spin structure for a spin-one hadron, in which there are new structure functions, in addition to the ones (F1, F2, g1, g2) which exist for the spin-1/2 nucleon, associated with its tensor structure. The new structure functions are b1, b2, b3, and b4 in deep inelastic scattering of a charged-lepton from a spin-one hadron such as the deuteron. Among them, twist- two functions are related by the Callan-Gross type relation b2 = 2xb1 in the Bjorken scaling limit. First, these new structure functions are introduced, and useful formulae are derived for projection operators of b1-4 from a hadron tensor Wμν. Second, a sum rule is explained for b1, and possible tensor-polarized distributions are discussed by using HERMES data in order to propose future experimental measurements and to compare them with theoretical models. A proposal was approved to measure b1 at the Thomas Jefferson National Accelerator Facility (JLab), so that much progress is expected for b1 in the near future. Third, formalisms of polarized proton-deuteron Drell-Yan processes are explained for probing especially tensor- polarized antiquark distributions, which were suggested by the HERMES data. The studies of the tensor-polarized structure functions will open a new era in 2020's for tensor-structure studies in terms of quark and gluon degrees of freedom, which are very different from ordinary descriptions in terms of nucleons and mesons.

  16. Applicability study of using in-situ gamma-ray spectrometry technique for 137Cs and 210Pb(ex) inventories measurement in grassland environments.

    PubMed

    Li, Junjie; Li, Yong; Wang, Yanglin; Wu, Jiansheng; Funk, Roger; Hoffmann, Carsten

    2010-06-01

    In-situ measurement of fallout radionuclides (137)Cs and (210)Pb(ex) has the potential to assess soil erosion and sedimentation rapidly. In this study, inventories of (137)Cs and (210)Pb(ex) in the soil of Inner Mongolia grassland were measured using an In-situ Object Counting System (ISOCS). The results from the field study indicate that in-situ gamma-ray spectrometry has the following advantages over traditional laboratory measurements: no extra time is required for sample collection, no reference inventories are required, more economic, prompt availability of the results, the ability to average radionuclide inventory over a large area, and high precision. PMID:20133146

  17. In situ chemical fixation of arsenic-contaminated soils: Anexperimental study

    SciTech Connect

    Yang, Li; Donahoe, Rona J.; Redwine, James C.

    2007-03-27

    This paper reports the results of an experimentalstudytesting a low-cost in situ chemical fixation method designed to reclaimarsenic-contaminated subsurface soils. Subsurface soils from severalindustrial sites in southeastern U.S. were contaminated with arsenicthrough heavy application of herbicide containing arsenic trioxide. Themean concentrations of environmentally available arsenic in soilscollected from the two study sites, FW and BH, are 325 mg/kg and 900mg/kg, respectively. The soils are sandy loams with varying mineralogicaland organic contents. The previous study [Yang L, Donahoe RJ. The form,distribution and mobility of arsenic in soils contaminated by arsenictrioxide, at sites in Southeast USA. Appl Geochem 2007;22:320 341]indicated that a large portion of the arsenic in both soils is associatedwith amorphous aluminum and iron oxyhydroxides and shows very slowrelease against leaching by synthetic precipitation. The soil's amorphousaluminum and iron oxyhydroxides content was found to have the mostsignificant effect on its ability to retain arsenic.Based on thisobservation, contaminated soils were reacted with different treatmentsolutions in an effort to promote the formation of insolublearsenic-bearing phases and thereby decrease the leachability of arsenic.Ferrous sulfate, potassium permanganate and calcium carbonate were usedas the reagents for the chemical fixation solutions evaluated in threesets of batch experiments: (1) FeSO4; (2) FeSO4 and KMnO4; (3) FeSO4,KMnO4 and CaCO3. The optimum treatment solutions for each soil wereidentified based on the mobility of arsenic during sequential leaching oftreated and untreated soils using the fluids described in EPA Method 1311[USEPA. Method 1311: toxicity characteristic leaching procedure. Testmethods for evaluating solid waste, physical/chemical methods. 3rd ed.Washington, DC: U.S. Environmental Protection Agency, Office of SolidWaste. U.S. Government Printing Office; 1992]toxic characteristicsleaching

  18. Heterogeneously catalysed partial oxidation of acrolein to acrylic acid--structure, function and dynamics of the V-Mo-W mixed oxides.

    PubMed

    Kampe, Philip; Giebeler, Lars; Samuelis, Dominik; Kunert, Jan; Drochner, Alfons; Haass, Frank; Adams, Andreas H; Ott, Joerg; Endres, Silvia; Schimanke, Guido; Buhrmester, Thorsten; Martin, Manfred; Fuess, Hartmut; Vogel, Herbert

    2007-07-21

    The major objective of this research project was to reach a microscopic understanding of the structure, function and dynamics of V-Mo-(W) mixed oxides for the partial oxidation of acrolein to acrylic acid. Different model catalysts (from binary and ternary vanadium molybdenum oxides up to quaternary oxides with additional tungsten) were prepared via a solid state preparation route and hydrochemical preparation of precursors by spray-drying or crystallisation with subsequent calcination. The phase composition was investigated ex situ by XRD and HR-TEM. Solid state prepared samples are characterised by crystalline phases associated to suitable phase diagrams. Samples prepared from crystallised and spray-dried precursors show crystalline phases which are not part of the phase diagram. Amorphous or nanocrystalline structures are only found in tungsten doped samples. The kinetics of the partial oxidation as well as the catalysts' structure have been studied in situ by XAS, XRD, temperature programmed reaction and reduction as well as by a transient isotopic tracing technique (SSITKA). The reduction and re-oxidation kinetics of the bulk phase have been evaluated by XAS. A direct influence not only of the catalysts' composition but also of the preparation route is shown. Altogether correlations are drawn between structure, oxygen dynamics and the catalytic performance in terms of activity, selectivity and long-term stability. A model for the solid state behaviour under reaction conditions has been developed. Furthermore, isotope exchange experiments provided a closer image of the mechanism of the selective acrolein oxidation. Based on the in situ characterisation in combination with micro kinetic modelling a detailed reaction model which describes the oxygen exchange and the processes at the catalyst more precisely is discussed. PMID:17612723

  19. Heterogeneously catalysed partial oxidation of acrolein to acrylic acid--structure, function and dynamics of the V-Mo-W mixed oxides.

    PubMed

    Kampe, Philip; Giebeler, Lars; Samuelis, Dominik; Kunert, Jan; Drochner, Alfons; Haass, Frank; Adams, Andreas H; Ott, Joerg; Endres, Silvia; Schimanke, Guido; Buhrmester, Thorsten; Martin, Manfred; Fuess, Hartmut; Vogel, Herbert

    2007-07-21

    The major objective of this research project was to reach a microscopic understanding of the structure, function and dynamics of V-Mo-(W) mixed oxides for the partial oxidation of acrolein to acrylic acid. Different model catalysts (from binary and ternary vanadium molybdenum oxides up to quaternary oxides with additional tungsten) were prepared via a solid state preparation route and hydrochemical preparation of precursors by spray-drying or crystallisation with subsequent calcination. The phase composition was investigated ex situ by XRD and HR-TEM. Solid state prepared samples are characterised by crystalline phases associated to suitable phase diagrams. Samples prepared from crystallised and spray-dried precursors show crystalline phases which are not part of the phase diagram. Amorphous or nanocrystalline structures are only found in tungsten doped samples. The kinetics of the partial oxidation as well as the catalysts' structure have been studied in situ by XAS, XRD, temperature programmed reaction and reduction as well as by a transient isotopic tracing technique (SSITKA). The reduction and re-oxidation kinetics of the bulk phase have been evaluated by XAS. A direct influence not only of the catalysts' composition but also of the preparation route is shown. Altogether correlations are drawn between structure, oxygen dynamics and the catalytic performance in terms of activity, selectivity and long-term stability. A model for the solid state behaviour under reaction conditions has been developed. Furthermore, isotope exchange experiments provided a closer image of the mechanism of the selective acrolein oxidation. Based on the in situ characterisation in combination with micro kinetic modelling a detailed reaction model which describes the oxygen exchange and the processes at the catalyst more precisely is discussed.

  20. In situ spectroscopic applications to the study of rechargeable lithium batteries. Final report

    SciTech Connect

    Barbour, R.; Kim, Sunghyun; Tryk, D.; Scherson, D.A.

    1993-08-01

    In situ attenuated total reflection Fourier transform infrared spectroscopy (ATR/FTIR) has been employed to examine the reactivity of lithium toward polyethylene oxide (PEO) at ca. 60{degree}C. Uncertainties regarding the cleanliness of the Li surfaces were, minimized by electrodepositing a film of metallic Li directly onto a thin layer of gold (ca. 60 {Angstrom}) vapor deposited on a Ge ATR optical element during the spectroscopic measurements. The ATR/FTIR features observed upon stripping the Li layer were consistent with the formation of alkoxide-type moieties resulting from the Li-induced cleavage of the ether-type functionalities. Electronic and structural aspects of the electrochemical insertion of lithium from non-aqueous electroyltes into FeS{sub 2} have been investigated using in situ Fe K-edge X-ray absorption fine structure (XAFS). The results obtained indicate that the incorporation of Li{sup +} in the pyrite lattice brings about a marked decrease in the amplitude of the extended XAFS (EXAFS) oscillations, particularly for shells associated with distant atoms and a rounding of the, X-ray absorption near edge structure (XANES) region. An analysis of the EXAFS spectra yielded a value for the FeS distance of 2.29 {plus_minus} 0.02 {Angstrom}. On this basis and additional in situ room temperature {sup 57}Fe Mossbauer effect spectroscopy data for the same system it has been proposed that the electrically formed material involves a highly disordered (possibly amorphous) form of Fe{sub l-x}S (with Li+ counterbalancing the charge).

  1. Studies on synthesis of in-situ Al-TiC metal matrix composites

    NASA Astrophysics Data System (ADS)

    Rai, R. N.; Saha, S. C.; Datta, G. L.; Chakraborty, M.

    2016-03-01

    In the present research work, synthesis and characterization of in-situ Al-TiC composites reinforced with ceramic phases was carried out. The formation of undesirable TiAl3 particles could be avoided justifying the correct procedural requirement adopted while preparing Al-TiC composites. It was observed that distributions of reinforced particles were uniform along the grain boundaries. It was also observed that the average size of the TiC particles was of 0.5 μm. It was also noted that the presence of TiC particles in the composite enhances the yield strength and hardness substantially.

  2. An in situ study of resin-assisted solvothermal metal-organic framework synthesis

    NASA Astrophysics Data System (ADS)

    Moorhouse, Saul J.; Wu, Yue; O'Hare, Dermot

    2016-04-01

    A newly developed in situ monochromatic high-energy X-ray diffraction setup was used to investigate the synthesis of MOFs using cation-impregnated polymer resin beads as a ion source. The Co-NDC-DMF (NDC=2,6-naphthalenedicarboxylate; DMF=dimethylformamide) system was investigated, a system which is known to produce at least three distinct frameworks. It was found that the resin-assisted synthesis results in the preferential formation of a topology previously impossible to synthesise in bulk, while the comparable nitrate-salt synthesis appeared to form an alternative phases. It was also found that the resin-assisted synthesis is highly diffusion-controlled.

  3. Study of nitrogen doping of graphene via in-situ transport measurements

    NASA Astrophysics Data System (ADS)

    Zhao, Rong; Afaneh, Tareq; Dharmasena, Ruchira; Jasinski, Jacek; Sumanasekera, Gamini; Henner, Victor

    2016-06-01

    Here we report in-situ monitoring of electrical transport properties of graphene subjected to sequential and controlled nitrogen plasma doping. The nitrogen is presumed to be incorporated in to the carbon lattice of graphene by making covalent bonding as observed by the swinging of the sign of the thermopower from (initial) positive to (eventual) negative. Electrical transport properties for nitrogen-doped graphene are believed to be governed by the enhanced scattering due to nitrogen dopants and presence of localized states in the conduction band induced by doping. Our results are well supported by Raman and XPS results.

  4. F4TCNQ-Induced Exciton Quenching Studied by Using in-situ Photoluminescence Measurements

    NASA Astrophysics Data System (ADS)

    Zhu, Jian; Lu, Min; Wu, Bo; Hou, Xiao-Yuan

    2012-09-01

    The role of F4TCNQ as an exciton quenching material in thin organic light-emitting films is investigated by means of in situ photoluminescence measurements. C60 was used as another quenching material in the experiment for comparison, with Alq3 as a common organic light-emitting material. The effect of the growth sequence of the materials on quenching was also examined. It is found that the radius of Förster energy transfer between F4TCNQ and Alq3 is close to 0 nm and Dexter energy transfer dominates in the quenching process.

  5. Rotating Pip Detection and Stall Warning in High-Speed Compressors Using Structure Function

    NASA Technical Reports Server (NTRS)

    Bright, Michelle M.; Qammar, Helen; Vhora, Hanif; Schaffer, Michael

    1999-01-01

    A statistic for both rotating pip and incipient stall detection, called Structure Function is introduced for use in high speed research compressor environments. Experimental studies on stall inception processes have long observed two types of pre-stall compressor activity. Presently there exist methods for indicating modal stall precursive events in the compressor. This is a first application of a new method to detect rotating pip activity prior to stall in research compressors. The algorithm requires a very short sample of data to distinguish pip activity prior to stall, and thus may be used in a real time application. Additionally, this Structure Function algorithm is also used as a single sensor stall warning method under a variety of operating conditions, including clean inlet conditions, radially and circumferentially distorted inlet conditions, and in examples of steady air injection along the casing, and controlled air injection conditions. Structure Function provides a potential advantage over linear spectral techniques and wavelet algorithms for stall detection due to the simplicity of the algorithm and because it does not rely on a priori knowledge of frequency content.

  6. An in situ corrosion study of Middle Ages wrought iron bar chains in the Amiens Cathedral

    NASA Astrophysics Data System (ADS)

    Grassini, S.; Angelini, E.; Parvis, M.; Bouchar, M.; Dillmann, P.; Neff, D.

    2013-12-01

    The corrosion behaviour of Middle Ages wrought iron bar chains exposed to indoor atmospheric corrosion for hundred of years in the Notre Dame Cathedral of Amiens (France) has been evaluated by means of Electrochemical Impedance Spectroscopy (EIS), a well-established electrochemical technique extensively used for testing anticorrosive properties of metal coatings. The measurements have been performed in situ with a portable EIS instrument designed to work as a standalone device, in six different areas of the wrought iron bar chains characterized by different aesthetical appearance. Moreover, a properly designed electrochemical cell has been employed to carry out the impedance measurements without affecting the artefacts surfaces. The wrought iron bar chains, as evidenced by μ-Raman and microscopic analyses, are covered by corrosion products constituted by iron oxides and oxyhydroxides, such as goethite, lepidocrocite, maghemite, akaganeite, organized in complex layered structures. In situ EIS allows one to investigate the phenomena involved at the electrochemical interfaces among the various corrosion products and to assess and predict their corrosion behaviour. From the analysis of the experimental findings of this monitoring campaign, EIS measurements can be proposed to restorers/conservators as a reliable indicator of dangerous situations on which they must act for the preservation of the iron artefacts.

  7. In situ ATR-FTIR study of the early stages of fly ash geopolymer gel formation.

    PubMed

    Rees, Catherine A; Provis, John L; Lukey, Grant C; van Deventer, Jannie S J

    2007-08-14

    The kinetics of geopolymer formation are monitored using a novel in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic technique. Reaction rates are determined from the intensity variation of the bands related to the geopolymer gel network and the unreacted fly ash particles. Comparison with deuterated geopolymer samples provides critical information regarding peak assignments. An initial induction (lag) period is observed to occur for hydroxide-activated geopolymers, followed by gel evolution according to an approximately linear reaction profile. The length of the lag period is reduced by increasing the concentration of NaOH. An increase in the rate of network formation also occurs with increasing NaOH concentration up to a maximum point, beyond which an increased NaOH concentration leads to a reduced rate of network formation. This trend is attributed to the competing effects of increased alkalinity and stronger ion pairing with an increase in NaOH concentration. In situ analysis also shows that the rate of fly ash dissolution is similar for all moderate- to high-alkali geopolymer slurries, which is attributed to the very highly water-deficient nature of these systems and is contrary to predictions from classical glass dissolution chemistry. This provides for the first time detailed kinetic information describing fly ash geopolymer formation kinetics.

  8. Numerical Study on In-Situ Prominence Formation by Radiative Condensation in the Solar Corona

    NASA Astrophysics Data System (ADS)

    Kaneko, T.; Yokoyama, T.

    2015-06-01

    We propose an in situ formation model for inverse-polarity solar prominences and demonstrate it using self-consistent 2.5 dimensional MHD simulations, including thermal conduction along magnetic fields and optically thin radiative cooling. The model enables us to form cool dense plasma clouds inside a flux rope by radiative condensation, which is regarded as an inverse-polarity prominence. Radiative condensation is triggered by changes in the magnetic topology, i.e., formation of the flux rope from the sheared arcade field, and by thermal imbalance due to the dense plasma trapped inside the flux rope. The flux rope is created by imposing converging and shearing motion on the arcade field. Either when the footpoint motion is in the anti-shearing direction or when heating is proportional to local density, the thermal state inside the flux rope becomes cooling-dominant, leading to radiative condensation. By controlling the temperature of condensation, we investigate the relationship between the temperature and density of prominences and derive a scaling formula for this relationship. This formula suggests that the proposed model reproduces the observed density of prominences, which is 10-100 times larger than the coronal density. Moreover, the time evolution of the extreme ultraviolet emission synthesized by combining our simulation results with the response function of the Solar Dynamics Observatory Atmospheric Imaging Assembly filters agrees with the observed temporal and spatial intensity shift among multi-wavelength extreme ultraviolet emission during in situ condensation.

  9. In-situ spectroscopic ellipsometry study of copper selective-area atomic layer deposition on palladium

    SciTech Connect

    Jiang, Xiaoqiang; Wang, Han; Qi, Jie; Willis, Brian G.

    2014-07-01

    Selective area copper atomic layer deposition on palladium seed layers has been investigated with in-situ real-time spectroscopic ellipsometry to probe the adsorption/desorption and reaction characteristics of individual deposition cycles. The reactants are copper bis(2,2,6,6-tetramethyl-3,5-heptanedionate) vapor and hydrogen gas. Self-limiting atomic layer deposition was observed in the temperature range of 135–230 °C in a low pressure reactor. Under optimal conditions, growth occurs selectively on palladium and not on silicon dioxide or silicon nitride layers. Based on in-situ ellipsometry data and supporting experiments, a new mechanism for growth is proposed. In the proposed mechanism, precursor adsorption is reversible, and dissociatively adsorbed hydrogen are the stable surface intermediates between growth cycles. The mechanism is enabled by continuous diffusion of palladium from the seed layer into the deposited copper film and strong H* binding to palladium sites. Less intermixing can be obtained at low growth temperatures and short cycle times by minimizing Cu/Pd inter-diffusion.

  10. [In situ FTIR and XPS study on selective hydrodesulfurization catalyst of FCC gasoline].

    PubMed

    Qiherima; Yuan, Hui; Zhang, Yun-hong; Li, Hui-feng; Xu, Guang-tong

    2011-07-01

    Improvement of the selectivity of hydrodesulfurization (HDS) for hydrogenation (HYD) of olefins is crucial to produce sulfur-free (S < 0.001%) gasoline from fluid catalytic-cracked (FCC) gasoline. A series of sulfided CoMo/Al2O3 catalysts with different metal loading were prepared by pore-filling impregnation. MoS2 and COMoS active phases on the surface of sulfided COMo/Al2O3 catalyst were identified and analyzed quantitatively by XPS and in-situ FTIR of adsorbed CO. The results reveal that the increase in COMoS phase on the catalyst surface improves the HDS activity and selectivity. And the HDS selectivity correlates linearly with the ratio of active site number of CoMoS and MoS2, the higher the ratio of active site number of CoMoS and MoS2, the better the HDS selectivity. In situ variable temperature FTIR analysis shows that CoMoS phase has stronger electron accepting ability than MoS2. The strong electron deficient property of CoMoS active sites is the main reason for its excellent HDS activity and selectivity. PMID:21942017

  11. Al2O3 on Black Phosphorus by Atomic Layer Deposition: An in Situ Interface Study.

    PubMed

    Zhu, Hui; McDonnell, Stephen; Qin, Xiaoye; Azcatl, Angelica; Cheng, Lanxia; Addou, Rafik; Kim, Jiyoung; Ye, Peide D; Wallace, Robert M

    2015-06-17

    In situ "half cycle" atomic layer deposition (ALD) of Al2O3 was carried out on black phosphorus ("black-P") surfaces with modified phosphorus oxide concentrations. X-ray photoelectron spectroscopy is employed to investigate the interfacial chemistry and the nucleation of the Al2O3 on black-P surfaces. This work suggests that exposing a sample that is initially free of phosphorus oxide to the ALD precursors does not result in detectable oxidation. However, when the phosphorus oxide is formed on the surface prior to deposition, the black-P can react with both the surface adventitious oxygen contamination and the H2O precursor at a deposition temperature of 200 °C. As a result, the concentration of the phosphorus oxide increases after both annealing and the atomic layer deposition process. The nucleation rate of Al2O3 on black-P is correlated with the amount of oxygen on samples prior to the deposition. The growth of Al2O3 follows a "substrate inhibited growth" behavior where an incubation period is required. Ex situ atomic force microscopy is also used to investigate the deposited Al2O3 morphologies on black-P where the Al2O3 tends to form islands on the exfoliated black-P samples. Therefore, surface functionalization may be needed to get a conformal coverage of Al2O3 on the phosphorus oxide free samples.

  12. NUMERICAL STUDY ON IN SITU PROMINENCE FORMATION BY RADIATIVE CONDENSATION IN THE SOLAR CORONA

    SciTech Connect

    Kaneko, T.; Yokoyama, T.

    2015-06-10

    We propose an in situ formation model for inverse-polarity solar prominences and demonstrate it using self-consistent 2.5 dimensional MHD simulations, including thermal conduction along magnetic fields and optically thin radiative cooling. The model enables us to form cool dense plasma clouds inside a flux rope by radiative condensation, which is regarded as an inverse-polarity prominence. Radiative condensation is triggered by changes in the magnetic topology, i.e., formation of the flux rope from the sheared arcade field, and by thermal imbalance due to the dense plasma trapped inside the flux rope. The flux rope is created by imposing converging and shearing motion on the arcade field. Either when the footpoint motion is in the anti-shearing direction or when heating is proportional to local density, the thermal state inside the flux rope becomes cooling-dominant, leading to radiative condensation. By controlling the temperature of condensation, we investigate the relationship between the temperature and density of prominences and derive a scaling formula for this relationship. This formula suggests that the proposed model reproduces the observed density of prominences, which is 10–100 times larger than the coronal density. Moreover, the time evolution of the extreme ultraviolet emission synthesized by combining our simulation results with the response function of the Solar Dynamics Observatory Atmospheric Imaging Assembly filters agrees with the observed temporal and spatial intensity shift among multi-wavelength extreme ultraviolet emission during in situ condensation.

  13. Spatially-resolved in-situ structural study of organic electronic devices with nanoscale resolution: the plasmonic photovoltaic case study.

    PubMed

    Paci, B; Bailo, D; Albertini, V Rossi; Wright, J; Ferrero, C; Spyropoulos, G D; Stratakis, E; Kymakis, E

    2013-09-14

    A novel high spatial resolution synchrotron X-ray diffraction stratigraphy technique has been applied in-situ to an integrated plasmonic nanoparticle-based organic photovoltaic device. This original approach allows for the disclosure of structure-property relations linking large scale organic devices to length scales of local nano/hetero structures and interfaces between the different components.

  14. Experimental moments of the nucleon structure function F2

    SciTech Connect

    Mikhail Osipenko; W. Melnitchouk; Silvano Simula; Sergey Kulagin; Giovanni Ricco

    2007-12-01

    Experimental data on the F2 structure functions of the proton and deuteron, including recent results from CLAS at Jefferson Lab, have been used to construct their n<=12 moments. A comprehensive analysis of the moments in terms of the operator product expansion has been performed to separate the moments into leading and higher twist contributions. Particular attention was paid to the issue of nuclear corrections in the deuteron, when extracting the neutron moments from data. The difference between the proton and neutron moments was compared directly with lattice QCD simulations. Combining leading twist moments of the neutron and proton we found the d/u ratio at x->1 approaching 0, although the precision of the data did not allow to exclude the 1/5 value. The higher twist components of the proton and neutron moments suggest that multi-parton correlations are isospin independent.

  15. The Dystrophin Complex: structure, function and implications for therapy

    PubMed Central

    Gao, Quan; McNally, Elizabeth M

    2016-01-01

    The dystrophin complex stabilizes the plasma membrane of striated muscle cells. Loss of function mutations in the genes encoding dystrophin, or the associated proteins, triggers instability of the plasma membrane and myofiber loss. Mutations in dystrophin have been extensively cataloged providing remarkable structure-function correlation between predicted protein structure and clinical outcomes. These data have highlighted dystrophin regions necessary for in vivo function and fueled the design of viral vectors and now, exon skipping approaches for use in dystrophin restoration therapies. However, dystrophin restoration is likely more complex, owing to the role of the dystrophin complex as a broad cytoskeletal integrator. This review will focus on dystrophin restoration, with emphasis on the regions of dystrophin essential for interacting with its associated proteins and discuss the structural implications of these approaches. PMID:26140716

  16. The structural-functional organisation of natural peptides

    NASA Astrophysics Data System (ADS)

    Popov, Evgenii M.

    1994-11-01

    The principles of the structural and structural-functional organisation of the molecules of natural oligopepetides are discussed. The approach to the investigation of the biological activity of peptide hormones directed from structure to function is discussed in general terms and in relation to angiotensin II. It is shown that the polyfunctionality of peptides arises from their ability to exist in a series of conformational states under physiological conditions. A separate function of the peptide is achieved by means of a conformation characteristic of only this function among the conformations most preferred for the free molecule. The method of specific construction of artificial analogues, the steric structure of which corresponds to the set of low-energy physiologically active conformational states of the natural hormone, is examined. The bibliography includes 104 references.

  17. Measuring spin-dependent structure functions at CEBAF

    SciTech Connect

    Schaefer, A.

    1994-04-01

    The author analyses whether CEBAF with a 10 GeV beam could contribute significantly to the understanding of spin-dependent deep-inelastic scattering as well as semi-inclusive reactions. The main advantage of CEBAF is the much better attainable statistics, its great disadvantage its comparably low energy, which limits the accessible x-range to about 0.15 to 0.7. Within these constraints CEBAF could provide (1) high precision data which would be very valuable to understand the Q{sup 2} dependence of the spin-dependent structure functions g{sub 1}(x) and G{sub 2}(x) and (2) the by far most precise determination of the third moments of g{sub 1}(x) and g{sub 2}(x) the latter of which the author argues to be related to a fundamental property of the nucleon.

  18. Anomalous scaling of temperature structure functions in turbulent thermal convection

    NASA Astrophysics Data System (ADS)

    Tong, Penger; He, Xiaozhou; Shang, Xiaodong

    2014-11-01

    The scaling properties of the temperature structure function (SF) are investigated in turbulent Rayleigh-Benard convection. The measured SFs are found to exhibit good scaling in space and time and the resulting SF exponent is obtained both at the center of the convection cell and near the sidewall. It is found that the difference in the functional form of the measured SF exponents at the two locations in the cell is caused by the change of the geometry of the most dissipative structures in the (inhomogeneous) temperature field from being sheet-like at the cell center to filament-like near the sidewall. The experiment thus provides direct evidence showing that the universality features of turbulent cascade are linked to the degree of anisotropy and inhomogeneity of turbulent statistics. This work was supported by the Research Grants Council of Hong Kong SAR.

  19. Parton interpretation of the nucleon spin-dependent structure functions

    SciTech Connect

    Mankiewicz, L. ); Ryzak, Z. )

    1991-02-01

    We discuss the interpretation of the nucleon's polarized structure function {ital g}{sub 2}({ital x}). If the target state is represented by its Fock decomposition on the light cone, the operator-product expansion allows us to demonstrate that moments of {ital g}{sub 2}({ital x}) are related to overlap integrals between wave functions of opposite longitudinal polarizations. In the light-cone formalism such wave functions are related by the kinematical operator {ital scrY}, or light-cone parity. As a consequence, it can be shown that moments of {ital g}{sub 2} give information about the same parton wave function, or probability amplitude to find a certain parton configuration in the target which defines {ital g}{sub 1}({ital x}) or {ital F}{sub 2}({ital x}). Specific formulas are given, and possible applications to the phenomenology of the nucleon structure in QCD are discussed.

  20. Breast Milk Oligosaccharides: Structure-Function Relationships in the Neonate

    PubMed Central

    Smilowitz, Jennifer T.; Lebrilla, Carlito B.; Mills, David A.; German, J. Bruce; Freeman, Samara L.

    2015-01-01

    In addition to providing complete postnatal nutrition, breast milk is a complex biofluid that delivers bioactive components for the growth and development of the intestinal and immune systems. Lactation is a unique opportunity to understand the role of diet in shaping the intestinal environment including the infant microbiome. Of considerable interest is the diversity and abundance of milk glycans that are energetically costly for the mammary gland to produce yet indigestible by infants. Milk glycans comprise free oligosaccharides, glycoproteins, glycopeptides, and glycolipids. Emerging technological advances are enabling more comprehensive, sensitive, and rapid analyses of these different classes of milk glycans. Understanding the impact of inter- and intraindividual glycan diversity on function is an important step toward interventions aimed at improving health and preventing disease. This review discusses the state of technology for glycan analysis and how specific structure-function knowledge is enhancing our understanding of early nutrition in the neonate. PMID:24850388

  1. In Situ Laser Crystallization of Amorphous Silicon for TFT Applications: Controlled Ultrafast Studies in the Dynamic TEM

    SciTech Connect

    Taheri, M; Teslich, N; Lu, J P; Morgan, D; Browning, N

    2008-02-08

    An in situ method for studying the role of laser energy on the microstructural evolution of polycrystalline Si is presented. By monitoring both laser energy and microstructural evolution simultaneously in the dynamic transmission electron microscope, information on grain size and defect concentration can be correlated directly with processing conditions. This proof of principle study provides fundamental scientific information on the crystallization process that has technological importance for the development of thin film transistors. In conclusion, we successfully developed a method for studying UV laser processing of Si films in situ on nanosecond time scales, with ultimate implications for TFT application improvements. In addition to grain size distribution as a function of laser energy density, we found that grain size scaled with laser energy in general. We showed that nanosecond time resolution allowed us to see the nucleation and growth front during processing, which will help further the understanding of microstructural evolution of poly-Si films for electronic applications. Future studies, coupled with high resolution TEM, will be performed to study grain boundary migration, intergranular defects, and grain size distribution with respect to laser energy and adsorption depth.

  2. Structure-function relationships in tendons: a review

    PubMed Central

    Benjamin, M; Kaiser, E; Milz, S

    2008-01-01

    The purpose of the current review is to highlight the structure-function relationship of tendons and related structures to provide an overview for readers whose interest in tendons needs to be underpinned by anatomy. Because of the availability of several recent reviews on tendon development and entheses, the focus of the current work is primarily directed towards what can best be described as the ‘tendon proper’ or the ‘mid-substance’ of tendons. The review covers all levels of tendon structure from the molecular to the gross and deals both with the extracellular matrix and with tendon cells. The latter are often called ‘tenocytes’ and are increasingly recognized as a defined cell population that is functionally and phenotypically distinct from other fibroblast-like cells. This is illustrated by their response to different types of mechanical stress. However, it is not only tendon cells, but tendons as a whole that exhibit distinct structure-function relationships geared to the changing mechanical stresses to which they are subject. This aspect of tendon biology is considered in some detail. Attention is briefly directed to the blood and nerve supply of tendons, for this is an important issue that relates to the intrinsic healing capacity of tendons. Structures closely related to tendons (joint capsules, tendon sheaths, pulleys, retinacula, fat pads and bursae) are also covered and the concept of a ‘supertendon’ is introduced to describe a collection of tendons in which the function of the whole complex exceeds that of its individual members. Finally, attention is drawn to the important relationship between tendons and fascia, highlighted by Wood Jones in his concept of an ‘ectoskeleton’ over half a century ago – work that is often forgotten today. PMID:18304204

  3. Studies of ferroelectric heterostructure thin films, interfaces, and device-related processes via in situ analytical techniques.

    SciTech Connect

    Aggarwal, S.; Auciello, O.; Dhote, A. M.; Gao, Y.; Gruen, D. M.; Im, J.; Irene, E. A.; Krauss, A. R.; Muller, A. H.; Ramesh, R.

    1999-06-29

    The science and technology of ferroelectric thin films has experienced an explosive development during the last ten years. Low-density non-volatile ferroelectric random access memories (NVFRAMS) are now incorporated in commercial products such as ''smart cards'', while high permittivity capacitors are incorporated in cellular phones. However, substantial work is still needed to develop materials integration strategies for high-density memories. We have demonstrated that the implementation of complementary in situ characterization techniques is critical to understand film growth and device processes relevant to device development. We are using uniquely integrated time of flight ion scattering and recoil spectroscopy (TOF-ISARS) and spectroscopic ellipsometry (SE) techniques to perform in situ, real-time studies of film growth processes in the high background gas pressure required to growth ferroelectric thin films. TOF-ISARS provides information on surface processes, while SE permits the investigation of buried interfaces as they are being formed. Recent studies on SrBi{sub 2}Ta{sub 2}O{sub 9} (SBT) and Ba{sub x}Sr{sub 1{minus}x}TiO{sub 3} (BST) film growth and interface processes are discussed. Direct imaging of ferroelectric domains under applied electric fields can provide valuable information to understand domain dynamics in ferroelectric films. We discuss results of piezoresponse scanning force microscopy (SFM) imaging for nanoscale studies of polarization reversal and retention loss in Pb(Zr{sub x}Ti{sub 1{minus}x})O{sub 3} (PZT)-based capacitors. Another powerful technique suitable for in situ, real-time characterization of film growth processes and ferroelectric film-based device operation is based on synchrotrons X-ray scattering, which is currently being implemented at Argonne National Laboratory.

  4. In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

    SciTech Connect

    Lan, Si; Wei, Xiaoya; Wu, Xuelian; Wang, Xun-Li; Zhou, Jie; Lu, Zhaoping; Feygenson, Mikhail; Neuefeind, Jörg

    2014-11-17

    In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr{sub 56}Cu{sub 36}Al{sub 8}, an average glass former, follows continuous nucleation and growth, while that of Zr{sub 46}Cu{sub 46}Al{sub 8}, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

  5. In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

    DOE PAGES

    Lan, Si; Wei, Xiaoya; Zhou, Jie; Lu, Zhaoping; Wu, Xuelian; Feygenson, Mikhail; Neuefeind, Jorg C.; Wang, Xun-Li

    2014-11-18

    In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr56Cu36Al8, an average glass former, follows continuous nucleation and growth, while that of Zr46Cu46Al8, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

  6. In situ spectroscopic study of the plastic deformation of amorphous silicon under nonhydrostatic conditions induced by indentation

    DOE PAGES

    Gerbig, Yvonne B.; Michaels, C. A.; Bradby, Jodie E.; Haberl, Bianca; Cook, Robert F.

    2015-12-17

    Indentation-induced plastic deformation of amorphous silicon (a-Si) thin films was studied by in situ Raman imaging of the deformed contact region of an indented sample, employing a Raman spectroscopy-enhanced instrumented indentation technique (IIT). The occurrence and evolving spatial distribution of changes in the a-Si structure caused by processes, such as polyamorphization and crystallization, induced by indentation loading were observed. Furthermore, the obtained experimental results are linked with previously published work on the plastic deformation of a-Si under hydrostatic compression and shear deformation to establish a model for the deformation behavior of a-Si under indentation loading.

  7. A study to identify and compare airborne systems for in-situ measurements of launch vehicle effluents

    NASA Technical Reports Server (NTRS)

    Thomas, T. J.; Chace, A. S.

    1974-01-01

    An in-situ system for monitoring the concentration of HCl, CO, CO2, and Al2O3 in the cloud of reaction products that form as a result of a launch of solid propellant launch vehicle is studied. A wide array of instrumentation and platforms are reviewed to yield the recommended system. An airborne system suited to monitoring pollution concentrations over urban areas for the purpose of calibrating remote sensors is then selected using a similar methodology to yield the optimal configuration.

  8. In-situ RBS Studies on Dissolution of Pb Atoms from the SiO2 Surface into Water Solutions

    SciTech Connect

    Morita, K.; Yuhara, J.; Ishigami, R.; Tsuchiya, B.; Ishikawa, D.; Soda, K.; Saitoh, K.; Ohnuki, T.; Narumi, K.; Naramoto, H.; Yamamoto, S.; Aoki, Y.

    2003-08-26

    An in-situ RBS system has been developed to study the dissolution of Pb layers deposited physically on the SiO2 surface of Si(100) crystal into water solutions with different pH values. It is found that Pb atoms are not dissolved into alkaline water, but into acid water, and that the dissolution in the latter case is the zero-th order reaction kinetics and the rate constant is 0.67x1013 atoms cm-2s-1, which corresponds to 1.04x10-11 mol. cm-2s-1. The dissolution mechanism is discussed based on the experimental results.

  9. Studies on parametric optimization for abrasive water jet machining of Al7075-TiB2 in-situ composite

    NASA Astrophysics Data System (ADS)

    Kavya, J. T.; Keshavamurthy, R.; Pradeep Kumar, G. S.

    2016-09-01

    The study focuses on optimization and determination of significant process parameter for Abrasive Water Jet Machining of Al7075-TiB2metal matrix composite. Al-TiB2 metal matrix composite is synthesized by stir casting using in-situ technique. Optimization of machining parameters is done using Taguchi's L25orthogonal array for the experimental trials, with cutting speed, stand-off distance and Abrasive Flow rate as input parameters at five different levels. Analysis Of Variance (ANOVA) method is used for identifying the effect of machining parameters on volumetric material removal rate, surface roughness and dimensional accuracy. Then the results are validated by conducting verification experiments.

  10. Transformation from molecular to polymeric nitrogen at high pressures and temperatures: In situ x-ray diffraction study

    SciTech Connect

    Trojan, I.A.; Eremets, M.I.; Medvedev, S.A.; Gavriliuk, A.G.; Prakapenka, V.B.

    2010-09-17

    We studied the mechanism of the structural transformation of molecular nitrogen to atomic single-bonded nitrogen with a cubic gauche (cg-N) crystal structure using x-ray diffraction in situ at a pressure of - 140 GPa and temperatures up to 2000 K in a diamond anvil cell. The anvils, with a toroidal shape, allowed us to drastically increase the volume of the sample, reduce the acquisition time of the diffraction pattern, and improve the quality of the Raman spectra. Molecular nitrogen transforms to the cg-N phase through an intermediate disordered state. The Raman spectra are in good agreement with recent theoretical calculations.

  11. In situ study of atomic layer deposition Al{sub 2}O{sub 3} on GaP (100)

    SciTech Connect

    Dong, H.; Brennan, B.; Qin, X.; Hinkle, C. L.; Kim, J.; Wallace, R. M.; Zhernokletov, D. M.

    2013-09-16

    The interfacial chemistry of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} on chemically treated GaP (100) has been studied using in situ X-ray photoelectron spectroscopy. A “self-cleaning” effect for Ga-oxide upon exposure to trimethylaluminum is seen to be efficient on the native oxide and chemically treated surfaces. The phosphorus oxide chemical states are seen to change during the ALD process, but the total concentration of P-oxides is seen to remain constant throughout the ALD process.

  12. Active phase of a Pd-Cu/ZSM-5 catalyst for benzene hydroxylation: In-situ XAFS studies

    NASA Astrophysics Data System (ADS)

    Cho, Kye-Sung; Lee, Yong-Kul

    2012-07-01

    The gas-phase hydroxylation of benzene by using a mixture of oxygen and hydrogen has been carried out over Cu/ZSM-5 catalysts modified with palladium. In-situ X-ray absorption studies employed in the course of H2-tempereature programmed reduction (H2-TPR) followed by benzene hydroxylation confirmed that the oxidic phase of Cu2+ was transformed to Cu+ during the reaction. The addition of Pd to Cu/ZSM-5 noticeably improved the reducibility of the oxidic Cu phase, which resulted in an increase in the activity of the reaction.

  13. In Situ EXAFS Studies on Ni2P Hydrodesulfurization Catalysts in the Presence of High Pressure and High Temperature Oil

    SciTech Connect

    Kawai, Toshihide; Asakura, Kiyotaka; Bando, Kyoko K.; Lee, Yong-Kul; Oyama, S. Ted.; Chun, Wang-Jae

    2007-02-02

    A Ni2P/SiO2 catalyst that is highly active for hydrodesulfurization (HDS) reaction was studied by in situ extended x-ray absorption fine structure (EXAFS) under the real reaction conditions. The measurements were conducted at realistic conditions of high pressure (3 MPa) and high temperature (613 K) in the presence of model oil. We used a low-volume cell with cubic boron nitride windows. The obtained spectra revealed that the bulk Ni2P structure was stable at reaction conditions and that the active surface had Ni-S bonds under reaction conditions, which played an important role for HDS reactions.

  14. In-situ optical transmission electron microscope study of exciton phonon replicas in ZnO nanowires by cathodoluminescence

    SciTech Connect

    Yang, Shize; Tian, Xuezeng; Wang, Lifen; Wei, Jiake; Qi, Kuo; Li, Xiaomin; Xu, Zhi E-mail: xdbai@iphy.ac.cn Wang, Wenlong; Zhao, Jimin; Bai, Xuedong E-mail: xdbai@iphy.ac.cn; Wang, Enge E-mail: xdbai@iphy.ac.cn

    2014-08-18

    The cathodoluminescence spectrum of single zinc oxide (ZnO) nanowires is measured by in-situ optical Transmission Electron Microscope. The coupling between exciton and longitudinal optical phonon is studied. The band edge emission varies for different excitation spots. This effect is attributed to the exciton propagation along the c axis of the nanowire. Contrary to free exciton emission, the phonon replicas are well confined in ZnO nanowire. They travel along the c axis and emit at the end surface. Bending strain increases the relative intensity of second order phonon replicas when excitons travel along the c-axis.

  15. In situ treatment of arsenic contaminated groundwater by aquifer iron coating: Experimental Study

    SciTech Connect

    Xie, Xianjun; Wang, Yanxin; Pi, Kunfu; Liu, Chongxuan; Li, Junxia; Liu, Yaqing; Wang, Zhiqiang; Duan, Mengyu

    2015-09-15

    In situ arsenic removal from groundwater by an iron coating method has great potential to be a cost effective and simple groundwater remediation technique, especially in rural and remote areas where groundwater is used as the main source of drinking water. The in situ arsenic removal technique was first optimized by simulating arsenic removal in various quartz sand columns under anoxic conditions., Its effectiveness was then evaluated in an actual high-arsenic groundwater environment. The mechanism of arsenic removal by the iron coating was investigated under different conditions using scanning electron microscopy (SEM)/X-ray absorption spectroscopy, an electron microprobe, and Fourier transformation infrared spectroscopy. A 4-step alternative cycle aquifer iron coating method was developed. A continuous injection of 5 mmol/L FeSO4 and 2.5 mmol/L NaClO for 96 hours can create a uniform coating of crystalline goethite on the surface of quartz sand in the columns without causing clogging. At a flow rate of 0.45 cm/min of the injection reagents (vi), the time for arsenic (as Na2HAsO4) to pass through the iron-coated quartz sand column was approximately 35 hours, which was much longer than that for tracer fluorescein sodium (approximately 2 hours). The retardation factor of arsenic was 23, and its adsorption capacity was 0.11 mol As per mol Fe, leading to an excellent arsenic removal. In situ arsenic removal from groundwater in an aquifer was achieved by simultaneous injections of As (V) and Fe (II) reagents. When the arsenic content in the groundwater was 233 μg/L, the aqueous phase arsenic was completely removed with an arsenic adsorption of 0.05 mol As per mol Fe. Arsenic fixation resulted from a process of adsorption/co-precipitation, in which arsenic and iron likely formed the arsenic-bearing iron mineral phases with poor crystallinity by way of bidentate binuclear complexes. Thus, the high arsenic removal efficiency of the technique likely resulted from the

  16. Beamline electrostatic levitator for in situ high energy x-ray diffraction studies of levitated solids and liquids

    SciTech Connect

    Gangopadhyay, A.K.; Lee, G.W.; Kelto, K.F.; Rogers, J.R.; Goldman, A.I.; Robinson, D.S.; Rathz, T.J.; Hyers, R.W.

    2010-07-19

    Determinations of the phase formation sequence, crystal structures and the thermo-physical properties of materials at high temperatures are hampered by contamination from the sample container and environment. Containerless processing techniques, such as electrostatic (ESL), electromagnetic, aerodynamic, and acoustic levitation, are most suitable for these studies. An adaptation of ESL for in situ structural studies of a wide range of materials using high energy (30-130 keV) x rays at a synchrotron source is described here. This beamline ESL (BESL) allows the in situ determination of the atomic structures of equilibrium solid and liquid phases, undercooled liquids and time-resolved studies of solid-solid and liquid-solid phase transformations. The use of area detectors enables the rapid acquisition of complete diffraction patterns over a wide range (0.5-14 {angstrom}{sup -1}) of reciprocal space. The wide temperature range (300-2500 K), containerless processing environment under high vacuum (10{sup -7}-10{sup -8} Torr), and fast data acquisition capability, make BESL particularly well suited for phase stability studies of high temperature solids and liquids. An additional, but important, feature of BESL is the capability for simultaneous measurements of a host of thermo-physical properties including the specific heat, enthalpy of transformation, solidus and liquidus temperatures, density, viscosity, and surface tension, all on the same sample during the structural measurements.

  17. In situ study of the initiation of hydrogen bubbles at the aluminium metal/oxide interface.

    PubMed

    Xie, De-Gang; Wang, Zhang-Jie; Sun, Jun; Li, Ju; Ma, Evan; Shan, Zhi-Wei

    2015-09-01

    The presence of excess hydrogen at the interface between a metal substrate and a protective oxide can cause blistering and spallation of the scale. However, it remains unclear how nanoscale bubbles manage to reach the critical size in the first place. Here, we perform in situ environmental transmission electron microscopy experiments of the aluminium metal/oxide interface under hydrogen exposure. It is found that once the interface is weakened by hydrogen segregation, surface diffusion of Al atoms initiates the formation of faceted cavities on the metal side, driven by Wulff reconstruction. The morphology and growth rate of these cavities are highly sensitive to the crystallographic orientation of the aluminium substrate. Once the cavities grow to a critical size, the internal gas pressure can become great enough to blister the oxide layer. Our findings have implications for understanding hydrogen damage of interfaces.

  18. Study of tempering behavior of lath martensite using in situ neutron diffraction

    SciTech Connect

    Shi, Z.M.; Gong, W.; Tomota, Y.; Harjo, S.; Li, J.; Chi, B.; Pu, J.

    2015-09-15

    To elucidate changes in the density and substructure of dislocations during tempering of lath martensite steel, a convolutional multiple whole-profile fitting method was applied to in situ neutron diffraction profiles. With increasing tempering temperature, the dislocation density scarcely changed in the beginning and then decreased at temperatures above 473 K, whereas the dislocation arrangement drastically changed at temperatures above 673 K. The strength of the steel is speculated to depend on the density and arrangement of dislocations. - Highlights: • A convolutional multiple whole-profile fitting method was applied. • Dislocation density and dislocation arrangement changing with tempering were discussed. • Dislocation density scarcely changed in the beginning. • And then dislocation density decreased at temperatures above 473 K. • The dislocation arrangement drastically changed at temperatures above 673 K.

  19. In situ nanoindentation study of plastic Co-deformation in Al-TiN nanocomposites

    DOE PAGES

    Li, N.; Wang, H.; Misra, A.; Wang, J.

    2014-10-16

    We performed in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm, 5 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with easy initiation of cracks in the TiN layers. At 5 nm and below, cracking in TiN was suppressed and post mortem measurements indicated a reduction in layer thickness in both layers. Our results demonstrate the profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers.

  20. In Situ Real-Time Radiographic Study of Thin Film Formation Inside Rotating Hollow Spheres

    DOE PAGES

    Braun, Tom; Walton, Christopher C.; Dawedeit, Christoph; Biener, Monika M.; Kim, Sung Ho; Willey, Trevor M.; Xiao, Xianghui; van Buuren, Anthony; Hamza, Alex V.; Biener, Juergen

    2016-02-03

    The hollow spheres with uniform coatings on the inner surface have applications in optical devices, time- or site-controlled drug release, heat storage devices, and target fabrication for inertial confinement fusion experiments. The fabrication of uniform coatings, which is often critical for the application performance, requires precise understanding and control over the coating process and its parameters. We report on in situ real-time radiography experiments that provide critical spatiotemporal information about the distribution of fluids inside hollow spheres during uniaxial rotation. Furthermore, image analysis and computer fluid dynamics simulations were used to explore the effect of liquid viscosity and rotational velocitymore » on the film uniformity. The data were then used to demonstrate the fabrication of uniform sol–gel chemistry derived porous polymer films inside 2 mm inner diameter diamond shells.« less

  1. In-situ fiber-optic Raman study of emulsion polymerization

    SciTech Connect

    Al-Khanbashi, A.S.; Hansen, M.G.; Wachter, E.A.

    1996-12-31

    Emulsion polymerization is a major commercial process for the production of various polymers. The unique nature of the reaction offers the possibility of producing products with special properties not easily made by other types of polymerization process. The reaction is heterogeneous, with the reactants and products dispersed as a separate phase in the main aqueous medium. Since water is a weak Raman scatterer and does not interfere with the analytical peak of the reactant, Raman scattering should be an effective method for in-line monitoring of the reaction progress. Recent advances in fiber-optic Raman have attracted great attention in developing methods for monitoring chemical processes in remote and hostile environments. This work describes in-situ monitoring of the emulsion polymerization of vinyl acetate using remote Raman spectroscopy.

  2. In situ Nanoindentation Study of Plastic Co-deformation in Al-TiN Nanocomposites

    PubMed Central

    Li, N.; Wang, H.; Misra, A.; Wang, J.

    2014-01-01

    We performed in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm, 5 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with easy initiation of cracks in the TiN layers. At 5 nm and below, cracking in TiN was suppressed and post mortem measurements indicated a reduction in layer thickness in both layers. The results demonstrate the profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers. PMID:25319014

  3. In situ study of defect migration kinetics in nanoporous Ag with enhanced radiation tolerance

    PubMed Central

    Sun, C.; Bufford, D.; Chen, Y.; Kirk, M. A.; Wang, Y. Q.; Li, M.; Wang, H.; Maloy, S. A.; Zhang, X.

    2014-01-01

    Defect sinks, such as grain boundaries and phase boundaries, have been widely accepted to improve the irradiation resistance of metallic materials. However, free surface, an ideal defect sink, has received little attention in bulk materials as surface-to-volume ratio is typically low. Here by using in situ Kr ion irradiation technique in a transmission electron microscope, we show that nanoporous (NP) Ag has enhanced radiation tolerance. Besides direct evidence of free surface induced frequent removal of various types of defect clusters, we determined, for the first time, the global and instantaneous diffusivity of defect clusters in both coarse-grained (CG) and NP Ag. Opposite to conventional wisdom, both types of diffusivities are lower in NP Ag. Such a surprise is largely related to the reduced interaction energy between isolated defect clusters in NP Ag. Determination of kinetics of defect clusters is essential to understand and model their migration and clustering in irradiated materials. PMID:24435181

  4. In situ study of the initiation of hydrogen bubbles at the aluminium metal/oxide interface

    NASA Astrophysics Data System (ADS)

    Xie, De-Gang; Wang, Zhang-Jie; Sun, Jun; Li, Ju; Ma, Evan; Shan, Zhi-Wei

    2015-09-01

    The presence of excess hydrogen at the interface between a metal substrate and a protective oxide can cause blistering and spallation of the scale. However, it remains unclear how nanoscale bubbles manage to reach the critical size in the first place. Here, we perform in situ environmental transmission electron microscopy experiments of the aluminium metal/oxide interface under hydrogen exposure. It is found that once the interface is weakened by hydrogen segregation, surface diffusion of Al atoms initiates the formation of faceted cavities on the metal side, driven by Wulff reconstruction. The morphology and growth rate of these cavities are highly sensitive to the crystallographic orientation of the aluminium substrate. Once the cavities grow to a critical size, the internal gas pressure can become great enough to blister the oxide layer. Our findings have implications for understanding hydrogen damage of interfaces.

  5. In Situ Real-Time Radiographic Study of Thin Film Formation Inside Rotating Hollow Spheres.

    PubMed

    Braun, Tom; Walton, Christopher C; Dawedeit, Christoph; Biener, Monika M; Kim, Sung Ho; Willey, Trevor M; Xiao, Xianghui; van Buuren, Anthony; Hamza, Alex V; Biener, Juergen

    2016-02-01

    Hollow spheres with uniform coatings on the inner surface have applications in optical devices, time- or site-controlled drug release, heat storage devices, and target fabrication for inertial confinement fusion experiments. The fabrication of uniform coatings, which is often critical for the application performance, requires precise understanding and control over the coating process and its parameters. Here, we report on in situ real-time radiography experiments that provide critical spatiotemporal information about the distribution of fluids inside hollow spheres during uniaxial rotation. Image analysis and computer fluid dynamics simulations were used to explore the effect of liquid viscosity and rotational velocity on the film uniformity. The data were then used to demonstrate the fabrication of uniform sol-gel chemistry derived porous polymer films inside 2 mm inner diameter diamond shells. PMID:26717408

  6. Ecological correlates of ex situ seed longevity: a comparative study on 195 species

    PubMed Central

    Probert, Robin J.; Daws, Matthew I.; Hay, Fiona R.

    2009-01-01

    Background and Aims Extended seed longevity in the dry state is the basis for the ex situ conservation of ‘orthodox’ seeds. However, even under identical storage conditions there is wide variation in seed life-span between species. Here, the effects of seed traits and environmental conditions at the site of collection on seed longevity is explored for195 wild species from 71 families from environments ranging from cold deserts to tropical forests. Methods Seeds were rapidly aged at elevated temperature and relative humidity (either 45°C and 60% RH or 60°C and 60% RH) and regularly sampled for germination. The time taken in storage for viability to fall to 50% (p50) was determined using Probit analysis and used as a measure of relative seed longevity between species. Key Results Across species, p50 at 45°C and 60% RH varied from 0·1 d to 771 d. Endospermic seeds were, in general, shorter lived than non-endospermic seeds and seeds from hot, dry environments were longer lived than those from cool, wet conditions. These relationships remained significant when controlling for the effects of phylogenetic relatedness using phylogenetically independent contrasts. Seed mass and oil content were not correlated with p50. Conclusions The data suggest that the endospermic seeds of early angiosperms which evolved in forest understorey habitats are short-lived. Extended longevity presumably evolved as a response to climatic change or the invasion of drier areas. The apparent short-lived nature of endospermic seeds from cool wet environments may have implications for re-collection and re-testing strategies in ex situ conservation. PMID:19359301

  7. An apparatus for in situ x-ray scattering studies of polymer melts during homogenous uniaxial extensional flow

    NASA Astrophysics Data System (ADS)

    Burghardt, Wesley; Mao, Ruinan

    2011-03-01

    In situ x-ray scattering methods have been broadly applied to study the structural dynamics of polymers and other complex fluids under flow, and can provide deep insights into the microstructural origins of complex non-Newtonian flow characteristics. Most studies in this vein have employed either homogenous shear flow, or processing flows such as fiber spinning which are complicated by inhomogenous deformation histories and/or nonisothermal operation. Here we present the design and implementation of a new apparatus for in situ x-ray scattering studies of polymer melts during homogenous uniaxial extensional flow. The experiment is based on the commercially-available SER extensional flow fixture, which employs two counter- rotating drums to deform a sample strip of polymer melt. This fixture has been incorporated into a custom-fabricated convection oven designed to facilitate x-ray access to the sample, and operation in a typical synchrotron beam line environment. Preliminary data on extensional flow induced orientation of ordered block copolymers will be used to illustrate the capabilities of this device.

  8. In situ neutron scattering study of nanoscale phase evolution in PbTe-PbS thermoelectric material

    DOE PAGES

    Ren, Fei; Schmidt, Robert; Keum, Jong K.; Qian, Bosen; Case, Eldon D.; Littrell, Ken C.; An, Ke

    2016-08-24

    Introducing nanostructural second phases has been proved to be an effective approach to reduce the lattice thermal conductivity and thus enhance the figure of merit for many thermoelectric materials. Furthermore studies of the formation and evolution of these second phases are central to understanding temperature dependent material behavior, improving thermal stabilities, as well as designing new materials. We examined powder samples of PbTe-PbS thermoelectric material using in situ neutron diffraction and small angle neutron scattering (SANS) techniques from room temperature to elevated temperature up to 663 K, to explore quantitative information on the structure, weight fraction, and size of themore » second phase. Neutron diffraction data showed the as-milled powder was primarily solid solution before heat treatment. During heating, PbS second phase precipitated out of the PbTe matrix around 480 K, while re-dissolution started around 570 K. The second phase remained separated from the matrix upon cooling. Furthermore, SANS data indicated there are two populations of nanostructures. The size of the smaller nanostructure increased from initially 5 nm to approximately 25 nm after annealing at 650 K, while the size of the larger nanostructure remained unchanged. Our study demonstrated that in situ neutron techniques are effective means to obtain quantitative information to study temperature dependent nanostructural behavior of thermoelectrics and likely other high-temperature materials.« less

  9. Structure sensitive in situ Raman study of iron passive films using SERS-active Fe/Au(111) substrates

    NASA Astrophysics Data System (ADS)

    Allongue, P.; Joiret, S.

    2005-03-01

    This work describes the preparation of well-defined Fe/Au(111) /mica substrates for in situ Raman studies of the iron passive film with surface-enhanced Raman scattering (SERS). It is a two-step technique in which a SERS active (111) epitaxial gold substrate is prepared by resistive evaporation on mica. An epitaxial Fe(110) film is then electrodeposited to serve as iron electrode. It is shown that the SERS enhancement factor depends primarily on the good matching between the gold film plasmon resonance wavelength λP and the excitation wavelength. The iron thickness is the second main parameter controlling the SERS enhancement factor with a maximum found for a thickness of 20 monolayers. Under optimized conditions an amplification factor of 5×104 is demonstrated with respect to the case of a bulk polycrystalline iron substrate. This technique allows the recording of Raman spectra of nm-thick passive films within a few seconds only, which opens up to nearly real-time bias-dependent investigations of the chemistry at the electrochemical interface. In addition, taking advantage of the well-defined structure of the Fe(110)/Au(111)/ mica substrates, we present a preliminary structure-sensitive in situ Raman study of the iron passive film formed in a borate solution of pH8.4 . It is thought that this simple approach of promoting SERS should find more general interest for the electrochemistry community.

  10. Column study of Cr(VI) removal by cationic hydrogel for in-situ remediation of contaminated groundwater and soil.

    PubMed

    Tang, Samuel C N; Yin, Ke; Lo, Irene M C

    2011-07-01

    Column experiments were conducted for examining the effectiveness of the cationic hydrogel on Cr(VI) removal from groundwater and soil. For in-situ groundwater remediation, the effects of background anions, humic acid (HA) and pH were studied. Cr(VI) has a higher preference for being adsorbed onto the cationic hydrogel than sulphate, bicarbonate ions and HA. However, the adsorbed HA reduced the Cr(VI) removal capacity of the cationic hydrogel, especially after regeneration of the adsorbents, probably due to the blockage of adsorption sites. The Cr(VI) removal was slightly influenced by the groundwater pH that could be attributed to Cr(VI) speciation. The 6-cycle regeneration and reusability study shows that the effectiveness of the cationic hydrogel remained almost unchanged. On average, 93% of the adsorbed Cr(VI) was recovered in each cycle and concentrated Cr(VI) solution was obtained after regeneration. For in-situ soil remediation, the flushing water pH had an insignificant effect on the release of Cr(VI) from the soils. Multiple-pulse flushing increased the removal of Cr(VI) from the soils. In contrast, more flushing water and longer operation may be required to achieve the same removal level by continuous flushing.

  11. Hippo/crates-in-situ deformation strain and testure studies using neutron time-of-flight diffraction.

    SciTech Connect

    Vogel, S. C.; Hartig, C.; Brissier, T. D.; Mecking, H.

    2005-01-01

    In situ deformation studies by diffraction allow studying of deformation mechanisms and provide valuable data to validate and improve deformation models. In particular, deformation studies using time-of-flight neutrons provide averages over large numbers of grains and allow to probing the response of lattice planes parallel and perpendicular to the applied load simultaneously. In this paper we describe the load-frame CRATES, designed for the HIPPO neutron time-of-flight diffractometer at LANSCE. The HIPPO/CRATES combination allows probing up to 20 diffraction vectors simultaneously and provides rotation of the sample in the beam while under load. With this, deformation texture, i.e. the change of grain orientation due to plastic deformation, or strain pole figures may be measured. We report initial results of a validation experiment, comparing deformation of a Zircaloy specimen measured using the NPD neutron diffractometer with results obtained for the same material using HIPPO/CRATES.

  12. Design of in situ sample rotation mechanism for angle-dependent study of cantilever-detected high-frequency ESR.

    PubMed

    Ohmichi, E; Hirano, S; Ohta, H

    2013-02-01

    Cantilever detected electron spin resonance (ESR) technique is combined with a precise rotation stage for angle-dependent ESR study of a tiny single crystalline sample on the order of 1 μg. Generally speaking, sample rotation in transmission-type ESR measurement is quite difficult. However, high angle resolution Δθ(min)∼0.2° and compact design of our stage allow in situ sample rotation in strong magnetic fields at low temperatures. As a result, a systematic study of ESR spectra for different field orientations can be easily obtained without sample extraction from a cryostat. As an example, angle-dependent ESR study of Co Tutton salt in the millimeter wave region is demonstrated at liquid helium temperature.

  13. Sequence, structure, function, immunity: structural genomics of costimulation

    PubMed Central

    Chattopadhyay, Kausik; Lazar-Molnar, Eszter; Yan, Qingrong; Rubinstein, Rotem; Zhan, Chenyang; Vigdorovich, Vladimir; Ramagopal, Udupi A.; Bonanno, Jeffrey; Nathenson, Stanley G.; Almo, Steven C.

    2010-01-01

    Summary Costimulatory receptors and ligands trigger the signaling pathways that are responsible for modulating the strength, course and duration of an immune response. High-resolution structures have provided invaluable mechanistic insights by defining the chemical and physical features underlying costimulatory receptor/ligand specificity, affinity, oligomeric state, and valency. Furthermore, these structures revealed general architectural features that are important for the integration of these interactions and their associated signaling pathways into overall cellular physiology. Recent technological advances in structural biology promise unprecedented opportunities for furthering our understanding of the structural features and mechanisms that govern costimulation. In this review we highlight unique insights that have been revealed by structures of costimulatory molecules from the immunoglobulin and tumor necrosis factor superfamilies, and describe a vision for future structural and mechanistic analysis of costimulation. This vision includes simple strategies for the selection of candidate molecules for structure determination and highlights the critical role of structure in the design of mutant costimulatory molecules for the generation of in vivo structure-function correlations in a mammalian model system. This integrated ‘atoms-to-animals’ paradigm provides a comprehensive approach for defining atomic and molecular mechanisms. PMID:19426233

  14. Structure-function analysis of the trypanosomatid spliced leader RNA.

    PubMed Central

    Goncharov, I; Xu, Y X; Zimmer, Y; Sherman, K; Michaeli, S

    1998-01-01

    In trypanosomes, all mRNAs possess a spliced leader (SL) at their 5' end. SL is added to pre-mRNA via trans -splicing from a small RNA, the SL RNA. To examine structure-function aspects of the trypanosomatid SL RNA, an in vivo system was developed in the monogenetic trypanosomatid Leptomonas collosoma to analyze the function of chimeric and site-directed SL RNA mutants in trans -splicing. Stable cell lines expressing chimeric and mutated SL RNA from the authentic SL RNA regulatory unit were obtained. The chimeric RNA was expressed and assembled into an SL RNP particle, but could not serve as a substrate in splicing. Mutations in loop II and III of L.collosoma SL RNA formed the Y structure intermediate. In addition, a double SL RNA mutant in loop II, and positions 7 and 8 of the intron, also formed the Y structure intermediate, suggesting that these intron positions, although proposed to participate in the interaction of SL RNA with U5, may not be crucial for the first step of the trans -splicing reaction. A mutation in the exon located in loop I was not utilized in splicing, suggesting the importance of exon sequences for trans -splicing in trypanosomes. However, a double SL RNA mutant in loop II and exon position 31 was utilized in both steps of splicing; the mutant thus provides a model molecule for further analysis of positions essential for the function of the SL RNA. PMID:9547281

  15. Vesicular Monoamine Transporters: Structure-Function, Pharmacology, and Medicinal Chemistry

    PubMed Central

    Wimalasena, Kandatege

    2010-01-01

    Vesicular monoamine transporters (VMAT) are responsible for the uptake of cytosolic monoamines into synaptic vesicles in monoaminergic neurons. Two closely related VMATs with distinct pharmacological properties and tissue distributions have been characterized. VMAT1 is preferentially expressed in neuroendocrine cells and VMAT2 is primarily expressed in the CNS. The neurotoxicity and addictive properties of various psychostimulants have been attributed, at least partly, to their interference with VMAT2 functions. The quantitative assessment of the VMAT2 density by PET scanning has been clinically useful for early diagnosis and monitoring of the progression of Parkinson’s and Alzheimer’s diseases and drug addiction. The classical VMAT2 inhibitor tetrabenazine has long been used for the treatment of chorea associated with Huntington’s disease in UK, Canada and Australia and recently approved in the US. The VMAT2 imaging may also be useful for exploiting the onset of diabetes mellitus, since VMAT2 is also expressed in the β-cells of the pancreas. VMAT1 gene SLC18A1 is a locus with strong evidence of linkage with schizophrenia and thus, the polymorphic forms of the VMAT1 gene may confer susceptibility to schizophrenia. This review summarizes the current understanding of the structure-function relationships of VMAT2, and the role of VMAT2 on addiction and psychostimulant induced neurotoxicity, and the therapeutic and diagnostic applications of specific VMAT2 ligands. The evidence for the linkage of VMAT1 gene with schizophrenia and bipolar disorder I are also discussed. PMID:20135628

  16. Terasaki Ramps in the Endoplasmic Reticulum: Structure, Function and Formation

    NASA Astrophysics Data System (ADS)

    Huber, Greg; Guven, Jemal; Valencia, Dulce-Maria

    2015-03-01

    The endoplasmic reticulum (ER) has long been considered an exceedingly important and complex cellular organelle in eukaryotes (like you). It is a membrane structure, part folded lamellae, part tubular network, that both envelopes the nucleus and threads its way outward, all the way to the cell's periphery. Despite the elegant mechanics of bilayer membranes offered by the work of Helfrich and Canham, as far as the ER is concerned, theory has mostly sat on the sidelines. However, refined imaging of the ER has recently revealed beautiful and subtle geometrical forms - simple geometries, from the mathematical point of view - which some have called a ``parking garage for ribosomes.'' I'll review the discovery and physics of Terasaki ramps and discuss their relation to cell-biological questions, such as ER and nuclear-membrane re-organization during mitosis. Rather than being a footnote in a textbook on differential geometry, these structures suggest answers to a number of the ER's structure-function problems.

  17. Gene3D: modelling protein structure, function and evolution.

    PubMed

    Yeats, Corin; Maibaum, Michael; Marsden, Russell; Dibley, Mark; Lee, David; Addou, Sarah; Orengo, Christine A

    2006-01-01

    The Gene3D release 4 database and web portal (http://cathwww.biochem.ucl.ac.uk:8080/Gene3D) provide a combined structural, functional and evolutionary view of the protein world. It is focussed on providing structural annotation for protein sequences without structural representatives--including the complete proteome sets of over 240 different species. The protein sequences have also been clustered into whole-chain families so as to aid functional prediction. The structural annotation is generated using HMM models based on the CATH domain families; CATH is a repository for manually deduced protein domains. Amongst the changes from the last publication are: the addition of over 100 genomes and the UniProt sequence database, domain data from Pfam, metabolic pathway and functional data from COGs, KEGG and GO, and protein-protein interaction data from MINT and BIND. The website has been rebuilt to allow more sophisticated querying and the data returned is presented in a clearer format with greater functionality. Furthermore, all data can be downloaded in a simple XML format, allowing users to carry out complex investigations at their own computers.

  18. A noval in situ study of adsorption processes at Au(111) electrodes by second harmonic generation

    NASA Astrophysics Data System (ADS)

    Pettinger, B.; Lipkowski, J.; Mirwald, S.; Friedrich, A.

    1992-05-01

    Second harmonic generation (SHG) is an in situ spectroscopic tool par excellence for an electrode surface. Since the SHG response is determined by the nonlinear susceptibility tensor of third rank, χ(2), an understanding of the quite complex and different SHG-anisotropy patterns requires the evaluation of the important χijk tensor elements and their distinct dependences on both electrode potential and adsorption of ions or neutral molecules. The Fourier analysis of the azimuthal SHG data reveals that the observed SHG potential dependences arise mainly from two distinct sources: (i) The surface reconstruction, here denoted as Au(111)-(1 × 23) ↔ Au(111)-(1 × 1); it is controlled by potential and ad/desorption of ions or molecules and leads, via the SHG anisotropy, to an observable change in surface symmetry such as C3v ↔ Cs. (ii) The change of charge density of the electrode surface which is caused by potential shifts and/or adsorption processes; it alters mainly the ax term, e.g. the perpendicular part of the nonlinear polarizability of the metal surface.

  19. In-situ NAP XPS studies of dissociative water adsorption on GaAs(100) surfaces

    NASA Astrophysics Data System (ADS)

    Ptasinska, Sylwia; Zhang, Xueqiang

    2014-03-01

    In current semiconductor-based technology it is important to design and fabricate new materials in order to achieve specific well-defined properties and functionalities. Before such systems can be applied they first need to be understood, refined and controlled. Therefore, a basic knowledge about molecule/semiconductor surface interfaces is essential. In the present work dissociative water adsorption on the GaAs(100) surface is monitored using X-ray Photoelectron Spectroscopy (XPS) performed in situ under near ambient conditions. Firstly, the crystal surface is exposed to water vapor pressures ranging from UHV to 0.5 kPa. At elevated pressures an increase of oxygenation and hydroxylation of Ga surface atoms has been observed in the Ga2p XPS spectra. Moreover, intense signals obtained from molecularly adsorbed water molecules or water molecules adsorbed via hydrogen bond to surface OH groups have been also observed in the O1s spectra. Finally, the crystal surface is annealed up to 700 K at water vapor pressure of 0.01 kPa, which leads to desorption of physisorbed water molecules and further increase of surface oxidation. The research described herein was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Basic Energy Sciences, Office of Science, United States Department of Energy through grant number DE-FC02-04ER15533.

  20. Fluorescence in situ hybridization to improve the diagnosis of endocarditis: a pilot study.

    PubMed

    Mallmann, C; Siemoneit, S; Schmiedel, D; Petrich, A; Gescher, D M; Halle, E; Musci, M; Hetzer, R; Göbel, U B; Moter, A

    2010-06-01

    Infective endocarditis is a rare but life-threatening disease associated with high mortality. Early diagnosis of the causative microorganism is critical to patient outcome. However, conventional diagnostic methods are often unsatisfactory in achieving this goal. As a proof of concept, we applied fluorescence in situ hybridization (FISH) for detection and identification of bacteria in histological sections of heart valves. Biopsy specimens from 54 suspected endocarditis patients were obtained during valve surgery and analysed via FISH. Specimens were screened with a probe panel that identifies the most common bacteria implicated in endocarditis. Results were compared with those of culture-based diagnostics and clinical data. Discrepant results were subjected to comparative sequence analysis of PCR-amplified 16S rRNA genes. FISH detected bacteria in 26 of the 54 heart valves. FISH allowed successful diagnosis of infective endocarditis in five of 13 blood culture-negative cases and in 11 of 37 valve culture-negative cases, showing the bacteria within their histological context. This technique allows the simultaneous detection and identification of microorganisms at the species or genus level directly from heart valves and might be a valuable tool for diagnosis of endocarditis.

  1. FORMATION OF CHROMATE CONVERSION COATINGS ON ALUMINUM AND ITS ALLOYS: AN IN SITU XANES STUDY.

    SciTech Connect

    SASAKI,K.; ISAACS,H.S.; JAFFCOATE,C.S.; BUCHHAIT,R.; LEGAT,V.; LEE,H.; SRINIVASAMURTHI,V.

    2001-09-02

    We used in situ X-ray adsorption near-edge structure (XANES) to investigate the formation of chromate conversion coatings on pure Al, commercial Al alloys (AA 1100, AA2024, and AA7075), and a series of binary Al-Cu alloys. The method employed a new electrochemical cell that can determine the ratio of hexavalent chromium (Cr(VI)) to total chromium (Cr(total)) speciation in conversion coatings as a function of exposure time to a chromate solution. The spectra showed that the initial Cr(VI)/Cr(total) ratios are greater than later ones for pure Al and AA1100, but not for AA2024 and AA7075. Measurements with Al-Cu alloys demonstrated that the difference observed in AA2024 and AA7075 may not be due to Cu alloying. The proportion of Cr(VI) in the coatings becomes approximately constant after 180 s of exposure for all the specimens examined even though the coatings continue to grow.

  2. In-situ electron paramagnetic resonance studies of paramagnetic point defects in superconducting microwave resonators

    NASA Astrophysics Data System (ADS)

    Zhang, Shengke; Kopas, Cameron; Wagner, Brian; Queen, Daniel; Newman, N.

    2016-09-01

    The physical nature and concentration of paramagnetic point defects in the dielectrics of superconducting planar microwave resonators have been determined using in-situ electron paramagnetic resonance spectroscopy. To perform this work, the quality factor of parallel plate and stripline resonators was measured as a function of the magnitude of a magnetic-field applied parallel to the electrode surfaces. YBa2Cu3O7-δ thin film electrodes proved to be a preferred choice over Nb and MgB2 because they are readily available and have a small surface resistance (Rs) up to high temperatures (˜77 K) and magnetic fields (i.e., <1 T). Stripline resonators with a widely used high performance microwave dielectric, Co2+-doped Ba(Zn1/3Nb2/3)O3, are shown to have losses dominated by d-electron spin-excitations in exchange-coupled Co2+ point-defect clusters, even in the absence of an applied magnetic field. A significant enhanced microwave loss in stripline and parallel plate resonators is found to correlate with the presence of paramagnetic Mn2+ dopants in Ba(Zn1/3Ta2/3)O3 ceramics and dangling bond states in amorphous Si thin films, although the identification of the dominant loss mechanism(s) in these dielectrics requires further investigation.

  3. Ectopic adrenal tissue in the thorax: a case report with in situ hybridization and immunohistochemical studies.

    PubMed

    Shigematsu, Kazuto; Toriyama, Kan; Kawai, Kioko; Takahara, Osamu

    2007-01-01

    Ectopic or accessory adrenal tissues are usually found in the upper abdomen or along the path of descent of the gonads. The occurrence of supradiaphragmatic adrenal tissue is extremely rare. We report a case of ectopic adrenal tissue composed of both cortical and medullary cells in a 99-year-old woman. The lesion was found incidentally in the paratracheal region at autopsy. We performed in situ hybridization and immunohistochemistry to confirm that the ectopic adrenal tissue possessed the same steroidogenesis as a normal adrenal gland. The ectopic adrenal tissue was encapsulated by fibrous tissue and composed of cells expressing all steroidogenic enzyme mRNAs. The centrally located cells showed immunoreactivities for tyrosine hydroxylase (TH), dopamine beta hydroxylase (DBH), and phenylethanolamine-N-methyltransferase (PNMT). Expression of ACTH receptor (ACTHR) was also evident. These findings indicated that this ectopic adrenal tissue had the capability for steroid and catecholamine biosynthesis under the control of ACTH, and that it might function adequately even under a condition of bilateral adrenal insufficiency.

  4. In Situ Infrared Spectroscopic Study of Forsterite Carbonation in Wet Supercritical CO2

    SciTech Connect

    Loring, John S.; Thompson, Christopher J.; Wang, Zheming; Joly, Alan G.; Sklarew, Deborah S.; Schaef, Herbert T.; Ilton, Eugene S.; Rosso, Kevin M.; Felmy, Andrew R.

    2011-07-19

    Carbonation reactions are central to the prospect of CO2 trapping by mineralization in geologic reservoirs. In contrast to the relevant aqueous-mediated reactions, little is known about the propensity for carbonation in the long-term partner fluid: water-containing supercritical carbon dioxide (‘wet’ scCO2). We employed in situ mid-infrared spectroscopy to follow the reaction of a model silicate mineral (forsterite, Mg2SiO4) for 24 hr with wet scCO2 at 50°C and 180 atm, using water concentrations corresponding to 0%, 55%, 95%, and 136% saturation. Results show a dramatic dependence of reactivity on water concentration and the presence of liquid water on the forsterite particles. Exposure to neat scCO2 showed no detectable carbonation reaction. At 55% and 95% water saturation, a liquid-like thin water film was detected on the forsterite particles; less than 1% of the forsterite transformed, mostly within the first 3 hours of exposure to the fluid. At 136% saturation, where an (excess) liquid water film approximately several nanometers thick was intentionally condensed on the forsterite, the carbonation reaction proceeded continuously for 24 hr with 10% to 15% transformation. Our collective results suggest constitutive links between water concentration, water film formation, reaction rate and extent, and reaction products in wet scCO2.

  5. IN SITU MAGIC ANGLE SPINNING NMR FOR STUDYING GEOLOGICAL CO(2) SEQUESTRATION

    SciTech Connect

    Hoyt, David W.; Turcu, Romulus VF; Sears, Jesse A.; Rosso, Kevin M.; Burton, Sarah D.; Kwak, Ja Hun; Felmy, Andrew R.; Hu, Jian Z.

    2011-03-27

    Geological carbon sequestration (GCS) is one of the most promising ways of mitigating atmospheric greenhouse gases (1-3). Mineral carbonation reactions are potentially important to the long-term sealing effectiveness of caprock but remain poorly predictable, particularly in low-water supercritical CO2 (scCO2)-dominated environments where the chemistry has not been adequately explored. In situ probes that provide molecular-level information is desirable for investigating mechanisms and rates of GCS mineral carbonation reactions. MAS-NMR is a powerful tool for obtaining detailed molecular structure and dynamics information of a system regardless whether the system is in a solid, a liquid, a gaseous, or a supercritical state, or a mixture thereof (4,5). However, MAS NMR under scCO2 conditions has never been realized due to the tremendous technical difficulties of achieving and maintaining high pressure within a fast spinning MAS rotor (6,7), where non-metal materials must be used. In this work, we report development of a unique high pressure MAS NMR capability, and its application to mineral carbonation chemistry in scCO2 under geologically relevant temperatures and pressures.

  6. Arctic Gakkel Ridge hydrothermal plume study by in-situ redox and particle size measurements.

    NASA Astrophysics Data System (ADS)

    Nakamura, K.; Edmonds, H. N.; Winsor, P.; Liljebladh, B.; Stranne, C.; Upchurch, L.; Singh, H.; Jakuba, M.; Willis, C.; Shank, T.; Humphris, S. E.; Reves-Sohn, R.

    2007-12-01

    Throughout the Arctic Gakkel Vents Expediton (AGAVE cruise), Eh electrodes (redox sensor) were mounted on all vehicles, i.e., CTD/rosette, PUMA and JAGUAR AUVs and mini-ROV CAMPER. The electrodes voltages were logged through either SBE 9+ auxiliary channel (CTD) or RS-232C ports (PUMA and CAMPER) or self-recorded by an independent logger (JAGUAR). The LISST (Laser In-Situ Scattering and Transimssiometry)-Deep particle size analyzer was attached on the CTD/rosette with an independent data logger and a battery pack. Redox sensor has been used widely over different tectonic and oceanographic settings to detect hydrothermal emission. Negative shifts of redox voltage in the course of vehicle track lines as well as CTD casts provide an indication of "close range" from the source. None of CTD cast in the peridotite site (~85 deg N, 7.5 deg E) showed any redox negative shift. There were various magnitude of redox negative shift in different height from the bottom recorded in CTD casts and AUV and CAMPER track lines in the volcano site near the eastern end of bared central high (~85.5 deg N, 85 deg E). Although the redox negative shifts varied from almost a mV to almost a hundred mV, the redox data collected during the cruise could not confirm the existence of high temperature vents in the volcano site.

  7. In Situ High-Pressure X-ray Diffraction Study of H2O Ice VII

    SciTech Connect

    Somayazulu,M.; Shu, J.; Zha, C.; Goncharov, A.; Tschauner, O.; Mao, H.; Hemley, R.

    2008-01-01

    Ice VII was examined over the entire range of its pressure stability by a suite of x-ray diffraction techniques in order to understand a number of unexplained characteristics of its high-pressure behavior. Axial and radial polycrystalline (diamond anvil cell) x-ray diffraction measurements reveal a splitting of diffraction lines accompanied by changes in sample texture and elastic anisotropy. In situ laser heating of polycrystalline samples resulted in the sharpening of diffraction peaks due to release of nonhydrostatic stresses but did not remove the splitting. Radial diffraction measurements indicate changes in strength of the material at this pressure. Taken together, these observations provide evidence for a transition in ice VII near 14 GPa involving changes in the character of the proton order/disorder. The results are consistent with previous reports of changes in phase boundaries and equation of state at this pressure. The transition can be interpreted as ferroelastic with the appearance of spontaneous strain that vanishes at the hydrogen bond symmetrization transition near 60 GPa.

  8. Field and numerical analysis of in-situ air sparging: a case study.

    PubMed

    Benner, M L; Stanford, S M; Lee, L S; Mohtar, R H

    2000-02-25

    An in-situ air sparging operation was used to remediate the sandy subsurface soils and shallow groundwater under a drum storage site near Chicago, IL, where either periodic or random spillage of a light non-aqueous phase liquid (LNAPL) occurred between 1980 and 1987. Both field measurements and model simulations using commercially available computer software suggested that microbial degradation was the most significant contributor to the removal of contaminant mass. Toluene, ethylbenzene and total xylenes (TEX), which were of major concern with regards to reaching clean-up criteria at the site, were observed to decline by 88% in concentration. Furthermore, up to 97% of the total mass removed through microbial degradation consisted of TEX. Of the total contaminant spill, up to 23% of initial organic chemical mass was removed through microbial degradation compared to less than 6% by physical stripping. Greater loss to microbial degradation is most likely attributed to the relatively low air injection rate used during the course of the air sparging remediation. Evaluation of air sparging at the site using model simulations supported this analysis by estimating 140 and 620 kg of total contaminant mass being removed through volatilization and biodegradation, respectively. An evaluation of several system design parameters using model simulations suggested that only the type of sparging operation (i.e. pulsed or continuous) was significant in terms of total contaminant removal time, while both the sparging operation and air injection rate were significant in terms of removal of a critical species, total xylenes.

  9. Effect of palygorskite clay on pyrolysis of rape straw: an in situ catalysis study.

    PubMed

    Liu, Haibo; Chen, Tianhu; Chang, Dongyin; Chen, Dong; Xie, Jingjing; Frost, Ray L

    2014-03-01

    Biomass tar restricts the wide application and development of biomass gasification technology. In the present paper, palygorskite, a natural magnesium-containing clay mineral, was investigated for catalytic pyrolysis of rape straw in situ and compared with the dolomite researched widely. The two types of natural minerals were characterized with XRD and BET. The results showed that combustible gas derived from the pyrolysis increased with an increase in gasification temperature. The H(conversion) and C(conversion) increased to 44.7% and 31% for the addition of palygorskite and increased to 41.3% and 31.3% for the addition of dolomite at the gasification temperature of 800°C, compared with 15.1% and 5.6% without addition of the two types of material. It indicated that more biomass was converted into combustible gases implying the decrease in biomass tar under the function of palygorskite or dolomite and palygorskite had a slightly better efficiency than that of dolomite in the experimental conditions. PMID:24407686

  10. In-situ X-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions

    SciTech Connect

    Salmeron, Miquel; Yamamoto, S.; Bluhm, H.; Andersson, K.; Ketteler, G.; Ogasawara, H.; Salmeron, M.; Nilsson, A.

    2007-10-29

    X-ray photoelectron spectroscopy (XPS) is a powerful tool for surface and interface analysis, providing the elemental composition of surfaces and the local chemical environment of adsorbed species. Conventional XPS experiments have been limited to ultrahigh vacuum (UHV) conditions due to a short mean free path of electrons in a gas phase. The recent advances in instrumentation coupled with third-generation synchrotron radiation sources enables in-situ XPS measurements at pressures above 5 Torr. In this review, we describe the basic design of the ambient pressure XPS setup that combines differential pumping with an electrostatic focusing. We present examples of the application of in-situ XPS to studies of water adsorption on the surface of metals and oxides including Cu(110), Cu(111), TiO2(110) under environmental conditions of water vapor pressure. On all these surfaces we observe a general trend where hydroxyl groups form first, followed by molecular water adsorption. The importance of surface OH groups and their hydrogen bonding to water molecules in water adsorption on surfaces is discussed in detail.

  11. Investigation of three home-applied bleaching agents on enamel structure and mechanical properties: an in situ study

    NASA Astrophysics Data System (ADS)

    Sa, Yue; Wang, Zhejun; Ma, Xiao; Lei, Chang; Liang, Shanshan; Sun, Lili; Jiang, Tao; Wang, Yining

    2012-03-01

    The safety of at-home tooth bleaching, based upon carbamide peroxide (CP) or hydrogen peroxide (HP) as the active agent, has been questioned. The aim of the present study was to investigate the effects of three differently concentrated home-applied bleaching agents on human enamel under in situ conditions. Sixty specimens were divided randomly into four groups and treated with 10% CP, 15% CP, 20% CP, and distilled water, respectively. Raman spectroscopy, attenuated total reflectance-infrared (ATR-IR) spectroscopy, atomic force microscopy (AFM), microhardness, and fracture toughness (FT) measurements were conducted to determine variations on enamel structure and mechanical properties before and after the bleaching process. Raman revealed little variation of Raman relative intensity after treatment with CP, which was consistent with the results of ATR-IR, AFM, and microhardness analyses. In addition, laser-induced fluorescence (LIF) intensity, and FT showed significant decreases on CP-treated specimens. These findings suggested there were minimal demineralization effects of the three at-home bleaching agents on enamel in situ. However, the decrease of LIF intensity and FT on enamel seemed to be inevitable.

  12. In situ characterization of protein aggregates in human tissues affected by light chain amyloidosis: a FTIR microspectroscopy study

    PubMed Central

    Ami, Diletta; Lavatelli, Francesca; Rognoni, Paola; Palladini, Giovanni; Raimondi, Sara; Giorgetti, Sofia; Monti, Luca; Doglia, Silvia Maria; Natalello, Antonino; Merlini, Giampaolo

    2016-01-01

    Light chain (AL) amyloidosis, caused by deposition of amyloidogenic immunoglobulin light chains (LCs), is the most common systemic form in industrialized countries. Still open questions, and premises for developing targeted therapies, concern the mechanisms of amyloid formation in vivo and the bases of organ targeting and dysfunction. Investigating amyloid material in its natural environment is crucial to obtain new insights on the molecular features of fibrillar deposits at individual level. To this aim, we used Fourier transform infrared (FTIR) microspectroscopy for studying in situ unfixed tissues (heart and subcutaneous abdominal fat) from patients affected by AL amyloidosis. We compared the infrared response of affected tissues with that of ex vivo and in vitro fibrils obtained from the pathogenic LC derived from one patient, as well as with that of non amyloid-affected tissues. We demonstrated that the IR marker band of intermolecular β-sheets, typical of protein aggregates, can be detected in situ in LC amyloid-affected tissues, and that FTIR microspectroscopy allows exploring the inter- and intra-sample heterogeneity. We extended the infrared analysis to the characterization of other biomolecules embedded within the amyloid deposits, finding an IR pattern that discloses a possible role of lipids, collagen and glycosaminoglycans in amyloid deposition in vivo. PMID:27373200

  13. In situ ESEM study of the thermal decomposition of chrysotile asbestos in view of safe recycling of the transformation product.

    PubMed

    Gualtieri, Alessandro F; Gualtieri, Magdalena Lassinantti; Tonelli, Massimo

    2008-08-15

    The thermal transformation of asbestos into non-hazardous crystalline phases and their recycling is a promising solution for the "asbestos problem". The most common asbestos-containing industrial material produced worldwide is cement-asbestos. Knowledge of the kinetics of thermal transformation of asbestos fibers in cement-asbestos is of paramount importance for the optimization of the firing process at industrial scale. Here, environmental scanning electron microscopy (ESEM) was used for the first time to follow in situ the thermal transformation of chrysotile fibers present in cement-asbestos. It was found that the reaction kinetics of thermal transformation of chrysotile was highly slowed down in the presence of water vapor in the experimental chamber with respect to He. This was explained by chemisorbed water on the surface of the fibers which affected the dehydroxylation reaction and consequently the recrystallization into Mg-silicates. In the attempt to investigate alternative and faster firing routes for the decomposition of asbestos, a low melting glass was mixed with cement-asbestos and studied in situ to assess to which extent the decomposition of asbestos is favored. It was found that the addition of a low melting glass to cement-asbestos greatly improved the decomposition reaction and decreased the transformation temperatures. PMID:18234421

  14. In Situ Study on Current Density Distribution and Its Effect on Interfacial Reaction in a Soldering Process

    NASA Astrophysics Data System (ADS)

    Qu, Lin; Zhao, Ning; Ma, Haitao; Zhao, Huijing; Huang, Mingliang

    2015-01-01

    The interfacial reaction in Cu/Sn/Cu solder joint during liquid-solid eletromigration (EM) was in situ studied using synchrotron radiation real-time imaging technology. The current density distribution in the solder joint was analyzed with the finite element method (FEM). The relationships among solder shape, current density distribution, Cu dissolution, and the formation and dissolution of interfacial intermetallic compound (IMC) were revealed. The current promoted dissolution of the cathode IMC and growth of the anode IMC and suppressed the dissolution of anode Cu. The change of interfacial IMC had little effect on the current density distribution; however, the dissolution of cathode Cu, which changed the solder shape, had a significant effect on the current density distribution. The dissolution of cathode Cu under forward current and cathode IMC under reverse current and the growth of anode IMC under forward current was faster where the current density was higher. The synchrotron radiation real-time imaging technology can not only in situ observe the change of solder shape, the dissolution and growth behavior of interfacial IMC and the dissolution behavior of substrate in a soldering process but also provide data needed for numerical simulation of current density distribution in a solder joint.

  15. In situ characterization of protein aggregates in human tissues affected by light chain amyloidosis: a FTIR microspectroscopy study.

    PubMed

    Ami, Diletta; Lavatelli, Francesca; Rognoni, Paola; Palladini, Giovanni; Raimondi, Sara; Giorgetti, Sofia; Monti, Luca; Doglia, Silvia Maria; Natalello, Antonino; Merlini, Giampaolo

    2016-01-01

    Light chain (AL) amyloidosis, caused by deposition of amyloidogenic immunoglobulin light chains (LCs), is the most common systemic form in industrialized countries. Still open questions, and premises for developing targeted therapies, concern the mechanisms of amyloid formation in vivo and the bases of organ targeting and dysfunction. Investigating amyloid material in its natural environment is crucial to obtain new insights on the molecular features of fibrillar deposits at individual level. To this aim, we used Fourier transform infrared (FTIR) microspectroscopy for studying in situ unfixed tissues (heart and subcutaneous abdominal fat) from patients affected by AL amyloidosis. We compared the infrared response of affected tissues with that of ex vivo and in vitro fibrils obtained from the pathogenic LC derived from one patient, as well as with that of non amyloid-affected tissues. We demonstrated that the IR marker band of intermolecular β-sheets, typical of protein aggregates, can be detected in situ in LC amyloid-affected tissues, and that FTIR microspectroscopy allows exploring the inter- and intra-sample heterogeneity. We extended the infrared analysis to the characterization of other biomolecules embedded within the amyloid deposits, finding an IR pattern that discloses a possible role of lipids, collagen and glycosaminoglycans in amyloid deposition in vivo. PMID:27373200

  16. In Situ Study of the Influence of Nickel on the Phase Transformation Kinetics in Austempered Ductile Iron

    NASA Astrophysics Data System (ADS)

    Saal, Patrick; Meier, Leopold; Li, Xiaohu; Hofmann, Michael; Hoelzel, Markus; Wagner, Julia N.; Volk, Wolfram

    2016-02-01

    Phase fractions and austenite carbon contents in austempered ductile iron samples with three different nickel contents were determined by in situ neutron diffraction. The samples were austenitized at 1178 K (905 °C) for 30 minutes and austempered for 3.5 hours at temperatures between 523 K and 723 K (250 °C and 450 °C) using a mirror furnace. Based on the in situ neutron diffraction studies, plateau times were derived, which determine the end of stage I reaction. The austenite contents increase for higher austempering temperatures when the austempering times are selected properly, considering the accelerated phase transformation at higher temperature. Appropriate austempering times were derived for austempering temperatures between 523 K and 723 K (250 °C and 450 °C). Increased nickel contents lead to higher austenite phase fractions. Moreover the retarding effect of nickel on the phase transformation was quantified. The plateau values of phase fraction and the according austempering times were converted to TTT diagrams. The evolution of the austenite carbon content shows a maximum at 623 K (350 °C) austempering temperature. This can be explained by temperature-dependent carbide precipitation and carbon diffusion into lattice defects. Fine carbides within the ferrite could be found by preliminary APT analysis.

  17. Consistent higher-twists analysis of moments of spin structure function

    SciTech Connect

    Alexandre Deur

    2005-08-01

    Available analyses on moments of the spin structure function g{sub 1} use different methods and are barely consistent with each other. We present an analysis of {Gamma}{sub 1}{sup p} using a method consistent with the studies of {Gamma}{sub 1}{sup n} and {Gamma}{sub 1}{sup p-n} already published. One result is that the higher twist coefficients seem to alternate signs: the relatively larger twist-6 contribution is partly suppressed by the twist-4 and twist-8 contributions. The size of twist-6 can be explained by the elastic contribution to the moments.

  18. Membrane Protein Structure, Function and Dynamics: A Perspective from Experiments and Theory

    PubMed Central

    Cournia, Zoe; Allen, Toby W.; Andricioaei, Ioan; Antonny, Bruno; Baum, Daniel; Brannigan, Grace; Buchete, Nicolae-Viorel; Deckman, Jason T.; Delemotte, Lucie; del Val, Coral; Friedman, Ran; Gkeka, Paraskevi; Hege, Hans-Christian; Hénin, Jérôme; Kasimova, Marina A.; Kolocouris, Antonios; Klein, Michael L.; Khalid, Syma; Lemieux, M. Joanne; Lindow, Norbert; Roy, Mahua; Selent, Jana; Tarek, Mounir; Tofoleanu, Florentina; Vanni, Stefano; Urban, Sinisa; Wales, David J.; Smith, Jeremy C.; Bondar, Ana-Nicoleta

    2015-01-01

    Membrane proteins mediate processes that are fundamental for the flourishing of biological cells. Membrane-embedded transporters move ions and larger solutes across membranes, receptors mediate communication between the cell and its environment and membrane-embedded enzymes catalyze chemical reactions. Understanding these mechanisms of action requires knowledge of how the proteins couple to their fluid, hydrated lipid membrane environment. We present here current studies in computational and experimental membrane protein biophysics, and show how they address outstanding challenges in understanding the complex environmental effects on the structure, function and dynamics of membrane proteins. PMID:26063070

  19. The polarized structure function of the nucleons with a non-extensive statistical quark model

    SciTech Connect

    Trevisan, Luis A.; Mirez, Carlos

    2013-05-06

    We studied an application of nonextensive thermodynamics to describe the polarized structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution, often used in the statistical models, were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and the chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon and by {Delta}u and {Delta}d of the polarized functions.

  20. Revisiting the mechanism of coagulation factor XIII activation and regulation from a structure/functional perspective

    PubMed Central

    Gupta, Sneha; Biswas, Arijit; Akhter, Mohammad Suhail; Krettler, Christoph; Reinhart, Christoph; Dodt, Johannes; Reuter, Andreas; Philippou, Helen; Ivaskevicius, Vytautas; Oldenburg, Johannes

    2016-01-01

    The activation and regulation of coagulation Factor XIII (FXIII) protein has been the subject of active research for the past three decades. Although discrete evidence exists on various aspects of FXIII activation and regulation a combinatorial structure/functional view in this regard is lacking. In this study, we present results of a structure/function study of the functional chain of events for FXIII. Our study shows how subtle chronological submolecular changes within calcium binding sites can bring about the detailed transformation of the zymogenic FXIII to its activated form especially in the context of FXIIIA and FXIIIB subunit interactions. We demonstrate what aspects of FXIII are important for the stabilization (first calcium binding site) of its zymogenic form and the possible modes of deactivation (thrombin mediated secondary cleavage) of the activated form. Our study for the first time provides a structural outlook of the FXIIIA2B2 heterotetramer assembly, its association and dissociation. The FXIIIB subunits regulatory role in the overall process has also been elaborated upon. In summary, this study provides detailed structural insight into the mechanisms of FXIII activation and regulation that can be used as a template for the development of future highly specific therapeutic inhibitors targeting FXIII in pathological conditions like thrombosis. PMID:27453290