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Sample records for situ structure-function studies

  1. 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.

  2. Structural, functional and spectroscopic MRI studies of methamphetamine addiction.

    PubMed

    Salo, Ruth; Fassbender, Catherine

    2012-01-01

    This chapter reviews selected neuroimaging findings related to long-term amphetamine and methamphetamine (MA) use. An overview of structural and functional (fMRI) MR studies, Diffusion Tensor Imaging (DTI), Magnetic Resonance Spectroscopy (MRS) and Positron Emission Tomography (PET) studies conducted in long-term MA abusers is presented. The focus of this chapter is to present the relevant studies as tools to understand brain changes following drug abstinence and recovery from addiction. The behavioral relevance of these neuroimaging studies is discussed as they relate to clinical symptoms and treatment. Within each imaging section this chapter includes a discussion of the relevant imaging studies as they relate to patterns of drug use (i.e., duration of MA use, cumulative lifetime dose and time MA abstinent) as well as an overview of studies that link the imaging findings to cognitive measures. In our conclusion we discuss some of the future directions of neuroimaging as it relates to the pathophysiology of addiction.

  3. Structure-function studies for the panacea, valproic acid.

    PubMed

    Terbach, Nicole; Williams, Robin S B

    2009-10-01

    The anticonvulsant properties of VPA (valproic acid), a branched short-chain fatty acid, were serendipitously discovered in 1963. Since then, therapeutic roles of VPA have increased to include bipolar disorder and migraine prophylaxis, and have more recently been proposed in cancer, Alzheimer's disease and HIV treatment. These numerous therapeutic roles elevate VPA to near 'panacea' level. Surprisingly, the mechanisms of action of VPA in the treatment of many of these disorders remain unclear, although it has been shown to alter a wide variety of signalling pathways and a small number of direct targets. To analyse the mechanism of action of VPA, a number of studies have defined the structural characteristics of VPA-related compounds giving rise to distinct therapeutic and cellular effects, including adverse effects such as teratogenicity and hepatotoxicity. These studies raise the possibility of identifying target-specific novel compounds, providing better therapeutic action or reduced side effects. This short review will describe potential therapeutic pathways targeted by VPA, and highlight studies showing structural constraints necessary for these effects.

  4. Aromatase, estrone sulfatase, and 17β-hydroxysteroid dehydrogenase: structure-function studies and inhibitor development.

    PubMed

    Hong, Yanyan; Chen, Shiuan

    2011-07-04

    Aromatase, estrone sulfatase, and 17β-hydroxysteroid dehydrogenase type 1 are involved in the key steps of 17β-estradiol biosynthesis. Structure-function studies of aromatase, estrone sulfatase and 17β-hydroxysteroid dehydrogenase type 1 are important to evaluate the molecular basis of the interaction between these enzymes and their inhibitors. Selective and potent inhibitors of the three enzymes have been developed as antiproliferative agents in hormone-dependent breast carcinoma. New treatment strategies for hormone-dependent breast cancer are discussed.

  5. Structure-functional selectivity relationship studies of β-arrestin-biased dopamine D₂ receptor agonists.

    PubMed

    Chen, Xin; Sassano, Maria F; Zheng, Lianyou; Setola, Vincent; Chen, Meng; Bai, Xu; Frye, Stephen V; Wetsel, William C; Roth, Bryan L; Jin, Jian

    2012-08-23

    Functionally selective G protein-coupled receptor (GPCR) ligands, which differentially modulate canonical and noncanonical signaling, are extremely useful for elucidating key signal transduction pathways essential for both the therapeutic actions and side effects of drugs. However, few such ligands have been created, and very little purposeful attention has been devoted to studying what we term: "structure-functional selectivity relationships" (SFSR). We recently disclosed the first β-arrestin-biased dopamine D(2) receptor (D(2)R) agonists UNC9975 (44) and UNC9994 (36), which have robust in vivo antipsychotic drug-like activities. Here we report the first comprehensive SFSR studies focused on exploring four regions of the aripiprazole scaffold, which resulted in the discovery of these β-arrestin-biased D(2)R agonists. These studies provide a successful proof-of-concept for how functionally selective ligands can be discovered.

  6. [Obtaining of the affinity purified antibodies against survivin for the structure functional study of the protein].

    PubMed

    Akhidova, E V; Volkova, T D; Koroev, D O; Yakupov, I Iu; Kalintseva, M V; Zavalishina, L E; Kaplun, A P; Zharskaia, O O; Zatsepina, O V; Vol'pina, O M

    2013-01-01

    Tumor-associated protein survivin is the bifunctional protein which can participate either in cell division regulation or in apoptosis inhibition depending on its localization and structure state. The aim of this work was to obtain monospecific antibodies useful for investigation of protein structure and functional features. Six affinity purified antibodies directed to different protein regions were obtained. The ability of antibodies obtained to detect survivin in tumor cells and breast cancer tissues was studied. It was shown that antibodies to (1-22) and (95-105) survivin fragments have the highest specific activity. In western-blot antibodies to (1-22) region predominantly binds with survivin-containing complex, which may be the survivin dimer as we suppose, while antibodies to (95-105) region detects only monomeric form of the protein. Breast cancer tissues study demonstrated that survivin monomer presents only in the tumor core tissues, while survivin-containing complex is expressed both in tumor core and tumor periphery tissues. It was shown that antibodies to (1-22) fragment detect predominantly nuclear survivin, which participates in mitosis regulation, while antibodies to (95-105) fragment gave nucleoplasm and cytoplasm staining at all stages of cell cycle. Thereby antibodies obtained are the useful tool for structure-functional study of survivin.

  7. 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.

  8. 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.

  9. A Study of Hippocampal Structure-function Relations Along the Septo-temporal Axis

    PubMed Central

    Jarrard, Leonard E.; Luu, Lisa P.; Davidson, Terry L.

    2014-01-01

    This study examined structural-functional differences along the septo-temporal axis of hippocampus using radial-maze tasks that involved two different memory processes (reference memory (RM), working memory (WM)), and the utilization of two kinds of information (spatial vs. nonspatial cue learning). In addition, retention of the nonspatial cue task was tested nine weeks following completion of acquisition, and the rats then underwent discrimination reversal training. Ibotenic acid lesions limited to either the dorsal pole, intermediate area, or ventral pole had minimal effects on acquisition of the complex place and cue discrimination tasks. The one exception was that rats with lesions confined to the dorsal third of hippocampus made more WM errors on the spatial task (but not the cue task) early in training. Selective lesions of the three hippocampal regions had no effects on either long-term retention or reversal of the nonspatial cue discrimination task. In contrast, rats that had all of the hippocampus removed were severely impaired in learning the spatial task, making many RM and WM errors, while on the nonspatial cue task the impairment was limited to WM errors. Further analysis of the WM errors made in acquisition showed that rats with complete lesions were significantly more likely on both the spatial and nonspatial cue tasks to reenter arms that had been baited and visited on that trial compared to arms that had not been baited. A similar pattern of errors emerged for complete hippocampal lesioned rats during reversal discrimination. This pattern of errors suggests that in addition to an impairment in handling spatial information, complete removal of hippocampus also interferes with the ability to inhibit responding to cues that signal reward under some conditions but not under others. The finding that selective lesions limited to the intermediate zone of the hippocampus produce no impairment in either working memory (‘rapid place learning’) or

  10. A study of hippocampal structure-function relations along the septo-temporal axis.

    PubMed

    Jarrard, Leonard E; Luu, Lisa P; Davidson, Terry L

    2012-04-01

    This study examined structural-functional differences along the septo-temporal axis of hippocampus using radial-maze tasks that involved two different memory processes [reference memory (RM) and working memory (WM)], and the use of two kinds of information (spatial vs. nonspatial cue learning). In addition, retention of the nonspatial cue task was tested nine weeks following completion of acquisition, and the rats then underwent discrimination reversal training. Ibotenic acid lesions limited to either the dorsal pole, intermediate area, or ventral pole had minimal effects on acquisition of the complex place and cue discrimination tasks. The one exception was that rats with lesions confined to the dorsal third of hippocampus made more WM errors on the spatial task (but not the cue task) early in training. Selective lesions of the three hippocampal regions had no effects on either long-term retention or reversal of the nonspatial cue discrimination task. In contrast, rats that had all of the hippocampus removed were severely impaired in learning the spatial task, making many RM and WM errors, whereas on the nonspatial cue task, the impairment was limited to WM errors. Further analysis of the WM errors made in acquisition showed that rats with complete lesions were significantly more likely on both the spatial and nonspatial cue tasks to reenter arms that had been baited and visited on that trial compared to arms that had not been baited. A similar pattern of errors emerged for complete hippocampal lesioned rats during reversal discrimination. This pattern of errors suggests that in addition to an impairment in handling spatial information, complete removal of hippocampus also interferes with the ability to inhibit responding to cues that signal reward under some conditions but not under others. The finding that selective lesions limited to the intermediate zone of the hippocampus produce no impairment in either WM ("rapid place learning") or RM in our radial maze

  11. 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.

  12. A structure-function study of MID1 mutations associated with a mild Opitz phenotype.

    PubMed

    Mnayer, Laila; Khuri, Sawsan; Merheby, Hassan Al-Ali; Meroni, Germana; Elsas, Louis J

    2006-03-01

    The X-linked form of Opitz syndrome (OS) affects midline structures and produces a characteristic, but heterogeneous, phenotype that may include severe mental retardation, hypertelorism, broad nasal bridge, widow's peak, cleft lip/cleft palate, congenital heart disease, laryngotracheal defects, and hypospadias. The MID1 gene was implicated in OS by linkage to Xp22. It encodes a 667 amino acid protein that contains a RING finger motif, two B-box zinc fingers, a coiled-coil, a fibronectin type III (FNIII) domain, and a B30.2 domain. Several mutations in MID1 are associated with severe OS. Here, we describe an intelligent male with a milder phenotype characterized by hypertelorism, broad nasal bridge, widow's peak, mild hypospadias, pectus excavatum, and a surgically corrected tracheo-esophageal fistula. He has an above average intelligence and no cleft lip/palate or heart disease. We identified a novel mutation in MID1 (P441L) which is in exon 8 and functionally associated with the FNIII domain. While OS phenotypes have been attributed to mutations in the C-terminal part of MID1, little is currently known about the structure-function relationships of MID1 mutations, and how they affect phenotype. We find from a literature review that missense mutations within the FNIII domain of MID1 are associated with a milder presentation of OS than missense mutations elsewhere in MID1. All truncating mutations (frameshift, insertions/deletions) lead to severe OS. We used homology analysis of the MID1 FNIII domain to investigate structure-function changes caused by our missense mutation. This and other missense mutations probably cause disruption of protein-protein interactions, either within MID1 or between MID1 and other proteins. We correlate these protein structure-function findings to the absence of CNS or palatal changes and conclude that the FNIII domain of the MID1 protein may be involved in midline differentiation after neural tube and palatal structures are completed.

  13. Structure-function studies of the lustrin A polyelectrolyte domains, RKSY and D4.

    PubMed

    Wustman, Brandon A; Weaver, James C; Morse, Daniel E; Evans, John Spencer

    2003-01-01

    The lustrin superfamily represents a unique group of biomineralization proteins localized between layered aragonite mineral plates (i.e., nacre layers) in mollusk shell. These proteins not only exhibit elastomeric behavior within the mineralized matrix, but also adhesion to the aragonite-containing composite layer. One member of the lustrin superfamily, Lustrin A, has been sequenced; the protein is organized into defined, modular sequence domains that are hypothesized to perform separate functions (i.e., force unfolding, mineral adhesion, intermolecular binding) within the Lustrin A protein. Using nuclear magnetic resonance (NMR) and in vitro mineralization assays, we investigated structure-function relationships for two Lustrin A putative mineral binding domains, the 30 AA Arg, Lys, Tyr, Ser-rich (RKSY) and the 24 AA Asp-rich (D4) sequence regions domain of the Lustrin A protein. The results indicate that both sequences adopt open, unfolded structures that represent either extended or random coil states. Using geologic calcite overgrowth assays and scanning electron microscopic analyses, we observe that the RKSY polypeptide does not significantly perturb calcium carbonate growth. However, the D4 domain does influence crystal growth in a concentration-dependent manner. Collectively, our data indicate that D4, and not the RKSY domain, exhibits structure-function activity consistent with a mineral binding region.

  14. Structure-function study of the fourth transmembrane segment of the GABAρ1 receptor

    PubMed Central

    Estrada-Mondragón, Argel; Reyes-Ruiz, Jorge Mauricio; Martínez-Torres, Ataúlfo; Miledi, Ricardo

    2010-01-01

    The Cys-loop family of receptors mediates synaptic neurotransmission in the central nervous system of vertebrates. These receptors share several structural characteristics and assemble in the plasma membrane as multimers with fivefold symmetry. Of these, the ionotropic GABA receptors are key players in the pathogenesis of diseases like epilepsy, anxiety, and schizophrenia. Different experimental approaches have shed some light on the mechanisms behind the function of these receptors; but little is known about their structure at high resolution. Sequence homology with the nicotinic acetylcholine receptor predicts that ionotropic GABA receptors possess four transmembrane segments (TM1–4) and that TM2 forms the wall of the ion channel. However, the role of the other three segments is unclear. The GABAρ1 receptor plays a fundamental role in the regulation of neurotransmission along the visual pathway, is highly sensitive to GABA, and exhibits little desensitization. In our recent investigations of the role of TM4 in receptor function, a key residue in this domain (W475) was found to be involved in activation of the receptor. Here we have generated a structural model of the GABAρ1 receptor in silico and assessed its validity by electrophysiologically testing nine amino acid substitutions of W475 and deletions of the neighboring residues (Y474 and S476). The results identify a critical linkage between the ligand-binding domain and the TM4 domain and provide a framework for more detailed structure-function analyses of ionotropic GABA receptors. PMID:20876117

  15. Structure-function studies of the human immunodeficiency virus type 1 matrix protein, p17.

    PubMed Central

    Cannon, P M; Matthews, S; Clark, N; Byles, E D; Iourin, O; Hockley, D J; Kingsman, S M; Kingsman, A J

    1997-01-01

    The human immunodeficiency virus type 1 (HIV-1) matrix protein, p17, plays important roles in both the early and late stages of the viral life cycle. Using our previously determined solution structure of p17, we have undertaken a rational mutagenesis program aimed at mapping structure-function relationships within the molecule. Amino acids hypothesized to be important for p17 function were mutated and examined for effect in an infectious proviral clone of HIV-1. In parallel, we analyzed by nuclear magnetic resonance spectroscopy the structure of recombinant p17 protein containing such substitutions. These analyses identified three classes of mutants that were defective in viral replication: (i) proteins containing substitutions at internal residues that grossly distorted the structure of recombinant p17 and prevented viral particle formation, (ii) mutations at putative p17 trimer interfaces that allowed correct folding of recombinant protein but produced virus that was defective in particle assembly, and (iii) substitution of basic residues in helix A that caused some relocation of virus assembly to intracellular locations and produced normally budded virions that were completely noninfectious. PMID:9094619

  16. Photon structure function - theory

    SciTech Connect

    Bardeen, W.A.

    1984-12-01

    The theoretical status of the photon structure function is reviewed. Particular attention is paid to the hadronic mixing problem and the ability of perturbative QCD to make definitive predictions for the photon structure function. 11 references.

  17. Parametric melting studies for in situ vitrification

    SciTech Connect

    Fryer, M.O.; Hawkes, G.L.; Murray, P.E.

    1991-11-01

    This report describes a series of simulation studies which examine heat conduction and electric heating during in situ vitrification (ISV). The simulation studies determine the effects of soil parameter changes on the ISV process. Changes in heat capacity, thermal conductivity and electrical conductivity are considered. The results of these studies provide a basis for experimental measurement accuracy requirements.

  18. 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.

  19. Mutants of Chlamydomonas: tools to study thylakoid membrane structure, function and biogenesis.

    PubMed

    de Vitry, C; Vallon, O

    1999-06-01

    The unicellular green alga Chlamydomonas reinhardtii is a model system for the study of photosynthesis and chloroplast biogenesis. C. reinhardtii has a photosynthesis apparatus similar to that of higher plants and it grows at rapid rate (generation time about 8 h). It is a facultative phototroph, which allows the isolation of mutants unable to perform photosynthesis and its sexual cycle allows a variety of genetic studies. Transformation of the nucleus and chloroplast genomes is easily performed. Gene transformation occurs mainly by homologous recombination in the chloroplast and heterologous recombination in the nucleus. Mutants are precious tools for studies of thylakoid membrane structure, photosynthetic function and assembly. Photosynthesis mutants affected in the biogenesis of a subunit of a protein complex usually lack the entire complex; this pleiotropic effect has been used in the identification of the other subunits, in the attribution of spectroscopic signals and also as a 'genetic cleaning' process which facilitates both protein complex purification, absorption spectroscopy studies or freeze-fracture analysis. The cytochrome b6f complex is not required for the growth of C. reinhardtii, unlike the case of photosynthetic prokaryotes in which the cytochrome complex is also part of the respiratory chain, and can be uniquely studied in Chlamydomonas by genetic approaches. We describe in greater detail the use of Chlamydomonas mutants in the study of this complex.

  20. 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.

  1. Structural, functional, and bioinformatics studies reveal a new snake venom homologue phospholipase A₂ class.

    PubMed

    dos Santos, Juliana I; Cintra-Francischinelli, Mariana; Borges, Rafael J; Fernandes, Carlos A H; Pizzo, Paola; Cintra, Adélia C O; Braz, Antonio S K; Soares, Andreimar M; Fontes, Marcos R M

    2011-01-01

    Phospholipases A₂ (PLA₂s) are enzymes responsible for membrane disruption through Ca(2+) -dependent hydrolysis of phospholipids. Lys49-PLA₂s are well-characterized homologue PLA₂s that do not show catalytic activity but can exert a pronounced local myotoxic effect. These homologue PLA₂s were first believed to present residual catalytic activity but experiments with a recombinant toxin show they are incapable of catalysis. Herein, we present a new homologue Asp49-PLA₂ (BthTX-II) that is also able to exert muscle damage. This toxin was isolated in 1992 and characterized as presenting very low catalytic activity. Interestingly, this myotoxic homologue Asp49-PLA₂ conserves all the residues responsible for Ca(2+) coordination and of the catalytic network, features thought to be fundamental for PLA₂ enzymatic activity. Previous crystallographic studies of apo BthTX-II suggested this toxin could be catalytically inactive since a distortion in the calcium binding loop was observed. In this article, we show BthTX-II is not catalytic based on an in vitro cell viability assay and time-lapse experiments on C2C12 myotube cell cultures, X-ray crystallography and phylogenetic studies. Cell culture experiments show that BthTX-II is devoid of catalytic activity, as already observed for Lys49-PLA₂s. Crystallographic studies of the complex BthTX-II/Ca(2+) show that the distortion of the calcium binding loop is still present and impairs ion coordination even though Ca(2+) are found interacting with other regions of the protein. Phylogenetic studies demonstrate that BthTX-II is more phylogenetically related to Lys49-PLA₂s than to other Asp49-PLA₂s, thus allowing Crotalinae subfamily PLA₂s to be classified into two main branches: a catalytic and a myotoxic one. Copyright © 2010 Wiley-Liss, Inc.

  2. Whale (Balaenoptera physalus) haemoglobin: primary structure, functional characterisation and computer modelling studies.

    PubMed

    Corda, Marcella; Tamburrini, Maurizio; De Rosa, Maria C; Sanna, Maria T; Fais, Antonella; Olianas, Alessandra; Pellegrini, Mariagiuseppina; Giardina, Bruno; di Prisco, Guido

    2003-01-01

    The functional properties of haemoglobin from the Mediterranean whale Balaenoptera physalus have been studied as functions of heterotropic effector concentration and temperature. Particular attention has been given to the effect of carbon dioxide and lactate since the animal is specialised for prolonged dives often in cold water. The molecular basis of the functional behaviour and in particular of the weak interaction with 2,3-diphosphoglycerate is discussed in the light of the primary structure and of computer modelling. On these bases, it is suggested that the A2 (Pro-->Ala) substitution observed in the beta chains of whale haemoglobin may be responsible for the displacement of the A helix known to be a key structural feature in haemoglobins that display an altered interaction with 2,3-diphosphoglycerate as compared with human haemoglobin. The functional and structural results, discussed in the light of a previous study on the haemoglobin from the Arctic whale Balaenoptera acutorostrata, give further insights into the regulatory mechanisms of the interactive effects of temperature, carbon dioxide and lactate.

  3. Structure-function relationships in the visual system in multiple sclerosis: an MEG and OCT study.

    PubMed

    Tewarie, Prejaas; Balk, Lisanne J; Hillebrand, Arjan; Steenwijk, Martijn D; Uitdehaag, Bernard M J; Stam, Cornelis J; Petzold, Axel

    2017-09-01

    We conducted a multi-modal optical coherence tomography (OCT) and magnetoencephalography (MEG) study to test whether there is a relationship between retinal layer integrity and electrophysiological activity and connectivity (FC) in the visual network influenced by optic neuritis (ON) in patients with multiple sclerosis (MS). One hundred and two MS patients were included in this MEG/OCT study. Retinal OCT data were collected from the optic discs, macular region, and segmented. Neuronal activity and FC in the visual cortex was estimated from source-reconstructed resting-state MEG data by computing relative power and the phase lag index (PLI). Generalized estimating equations (GEE) were used to account for intereye within-patient dependencies. There was a significant relationship for both relative power and FC in the visual cortex with retinal layer thicknesses. The findings were influenced by the presence of MSON, particularly for connectivity in the alpha bands and the outer macular layers. In the absence of MSON, this relationship was dominated by the lower frequency bands (theta, delta) and inner and outer retinal layers. These results suggest that visual cortex FC more than activity alters in the presence of MSON, which may guide the understanding of FC plasticity effects following MSON.

  4. Preparation of Protein Samples for NMR Structure, Function, and Small Molecule Screening Studies

    PubMed Central

    Acton, Thomas B.; Xiao, Rong; Anderson, Stephen; Aramini, James; Buchwald, William A.; Ciccosanti, Colleen; Conover, Ken; Everett, John; Hamilton, Keith; Huang, Yuanpeng Janet; Janjua, Haleema; Kornhaber, Gregory; Lau, Jessica; Lee, Dong Yup; Liu, Gaohua; Maglaqui, Melissa; Ma, Lichung; Mao, Lei; Patel, Dayaban; Rossi, Paolo; Sahdev, Seema; Shastry, Ritu; Swapna, G.V.T.; Tang, Yeufeng; Tong, Saichiu; Wang, Dongyan; Wang, Huang; Zhao, Li; Montelione, Gaetano T.

    2014-01-01

    In this chapter, we concentrate on the production of high quality protein samples for NMR studies. In particular, we provide an in-depth description of recent advances in the production of NMR samples and their synergistic use with recent advancements in NMR hardware. We describe the protein production platform of the Northeast Structural Genomics Consortium, and outline our high-throughput strategies for producing high quality protein samples for nuclear magnetic resonance (NMR) studies. Our strategy is based on the cloning, expression and purification of 6X-His-tagged proteins using T7-based Escherichia coli systems and isotope enrichment in minimal media. We describe 96-well ligation-independent cloning and analytical expression systems, parallel preparative scale fermentation, and high-throughput purification protocols. The 6X-His affinity tag allows for a similar two-step purification procedure implemented in a parallel high-throughput fashion that routinely results in purity levels sufficient for NMR studies (> 97% homogeneity). Using this platform, the protein open reading frames of over 17,500 different targeted proteins (or domains) have been cloned as over 28,000 constructs. Nearly 5,000 of these proteins have been purified to homogeneity in tens of milligram quantities (see Summary Statistics, http://nesg.org/statistics.html), resulting in more than 950 new protein structures, including more than 400 NMR structures, deposited in the Protein Data Bank. The Northeast Structural Genomics Consortium pipeline has been effective in producing protein samples of both prokaryotic and eukaryotic origin. Although this paper describes our entire pipeline for producing isotope-enriched protein samples, it focuses on the major updates introduced during the last 5 years (Phase 2 of the National Institute of General Medical Sciences Protein Structure Initiative). Our advanced automated and/or parallel cloning, expression, purification, and biophysical screening

  5. 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.

  6. The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations.

    PubMed

    Grouleff, Julie; Irudayam, Sheeba Jem; Skeby, Katrine K; Schiøtt, Birgit

    2015-09-01

    The plasma membrane, which encapsulates human cells, is composed of a complex mixture of lipids and embedded proteins. Emerging knowledge points towards the lipids as having a regulating role in protein function. Furthermore, insight from protein crystallography has revealed several different types of lipids intimately bound to membrane proteins and peptides, hereby possibly pointing to a site of action for the observed regulation. Cholesterol is among the lipid membrane constituents most often observed to be co-crystallized with membrane proteins, and the cholesterol levels in cell membranes have been found to play an essential role in health and disease. Remarkably little is known about the mechanism of lipid regulation of membrane protein function in health as well as in disease. Herein, we review molecular dynamics simulation studies aimed at investigating the effect of cholesterol on membrane protein and peptide properties. This article is part of a Special Issue entitled: Lipid-protein interactions. Copyright © 2015. Published by Elsevier B.V.

  7. 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

  8. Structure/function studies of dogfish alpha-crystallin, comparison with bovine alpha-crystallin.

    PubMed

    Ghahghaei, A; Rekas, A; Carver, J A; Augusteyn, R C

    2009-11-20

    alpha-Crystallin is the major protein of the mammalian lens where it contributes to the refractive properties needed for vision and possibly to the stability of the tissue. The aim of this study was to determine whether the properties of alpha-crystallin have changed during the course of evolution. Dogfish alpha-crystallin, which appeared over 420 million years ago, has been contrasted with bovine alpha-crystallin, which emerged around 160 million years later, by comparing their sizes, the microenvironments of their cysteine and tryptophan residues, their chaperone-like activities and the flexibility of their COOH-terminal extensions. Dogfish alpha-crystallin consists of alphaA- and alphaB-polypeptides, in a 1:5 ratio, and has a molecular mass of around 400 kDa. By contrast, the bovine protein is around 600-800 kDa in mass and has a 3:1 subunit ratio. Cysteine residues in the proteins were equally accessible to reaction with 5,5'-dithiobis-(2-nitrobenzoic acid). Quenching of fluorescence with acrylamide indicated tryptophan residues in the two proteins were in similar environments. The chaperone activity of dogfish alpha-crystallin was comparable to that of bovine alpha-crystallin in preventing the heat-induced precipitation of beta(L)-crystallin but the dogfish protein was three times more effective at preventing insulin precipitation after reduction at 37 C. (1)H nuclear magnetic resonance spectroscopic studies showed that the last 17 amino acids of the dogfish alphaB polypeptide (V162-K178) have great conformational flexibility, are highly exposed to solvent and adopt little ordered conformation. This is comparable to, but slightly longer in length, than the COOH-terminal extension observed in mammalian alpha-crystallins. The structure and properties of alpha-crystallin have changed relatively little during the evolutionary period from the emergence of sharks and mammals.

  9. Structure/function studies of dogfish α-crystallin, comparison with bovine α-crystallin

    PubMed Central

    Ghahghaei, A.; Rekas, A.; Carver, J.A.

    2009-01-01

    Purpose α-Crystallin is the major protein of the mammalian lens where it contributes to the refractive properties needed for vision and possibly to the stability of the tissue. The aim of this study was to determine whether the properties of α-crystallin have changed during the course of evolution. Methods Dogfish α-crystallin, which appeared over 420 million years ago, has been contrasted with bovine α-crystallin, which emerged around 160 million years later, by comparing their sizes, the microenvironments of their cysteine and tryptophan residues, their chaperone-like activities and the flexibility of their COOH-terminal extensions. Results Dogfish α-crystallin consists of αA- and αB-polypeptides, in a 1:5 ratio, and has a molecular mass of around 400 kDa. By contrast, the bovine protein is around 600-800 kDa in mass and has a 3:1 subunit ratio. Cysteine residues in the proteins were equally accessible to reaction with 5,5'-dithiobis-(2-nitrobenzoic acid). Quenching of fluorescence with acrylamide indicated tryptophan residues in the two proteins were in similar environments. The chaperone activity of dogfish α-crystallin was comparable to that of bovine α-crystallin in preventing the heat-induced precipitation of βL-crystallin but the dogfish protein was three times more effective at preventing insulin precipitation after reduction at 37 ˚C. 1H nuclear magnetic resonance spectroscopic studies showed that the last 17 amino acids of the dogfish αB polypeptide (V162-K178) have great conformational flexibility, are highly exposed to solvent and adopt little ordered conformation. This is comparable to, but slightly longer in length, than the COOH-terminal extension observed in mammalian α-crystallins. Conclusions The structure and properties of α-crystallin have changed relatively little during the evolutionary period from the emergence of sharks and mammals. PMID:19956560

  10. 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.

  11. Structure/Function Studies and the Effects of Memantine in Monkeys with Experimental Glaucoma

    PubMed Central

    Gabelt, B'Ann T.; Rasmussen, Carol A.; Tektas, Ozan Y.; Kim, Charlene B. Y.; Peterson, John C.; Nork, T. Michael; Hoeve, James N. Ver; Lütjen-Drecoll, Elke; Kaufman, Paul L.

    2012-01-01

    Purpose. The scanning laser polarimetry with variable corneal compensation (GDx VCC) methodology was established and verified in monkeys with experimental glaucoma (ExpG). Terminal GDx parameters were correlated with axon counts and electrophysiologic measures. The effects of memantine on these parameters were investigated. Methods. ExpG was induced in monkeys and intraocular pressure monitored weekly. Some monkeys received memantine in their diet before and after ExpG induction (1–10 months). GDx VCC scans, stereophotographs, and multifocal visual evoked potential (mfVEP) data were collected at baseline and every 6 to 8 weeks until euthanasia. Optic nerves were prepared for axon counting and other morphologic analysis. Results. There was no difference in IOP elevation exposure between memantine-treated and no-memantine–treated monkeys. The percentage of the optic nerve area composed of connective tissue septa was significantly greater in ExpG eyes than in Fellow eyes. There was a strong positive correlation between axon counts and terminal GDx parameter measures. Animals not receiving memantine exhibited significantly lower mfVEP amplitudes in ExpG eyes compared with the ipsilateral baseline or the final value in the Fellow eye. ExpG eyes from memantine-treated animals had higher overall mean amplitudes that were not significantly different relative to the ipsilateral baseline and final amplitudes in the Fellow eye. Conclusions. The authors' studies confirm that GDx VCC can be utilized in monkey ExpG studies to detect early retinal structural changes and that these changes are highly correlated with optic nerve axon counts. These structural changes may or may not lead to central functional changes as shown by the mfVEP in response to investigational therapies. PMID:22427549

  12. [Recent progress in the theoretical studies of structure, function, and reaction of biological molecules].

    PubMed

    Hirao, Hajime; Morokuma, Keiji

    2011-01-01

    Essential biomolecular functions often involve electron-related events such as chemical reactions and photoluminescence phenomena. Theoretical description of such electronic processes requires the use of quantum mechanics (QM), but the number of atoms that can be handled with QM is usually smaller than the number of atoms present in a single protein. A reasonable strategy is therefore to give priority to a few tens or hundreds of atoms in the system and deal with them quantum mechanically. Lower-priority atoms influence the event occurring in the higher-priority area; therefore, their effect should also be taken into account. Under these circumstances, a reasonable approach is to apply two or more different theoretical methods to differently prioritized subsystems. QM can be combined, for example, with less accurate yet much less demanding molecular mechanics (MM). Our own N-layered integrated molecular orbital and molecular mechanics (ONIOM) method allows for such hybrid calculations, and our group has been applying it to a wide range of biology-related problems. In this paper, we briefly explain the theoretical background and the procedure for the theoretical investigation of biological systems. Subsequently, we provide an overview of some of our recent studies of metalloenzymes and photobiology-related problems.

  13. Multifocal VEP and OCT in optic neuritis: a topographical study of the structure-function relationship.

    PubMed

    Klistorner, Alexander; Arvind, H; Nguyen, T; Garrick, R; Paine, M; Graham, S; O'Day, J; Yiannikas, C

    2009-04-01

    To investigate topographical relationship between amplitude of multifocal visual evoked potentials (mfVEP) and retinal nerve fibre layer (RNFL) thickness following acute optic neuritis (ON). Fifty patients with a clinical diagnosis of acute unilateral ON between 6 and 36 months prior to the study and 25 age-matched controls underwent mfVEP testing (Accumap V 2.1, ObjectiVision Pty Ltd, Sydney, Australia) and OCT imaging (fast RNFL protocol, Stratus, software version 3.0, Carl Zeiss Meditec, Inc., Dublin, CA). RNFL thickness and mfVEP amplitude were measured for upper, temporal and lower retinal sectors and corresponding areas of the visual field in affected eyes of ON patients and control eyes. Inter-eye asymmetry coefficients for both RNFL thickness and mfVEP amplitude were calculated for each zone, and corresponding coefficients were correlated between each other. There was highly significant reduction of RNFL thickness and mean mfVEP amplitude in all three retinal sectors of the affected eye. Largest reduction of RNFL thickness was noticed in temporal sector and of mfVEP amplitude in corresponding central part of the visual field. RNFL thickness correlated highly with amplitude of the mfVEP derived from corresponding areas of the visual field in all three zones. We demonstrated strong topographical associations between structural and functional measures of optic nerve integrity in patients with ON.

  14. Improved purification of native meningococcal porin PorB and studies on its structure/function.

    PubMed

    Massari, Paola; King, Carol A; MacLeod, Heather; Wetzler, Lee M

    2005-12-01

    The outer membrane protein PorB of Neisseria meningitidis is a pore-forming protein which has various effects on eukaryotic cells. It has been shown to (1) up-regulate the surface expression of the co-stimulatory molecule CD86 and of MHC class II (which are TLR2/MyD88 dependent and related to the porin's immune-potentiating ability), (2) be involved in prevention of apoptosis by modulating the mitochondrial membrane potential, and (3) form pores in eukaryotic cells. As an outer membrane protein, its native trimeric form isolation is complicated by its insoluble nature, requiring the presence of detergent throughout the whole procedure, and by its tight association with other outer membrane components, such as neisserial LOS or lipoproteins. In this study, an improved chromatographic purification method to obtain an homogeneous product free of endotoxin and lipoprotein is described, without loss of any of the above-mentioned properties of the porin. Furthermore, we have investigated the requirement of the native trimeric structure for the porin's activity. Inactivation of functional PorB trimers into non-functional monomers was achieved by incubation on ice. Thus, routine long- and medium-term storage at low temperature may be a cause of porin inactivation.

  15. 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.

  16. In-Situ Study of Atmospheric Ice

    DTIC Science & Technology

    2004-12-01

    IN-SITU STUDY OF ATMOSPHERIC ICE Victor. F. Petrenko * and Michiya Higa Thayer School of Engineering, Dartmouth College 8000 Cummings Hall, Hanover...conductivity ( Petrenko and Whitworth 1999). Thus, it’s possible to distinguish between water and ice by measuring these electrical properties. This paper...Special Rep.83-17. the bottom of the ice sample and large columnar grains Petrenko , V.F. and Whitworth, R.W. (1999) Physics ofIce, were formed on the

  17. Structure function monitor

    DOEpatents

    McGraw, John T [Placitas, NM; Zimmer, Peter C [Albuquerque, NM; Ackermann, Mark R [Albuquerque, NM

    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.

  18. 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. © 2016 Elsevier Inc. All rights reserved.

  19. A FLUORESCENT CARBAPENEM FOR STRUCTURE FUNCTION STUDIES OF PENICILLIN-BINDING PROTEINS, B-LACTAMASES AND B-LACTAM SENSORS

    PubMed Central

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

    2014-01-01

    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 SDS-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. PMID:25058926

  20. 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.

  1. 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

  2. In situ synthesis studies of silicon clathrates

    NASA Astrophysics Data System (ADS)

    Hutchins, Peter Thomas

    Solid state clathrates have shown considerable potential as a new class of materials over the past 30 years. Experimental and theoretical studies have shown that precise tuning and synthetic control of these materials, may lead to desirable properties. Very little is known about the mechanism of formation of the clathrates and so the desire to have accurate synthetic control was, until now, unrealistic. This thesis address the problem using in situ synchrotron x-ray techniques. In this study, experiments were designed to utilise time-resolved in situ diffraction techniques and high temperature 23Na NMR, in efforts to understand the mechanism of formation for this class of expanded framework materials. A complex high vacuum capillary synthesis cell was designed for loading under inert conditions and operation under high vacuum at station 6.2 of the SRS Daresbury. The cell was designed to operate in conjunction with a custom made furnace capable of temperatures in excess of 1000 C, as well as a vacuum system capable of 10"5 bar. The clathrate system was studied in situ, using rapid data collection to elucidate the mechanism of formation. The data were analysed using Rietveld methods and showed a structural link between the monoclinic, C2/c, Zintl precursors and the cubic, Pm3n, clathrate I phase. The phases were found to be linked by relation of the sodium planes in the silicide and the sodium atoms resident at cages centres in the clathrate system. This evidence suggests the guest species is instrumental in formation of the clathrate structure by templating the formation of the cages in the structure. Solid state 23Na NMR was utilised to complete specially design experiments, similar to those complete in situ using synchrotron x-ray techniques. The experiments showed increased spherical symmetry of the alkali metal sites and suggested increased mobility of the guest atoms during heating. In addition, cyclic heating experiments using in situ diffraction showed

  3. In-situ studies of nanocatalysis.

    PubMed

    Zhang, Shiran; Nguyen, Luan; Zhu, Yuan; Zhan, Sihui; Tsung, Chia-Kuang Frank; Tao, Franklin Feng

    2013-08-20

    A heterogeneous catalyst in industry consists of nanoparticles with variable crystallite sizes, shapes, and compositions. Its catalytic performance (activity, selectivity, and durability) derives from surface chemistry of catalyst nanoparticles during catalysis. However, the surface chemistry of the catalyst particles during catalysis, termed in-situ information, is a "black box" because of the challenges in characterizing the catalysts during catalysis. The lack of such in-situ information about catalysts has limited the understanding of catalytic mechanisms and the development of catalysts with high selectivity and activity. The challenges in understanding heterogeneous catalysis include measurement of reaction kinetics, identification of reaction intermediates, bridging pressure gap and materials gap. The pressure gap is the difference in surface structure and chemistry between a catalyst during catalysis and under an ultrahigh vacuum (UHV) condition. The materials gap represents the difference between the structural and compositional complexity of industrial catalysts and the well-defined surface of model catalysts of metals or oxides. Development of in-situ characterization using electron spectroscopy and electron microscopy in recent decades has made possible studies of surface chemistry and structure of nanocatalysts under reaction conditions or during catalysis at near ambient pressure. In this Account, we review the new chemistries and structures of nanocatalysts during reactions revealed with in-situ analytical techniques. We discuss changes observed during catalysis including the evolution of composition, oxidation state, phase, and geometric structure of the catalyst surface, and the sintering of catalysts. These surface chemistries and structures have allowed researchers to build a correlation between surface chemistry and structure of active nanocatalysts and their corresponding catalytic performances. Such a correlation provides critical insights for

  4. The Neutron Structure Function

    NASA Astrophysics Data System (ADS)

    Holt, Roy

    2013-10-01

    Knowledge of the neutron structure function is important for testing models of the nucleon, for a complete understanding of deep inelastic scattering (DIS) from nuclei, and for high energy experiments. As there exist no free neutron targets, neutron structure functions have been determined from deep inelastic scattering from the deuteron. Unfortunately, the short-range part of the deuteron wave function becomes important in extracting the neutron structure function at very high Bjorken x. New methods have been devised for Jefferson Lab experiments to mitigate this problem. The BONUS experiment involves tagging spectator neutrons in the deuteron, while the MARATHON experiment minimizes nuclear structure effects by a comparison of DIS from 3H and 3He. A summary of the status and future plans will be presented. This work supported by the U. S. Department of Energy, Office of Nuclear Physics, under contract DE-AC02-06CH11357.

  5. 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

  6. SHiP: a new facility with a dedicated detector for studying tau-neutrino properties and nucleon structure functions

    NASA Astrophysics Data System (ADS)

    Bick, Daniel; SHiP collaboration

    2017-09-01

    SHiP is a new general purpose fixed target facility, whose Technical Proposal has been recently reviewed by the CERN SPS Committee, who recommended that the experiment proceeds further to a Comprehensive Design phase. In its initial phase, the 400 GeV proton beam extracted from the SPS will be dumped on a heavy target with the aim of integrating 2 × 1020 pot in 5 years. A dedicated detector downstream of the target will allow to probe a variety of models with light long-lived exotic particles and masses below a few GeV/c2. Another dedicated detector will allow the study of neutrino cross-sections and angular distributions, which was the focus of the poster. ντ deep inelastic scattering cross sections will be measured with a statistics 1000 times larger than currently available, with the extraction of the F 4 and F 5 structure functions, never measured so far and allow for new tests of lepton non-universality with sensitivity to BSM physics. Moreover, ντ ’s will be distinguished from {\\displaystyle \\bar{ν }}τ ’s, thus providing the first observation of the {\\displaystyle \\bar{ν }}τ . With νµ scattering it will be possible to reduce by about 50% the current uncertainty on the strange content of the nucleon in the range of the x variable between 0.05 and 0.3, complementary to LHC measurements. The detector will be based on several techniques developed for the OPERA experiment at LNGS.

  7. Complete backbone and DENQ side chain NMR assignments in proteins from a single experiment: implications to structure-function studies.

    PubMed

    Reddy, Jithender G; Hosur, Ramakrishna V

    2014-03-01

    Resonance assignment is the first and the most crucial step in all nuclear magnetic resonance (NMR) investigations on structure-function relationships in biological macromolecules. Often, the assignment exercise has to be repeated several times when specific interactions with ligands, substrates etc., have to be elucidated for understanding the functional mechanisms. While the protein backbone serves to provide a scaffold, the side chains interact directly with the ligands. Such investigations will be greatly facilitated, if there are rapid methods for obtaining exhaustive information with minimum of NMR experimentation. In this context, we present here a pulse sequence which exploits the recently introduced technique of parallel detection of multiple nuclei, e.g. (1)H and (13)C, and results in two 3D-data sets simultaneously. These yield complete backbone resonance assignment ((1)H(N), (15)N, (13)CO, (1)Hα/(13)Cα, and (1)Hβ/(13)Cβ chemical shifts) and side chain assignment of D, E, N and Q residues. Such an exhaustive assignment has the potential of yielding accurate 3D structures using one or more of several algorithms which calculate structures of the molecules very reliably on the basis of NMR chemical shifts alone. The side chain assignments of D, E, N, and Q will be extremely valuable for interaction studies with different ligands; D and E side chains are known to be involved in majority of catalytic activities. Utility of this experiment has been demonstrated with Ca(2+) bound M-crystallin, which contains largely D, E, N and Q residues at the metal binding sites.

  8. A structure-function study of PACAP using conformationally restricted analogs: Identification of PAC1 receptor-selective PACAP agonists.

    PubMed

    Ramos-Álvarez, Irene; Mantey, Samuel A; Nakamura, Taichi; Nuche-Berenguer, Bernardo; Moreno, Paola; Moody, Terry W; Maderdrut, Jerome L; Coy, David H; Jensen, Robert T

    2015-04-01

    Pituitary adenylate cyclase-activating polypeptide (PACAP) has widespread physiological/pathophysiological actions and there is increased interest for its use therapeutically, especially in the CNS (neuroprotection). Unfortunately, no selective PACAP-analogs exist for PACAP-preferring PAC1-receptors, primarily because of its high sequence identity to VIP and particularly, because of the inability of structure-function studies to separate the pharmacophore of PAC1-R from VPAC1-R, which has high affinity for PACAP and VIP. The present study attempted to develop PAC1-R-selective agonists primarily by making conformationally restricted PACAP-analogs in positions important for receptor-selectivity/affinity. Forty-six PACAP-related-analogs were synthesized with substitutions in positions 1-4, 14-17, 20-22, 28, 34, 38 and receptor-selectivity determined in PAC1-R,VPAC1-R,VPAC2-R-transfected or native cells from binding or cAMP-generation experiments. Fifteen PACAP-analogs had 6-78-fold higher affinities for PAC1-R than VPAC1-R and 13 were agonists. Although binding-affinities correlated significantly with agonist potency, the degree of receptor-spareness varied markedly for the different PACAP-analogs, resulting in selective potencies for activating the PAC1 receptor over the VPAC1 receptor from 0- to 103-fold. In addition, a number of PACAP-analogs were identified that had high selectivity for PAC1-R over VPAC2-R as well as PACAP-analogs that could prove more useful therapeutically because of substitutions known to extend their half-lives (substitutions at potential sites of proteolysis and attachment of long-chain fatty acids). This study provides for the first time a separation of the pharmacophores for PAC1-R and VPAC1-R, resulting in PACAP-related analogs that are PAC1-R-preferring. Some of these analogs, or their modifications, could prove useful as therapeutic agents for various diseases. Published by Elsevier Inc.

  9. Polarized DIS Structure Functions from Neural Networks

    SciTech Connect

    Del Debbio, L.; Guffanti, A.; Piccione, A.

    2007-06-13

    We present a parametrization of polarized Deep-Inelastic-Scattering (DIS) structure functions based on Neural Networks. The parametrization provides a bias-free determination of the probability measure in the space of structure functions, which retains information on experimental errors and correlations. As an example we discuss the application of this method to the study of the structure function g{sub 1}{sup p}(x,Q{sup 2})

  10. Thermal aggregation of patatin studied in situ.

    PubMed

    Pots, A M; ten Grotenhuis, E; Gruppen, H; Voragen, A G; de Kruif, K G

    1999-11-01

    In this work dynamic light scattering was used to study the thermal aggregation of patatin in situ, to elucidate the physical aggregation mechanism of the protein and to be able to relate the aggregation behavior to its structural properties. The dependence of the aggregation rates on the temperature and the ionic strength suggested a mechanism of slow coagulation, being both diffusion and chemically limited. The aggregation rate dependence on the protein concentration was in accordance with the mechanism proposed. The aggregation rates as obtained at temperatures ranging from 40 to 65 degrees C correlated well with unfolding of the protein at a secondary level. Small-angle neutron scattering and dynamic light scattering results were in good accordance; they revealed that native patatin has a cylindrical shape with a diameter and length of 5 and 9.8 nm, respectively.

  11. 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.

  12. A long-term study of AGN X-ray variability . Structure function analysis on a ROSAT-XMM quasar sample

    NASA Astrophysics Data System (ADS)

    Middei, R.; Vagnetti, F.; Bianchi, S.; La Franca, F.; Paolillo, M.; Ursini, F.

    2017-03-01

    Context. Variability in the X-rays is a key ingredient in understanding and unveiling active galactic nuclei (AGN) properties. In this band, flux variations occur on short timescales (hours) as well as on larger timescales. While short timescale variability is often investigated in single source studies, only a few works are able to explore flux variation on very long timescales. Aims: This work aims to provide a statistical analysis of the AGN long term X-ray variability. We study variability on the largest time interval ever investigated for the 0.2-2 keV band, up to approximately 20 yr rest-frame for a sample of 220 sources. Moreover, we study variability for 2700 quasars up to approximatley eight years rest-frame in the same (soft) band. Methods: We built our source sample using the 3XMM serendipitous source catalogue data release 5, and data from ROSAT All Sky Survey Bright and Faint source catalogues. To ensure that we selected AGN only, we used the Sloan Digital Sky Survey quasar catalogues data releases 7 and 12. Combining ROSAT and XMM-Newton observations, we investigated variability using the structure function analysis which describes the amount of variability as a function of the lag between the observations. Results: Our work shows an increase of the structure function up to 20 yr. We find no evidence of a plateau in the structure function on these long timescales. Conclusions: The increase of the structure function at long time lags suggests that variability in the soft X-rays can be influenced by flux variations originated in the accretion disk or that they take place in a region large enough to justify variation on such long timescales.

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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.

  14. 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.

  15. 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

  16. The microvascular effects of insulin resistance and diabetes on cardiac structure, function, and perfusion: a cardiovascular magnetic resonance study

    PubMed Central

    Larghat, Abdulghani M.; Swoboda, Peter P.; Biglands, John D.; Kearney, Mark T.; Greenwood, John P.; Plein, Sven

    2014-01-01

    Aims Type 2 diabetes mellitus is an independent risk factor for the development of heart failure. To better understand the mechanism by which this occurs, we investigated cardiac structure, function, and perfusion in patients with and without diabetes. Methods and results Sixty-five patients with no stenosis >30% on invasive coronary angiography were categorized into diabetes (19) and non-diabetes (46) which was further categorized into prediabetes (30) and controls (16) according to the American Diabetes Association guidelines. Each patient underwent comprehensive cardiovascular magnetic resonance assessment. Left-ventricular (LV) mass, relative wall mass (RWM), Lagrangian circumferential strain, LV torsion, and myocardial perfusion reserve (MPR) were calculated. LV mass was higher in diabetics than non-diabetics (112.8 ± 39.7 vs. 91.5 ± 21.3 g, P = 0.01) and in diabetics than prediabetics (112.8 ± 39.7 vs. 90.3 ± 18.7 g, P = 0.02). LV torsion angle was higher in diabetics than non-diabetics (9.65 ± 1.90 vs. 8.59 ± 1.91°, P = 0.047), and MPR was lower in diabetics than non-diabetics (2.10 ± 0.76 vs. 2.84 ± 1.25 mL/g/min, P = 0.01). There was significant correlation between MPR and early diastolic strain rate (r = −0.310, P = 0.01) and LV torsion (r = −0.306, P = 0.01). In multivariable linear regression analysis, non-diabetics waist–hip ratio, but not body mass index, had a significant association with RWM (Beta = 0.34, P = 0.02). Conclusion Patients with diabetes have increased LV mass, LV torsion, and decreased MPR. There is a significant association between decreased MPR and increased LV torsion suggesting a possible mechanistic link between microvascular disease and cardiac dysfunction in diabetes. PMID:25117473

  17. 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.

  18. 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.

  19. 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

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

    SciTech Connect

    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.

  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

    2016-08-30

    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.

  2. 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.

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

    DOE PAGES

    Shen, Chenfei; Ge, Mingyuan; Luo, Langli; ...

    2016-08-30

    Here 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 tomore » 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.« less

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

    SciTech Connect

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

    2016-08-30

    Here 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.

  5. Identification of berberine as a direct thrombin inhibitor from traditional Chinese medicine through structural, functional and binding studies

    PubMed Central

    Wang, Xing; Zhang, Yuxin; Yang, Ying; Wu, Xia; Fan, Hantian; Qiao, Yanjiang

    2017-01-01

    Thrombin acts as a key enzyme in the blood coagulation cascade and represents a potential drug target for the treatment of several cardiovascular diseases. The aim of this study was to identify small-molecule direct thrombin inhibitors from herbs used in traditional Chinese medicine (TCM). A pharmacophore model and molecular docking were utilized to virtually screen a library of chemicals contained in compositions of traditional Chinese herbs, and these analyses were followed by in vitro bioassay validation and binding studies. Berberine (BBR) was first confirmed as a thrombin inhibitor using an enzymatic assay. The BBR IC50 value for thrombin inhibition was 2.92 μM. Direct binding studies using surface plasmon resonance demonstrated that BBR directly interacted with thrombin with a KD value of 16.39 μM. Competitive binding assay indicated that BBR could bind to the same argartroban/thrombin interaction site. A platelet aggregation assay demonstrated that BBR had the ability to inhibit thrombin-induced platelet aggregation in washed platelets samples. This study proved that BBR is a direct thrombin inhibitor that has activity in inhibiting thrombin-induced platelet aggregation. BBR may be a potential candidate for the development of safe and effective thrombin-inhibiting drugs. PMID:28276481

  6. Comparative Study on Sequence-Structure-Function Relationship of the Human Short-chain Dehydrogenases/Reductases Protein Family.

    PubMed

    Tang, Nu Thi Ngoc; Le, Ly

    2014-01-01

    Human short-chain dehydrogenases/reductases (SDRs) protein family has been the subject of recent studies for its critical role in human metabolism. Studies also found that single nucleotide polymorphisms of the SDR protein family were responsible for a variety of genetic diseases, including type II diabetes. This study reports the effect of sequence variation on the structural and functional integrities of human SDR protein family using phylogenetics and correlated mutation analysis tools. Our results indicated that (i) tyrosine, serine, and lysine are signature protein residues that have direct contribution to the structural and functional stabilities of the SDR protein family, (ii) subgroups of SDR protein family have their own signature protein combination that represent their unique functionality, and (iii) mutations of the human SDR protein family showed high correlation in terms of evolutionary history. In combination, the results inferred that over evolutionary history, the SDR protein family was able to diverge itself in order to adapt with the changes in human nutritional demands. Our study reveals understanding of structural and functional scaffolds of specific SDR subgroups that may facilitate the design of specific inhibitor.

  7. Identification of berberine as a direct thrombin inhibitor from traditional Chinese medicine through structural, functional and binding studies.

    PubMed

    Wang, Xing; Zhang, Yuxin; Yang, Ying; Wu, Xia; Fan, Hantian; Qiao, Yanjiang

    2017-03-09

    Thrombin acts as a key enzyme in the blood coagulation cascade and represents a potential drug target for the treatment of several cardiovascular diseases. The aim of this study was to identify small-molecule direct thrombin inhibitors from herbs used in traditional Chinese medicine (TCM). A pharmacophore model and molecular docking were utilized to virtually screen a library of chemicals contained in compositions of traditional Chinese herbs, and these analyses were followed by in vitro bioassay validation and binding studies. Berberine (BBR) was first confirmed as a thrombin inhibitor using an enzymatic assay. The BBR IC50 value for thrombin inhibition was 2.92 μM. Direct binding studies using surface plasmon resonance demonstrated that BBR directly interacted with thrombin with a KD value of 16.39 μM. Competitive binding assay indicated that BBR could bind to the same argartroban/thrombin interaction site. A platelet aggregation assay demonstrated that BBR had the ability to inhibit thrombin-induced platelet aggregation in washed platelets samples. This study proved that BBR is a direct thrombin inhibitor that has activity in inhibiting thrombin-induced platelet aggregation. BBR may be a potential candidate for the development of safe and effective thrombin-inhibiting drugs.

  8. Identification of berberine as a direct thrombin inhibitor from traditional Chinese medicine through structural, functional and binding studies

    NASA Astrophysics Data System (ADS)

    Wang, Xing; Zhang, Yuxin; Yang, Ying; Wu, Xia; Fan, Hantian; Qiao, Yanjiang

    2017-03-01

    Thrombin acts as a key enzyme in the blood coagulation cascade and represents a potential drug target for the treatment of several cardiovascular diseases. The aim of this study was to identify small-molecule direct thrombin inhibitors from herbs used in traditional Chinese medicine (TCM). A pharmacophore model and molecular docking were utilized to virtually screen a library of chemicals contained in compositions of traditional Chinese herbs, and these analyses were followed by in vitro bioassay validation and binding studies. Berberine (BBR) was first confirmed as a thrombin inhibitor using an enzymatic assay. The BBR IC50 value for thrombin inhibition was 2.92 μM. Direct binding studies using surface plasmon resonance demonstrated that BBR directly interacted with thrombin with a KD value of 16.39 μM. Competitive binding assay indicated that BBR could bind to the same argartroban/thrombin interaction site. A platelet aggregation assay demonstrated that BBR had the ability to inhibit thrombin-induced platelet aggregation in washed platelets samples. This study proved that BBR is a direct thrombin inhibitor that has activity in inhibiting thrombin-induced platelet aggregation. BBR may be a potential candidate for the development of safe and effective thrombin-inhibiting drugs.

  9. Genome-wide identification and structure-function studies of proteases and protease inhibitors in Cicer arietinum (chickpea).

    PubMed

    Sharma, Ranu; Suresh, C G

    2015-01-01

    Proteases are a family of enzymes present in almost all living organisms. In plants they are involved in many biological processes requiring stress response in situations such as water deficiency, pathogen attack, maintaining protein content of the cell, programmed cell death, senescence, reproduction and many more. Similarly, protease inhibitors (PIs) are involved in various important functions like suppression of invasion by pathogenic nematodes, inhibition of spores-germination and mycelium growth of Alternaria alternata and response to wounding and fungal attack. As much as we know, no genome-wide study of proteases together with proteinaceous PIs is reported in any of the sequenced genomes till now. Phylogenetic studies and domain analysis of proteases were carried out to understand the molecular evolution as well as gene and protein features. Structural analysis was carried out to explore the binding mode and affinity of PIs for cognate proteases and prolyl oligopeptidase protease with inhibitor ligand. In the study reported here, a significant number of proteases and PIs were identified in chickpea genome. The gene expression profiles of proteases and PIs in five different plant tissues revealed a differential expression pattern in more than one plant tissue. Molecular dynamics studies revealed the formation of stable complex owing to increased number of protein-ligand and inter and intramolecular protein-protein hydrogen bonds. The genome-wide identification, characterization, evolutionary understanding, gene expression, and structural analysis of proteases and PIs provide a framework for future analysis when defining their roles in stress response and developing a more stress tolerant variety of chickpea. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. 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. © 2015 Chen et al.; Published by Cold Spring Harbor Laboratory Press.

  11. Structure-Function Studies of Blood and Air Capillaries in Chicken Lung Using 3D Electron Microscopy

    PubMed Central

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

    2010-01-01

    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

  12. Heterogeneity in the distal nephron of the salamander (Ambystoma tigrinum): a correlated structure function study of isolated tubule segments.

    PubMed

    Hinton, D E; Stoner, L C; Burg, M; Trump, B F

    1982-09-01

    Studies on isolated perfused tubules of the tiger salamander (Ambystoma tigrinum) have shown that the distal nephron is heterogeneous with respect to function (Stoner, 1977). In this study, the initial portion of the distal tubule (diluting segment) exhibited a voltage, positive in the lumen, and a net absorption of chloride. Since the chloride was transported against an electro-chemical gradient, its transport was active. More distad, the junctional segment exhibited a lumen-negative voltage and sodium, rather than chloride, was transported actively. More recently Delaney and Stoner (1981) have demonstrated in vitro that the collecting duct of this species also has a lumen-negative voltage which is probably associated with active sodium reabsorption. The primary objective of the present paper was to correlate the morphology of the diluting and junctional segments of the Ambystoma distal tubules with the physiologic data from the same isolated perfused tubules. The results indicate that the morphological heterogeneity previously demonstrated in distal tubules of Necturus exists with respect to both structure and function in Ambystoma. The cell types found in the amphibian distal nephron appear to be homologous to those seen in the mammalian nephron.

  13. Structure-Function Studies of Escherichia coli RpoH (σ32) by In Vitro Linker Insertion Mutagenesis

    PubMed Central

    Narberhaus, Franz; Balsiger, Sylvia

    2003-01-01

    The sigma factor RpoH (σ32) is the key regulator of the heat shock response in Escherichia coli. Many structural and functional properties of the sigma factor are poorly understood. To gain further insight into RpoH regions that are either important or dispensable for its cellular activity, we generated a collection of tetrapeptide insertion variants by a recently established in vitro linker insertion mutagenesis technique. Thirty-one distinct insertions were obtained, and their sigma factor activity was analyzed by using a groE-lacZ reporter fusion in an rpoH-negative background. Our study provides a map of permissive sites which tolerate linker insertions and of functionally important regions at which a linker insertion impairs sigma factor activity. Selected linker insertion mutants will be discussed in the light of known sigma factor properties and in relation to a modeled structure of an RpoH fragment containing region 2. PMID:12700252

  14. Structure-function studies of Escherichia coli RpoH (sigma32) by in vitro linker insertion mutagenesis.

    PubMed

    Narberhaus, Franz; Balsiger, Sylvia

    2003-05-01

    The sigma factor RpoH (sigma(32)) is the key regulator of the heat shock response in Escherichia coli. Many structural and functional properties of the sigma factor are poorly understood. To gain further insight into RpoH regions that are either important or dispensable for its cellular activity, we generated a collection of tetrapeptide insertion variants by a recently established in vitro linker insertion mutagenesis technique. Thirty-one distinct insertions were obtained, and their sigma factor activity was analyzed by using a groE-lacZ reporter fusion in an rpoH-negative background. Our study provides a map of permissive sites which tolerate linker insertions and of functionally important regions at which a linker insertion impairs sigma factor activity. Selected linker insertion mutants will be discussed in the light of known sigma factor properties and in relation to a modeled structure of an RpoH fragment containing region 2.

  15. Structure-function studies of nucleocytoplasmic transport of retroviral genomic RNA by mRNA export factor TAP

    PubMed Central

    Teplova, Marianna; Wohlbold, Lara; Khin, Nyan W.; Izaurralde, Elisa; Patel, Dinshaw J.

    2011-01-01

    Messenger RNA 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 mediate 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 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 nuclear export of viral genomic RNAs, and more generally, provide insights on cargo RNA recognition by mRNA export receptors. PMID:21822283

  16. 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.

  17. Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.

    PubMed

    Huet, Tiphaine; Maehr, Hubert; Lee, Hong Jin; Uskokovic, Milan R; Suh, Nanjoo; Moras, Dino; Rochel, Natacha

    2011-01-01

    Derivatives of vitamin D(3) containing a second side-chain emanating at C-20 are known as gemini and act as vitamin D receptor agonists. Recently, two of these, namely Gemini-0072 and the epimeric Gemini-0097, were selected for further studies in view of their high biological activities and lack of hypercalcemic effects. We now show that the two analogs recruit coactivator SRC-1 better than the parental gemini and act as VDR superagonists. The crystal structures of complexes of zVDR with Gemini-0072 and Gemini-0097 indicate that these ligands induce an extra cavity within the ligand-binding pocket similar to gemini and that their superagonistic activity is due to an increased stabilization of helix H12.

  18. Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme.

    PubMed

    Arcanjo, Daniel D R; Vasconcelos, Andreanne G; Nascimento, Lucas A; Mafud, Ana Carolina; Plácido, Alexandra; Alves, Michel M M; Delerue-Matos, Cristina; Bemquerer, Marcelo P; Vale, Nuno; Gomes, Paula; Oliveira, Eduardo B; Lima, Francisco C A; Mascarenhas, Yvonne P; Carvalho, Fernando Aécio A; Simonsen, Ulf; Ramos, Ricardo M; Leite, José Roberto S A

    2017-10-20

    The vasoactive proline-rich oligopeptide termed BPP-BrachyNH2 (H-WPPPKVSP-NH2) induces in vitro inhibitory activity of angiotensin I-converting enzyme (ACE) in rat blood serum. In the present study, the removal of N-terminal tryptophan or C-terminal proline from BPP-BrachyNH2 was investigated in order to predict which structural components are important or required for interaction with ACE. Furthermore, the toxicological profile was assessed by in silico prediction and in vitro MTT assay. Two BPP-BrachyNH2 analogues (des-Trp(1)-BPP-BrachyNH2 and des-Pro(8)-BPP-BrachyNH2) were synthesized, and in vitro and in silico ACE inhibitory activity and toxicological profile were assessed. The des-Trp(1)-BPP-BrachyNH2 and des-Pro(8)-BPP-BrachyNH2 were respectively 3.2- and 29.5-fold less active than the BPP-BrachyNH2-induced ACE inhibitory activity. Molecular Dynamic and Molecular Mechanics Poisson-Boltzmann Surface Area simulations (MM-PBSA) demonstrated that the ACE/BBP-BrachyNH2 complex showed lower binding and van der Wall energies than the ACE/des-Pro(8)-BPP-BrachyNH2 complex, therefore having better stability. The removal of the N-terminal tryptophan increased the in silico predicted toxicological effects and cytotoxicity when compared with BPP-BrachyNH2 or des-Pro(8)-BPP-BrachyNH2. Otherwise, des-Pro(8)-BPP-BrachyNH2 was 190-fold less cytotoxic than BPP-BrachyNH2. Thus, the removal of C-terminal proline residue was able to markedly decrease both the BPP-BrachyNH2-induced ACE inhibitory and cytotoxic effects assessed by in vitro and in silico approaches. In conclusion, the aminoacid sequence of BPP-BrachyNH2 is essential for its ACE inhibitory activity and associated with an acceptable toxicological profile. The perspective of the interactions of BPP-BrachyNH2 with ACE found in the present study can be used for development of drugs with differential therapeutic profile than current ACE inhibitors. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  19. 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. © 2016 Society of Chemical Industry.

  20. 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.

  1. Bactericidal activity identified in 2S Albumin from sesame seeds and in silico studies of structure-function relations.

    PubMed

    Maria-Neto, Simone; Honorato, Rodrigo V; Costa, Fábio T; Almeida, Renato G; Amaro, Daniel S; Oliveira, José T A; Vasconcelos, Ilka M; Franco, Octávio L

    2011-06-01

    Pathogenic bacteria constitute an important cause of hospital-acquired infections. However, the misuse of available bactericidal agents has led to the appearance of antibiotic-resistant strains. Thus, efforts to seek new antimicrobials with different action mechanisms would have an enormous impact. Here, a novel antimicrobial protein (SiAMP2) belonging to the 2S albumin family was isolated from Sesamum indicum kernels and evaluated against several bacteria and fungi. Furthermore, in silico analysis was conducted in order to identify conserved residues through other 2S albumin antimicrobial proteins (2S-AMPs). SiAMP2 specifically inhibited Klebsiella sp. Specific regions in the molecule surface where cationic (RR/RRRK) and hydrophobic (MEYWPR) residues are exposed and conserved were proposed as being involved in antimicrobial activity. This study reinforces the hypothesis that plant storage proteins might also play as pathogen protection providing an insight into the mechanism of action for this novel 2S-AMP and evolutionary relations between antimicrobial activity and 2S albumins.

  2. Synthesis and structure-function study about tenecin 1, an antibacterial protein from larvae of Tenebrio molitor.

    PubMed

    Lee, K H; Hong, S Y; Oh, J E

    1998-11-13

    Tenecin 1, an inducible antibacterial protein secreted in the larvae of Tenebrio molitor, has a long N-terminal loop and common structural feature of insect defensin family corresponding to cysteine stabilized alpha/beta motif. To study the function of the N-terminal loop and disulfide bridges, N-terminal loop deleted tenecin 1, reduced tenecin 1 and tenecin 1 were chemically synthesized and their activities were measured. N-terminal loop deleted tenecin and reduced tenecin 1 did not show antibacterial activity. Circular dichroism (CD) spectroscopy data revealed that the alpha-helical content of tenecin 1 and the other proteins increased in the presence of 50% (v/v) trifluoroethanol (TFE) and the alpha-helical content of tenecin 1 was much higher than that of the other proteins in buffer with or without 50% (v/v) TFE. These results suggest that disulfide bridges are necessary for the activity structure and the N-terminal loop plays an important role in the increase of alpha-helix in the membrane mimetic environment and the activity.

  3. 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.

  4. Structure-function relationship of the plant photosynthetic pigment-protein complex LHCII studied with molecular spectroscopy techniques.

    PubMed

    Gruszecki, Wieslaw I

    2013-01-01

    LHCII, the largest plant photosynthetic pigment-protein complex of photosystem II, is a most abundant membrane protein in living organisms and comprises approximately half of the pool of chlorophyll molecules in the biosphere. The principal role of this pigment-protein complex is to collect sunlight quanta and transfer electronic excitations toward the reaction centers, where the primary photosynthetic electric charge separation reactions take place. The LHCII protein, as a major protein component of the photosynthetic membranes, modulates also the structural and dynamic properties of the lipid phase of the membranes. According to the recent concepts, one of the physiological roles of LHCII is also a protection of the photosynthetic apparatus against oxidative damage caused by illumination with high intensity light. Detailed examination of all those physiological functions of LHCII, in relation to the complex structure, was possible owing to the application of several molecular spectroscopy techniques. Some examples of such studies are presented in this chapter. The examples of application of steady-state and time-resolved fluorescence spectroscopy, Fourier-transform infrared absorption spectroscopy, and resonance Raman scattering spectroscopy are presented and discussed.

  5. Structure-function studies on bacteriorhodopsin. IX. Substitutions of tryptophan residues affect protein-retinal interactions in bacteriorhodopsin

    SciTech Connect

    Mogi, T.; Marti, T.; Khorana, H.G. )

    1989-08-25

    Bacteriorhodopsin contains 8 tryptophan residues distributed across the membrane-embedded helices. To study their possible functions, we have replaced them one at a time by phenylalanine; in addition, Trp-137 and -138 have been replaced by cysteine. The mutants were prepared by cassette mutagenesis of the synthetic bacterio-opsin gene, expression and purification of the mutant apoproteins, renaturation, and chromophore regeneration. The replacement of Trp-10, Trp-12 (helix A), Trp-80 (helix C), and Trp-138 (helix E) by phenylalanine and of Trp-137 and Trp-138 by cysteine did not significantly alter the absorption spectra or affect their proton pumping. However, substitution of the remaining tryptophans by phenylalanine had the following effects. (1) Substitution of Trp-86 (helix C) and Trp-137 gave chromophores blue-shifted by 20 nm and resulted in reduced proton pumping to about 30%. (2) As also reported previously, substitution of Trp-182 and Trp-189 (helix F) caused large blue shifts (70 and 40 nm, respectively) in the chromophore and affected proton pumping. (3) The substitution of Trp-86 and Trp-182 by phenylalanine conferred acid instability on these mutants. The spectral shifts indicate that Trp-86, Trp-182, Trp-189, and possibly Trp-137 interact with retinal. It is proposed that these tryptophans, probably along with Tyr-57 (helix B) and Tyr-185 (helix F), form a retinal binding pocket. We discuss the role of tryptophan residues that are conserved in bacteriorhodopsin, halorhodopsin, and the related family of opsin proteins.

  6. Structure-function correlations in Retinitis Pigmentosa patients with partially preserved vision: a voxel-based morphometry study.

    PubMed

    Rita Machado, Ana; Carvalho Pereira, Andreia; Ferreira, Fábio; Ferreira, Sónia; Quendera, Bruno; Silva, Eduardo; Castelo-Branco, Miguel

    2017-09-12

    Retinitis Pigmentosa is a group of hereditary retinal dystrophy disorders associated with progressive peripheral visual field loss. The impact of this retinal loss in cortical gray matter volume has not been addressed before in Retinitis Pigmentosa patients with low vision. Voxel-based morphometry was applied to study whole brain gray matter volume changes in 27 Retinitis Pigmentosa patients with partially preserved vision and 38 age- and gender-matched normally sighted controls to determine whether peripheral visual loss can lead to changes in gray matter volume. We found significant reductions in gray matter volume that were restricted to the occipital cortex of patients. The anteromedial pattern of reduced gray matter volume in visual primary and association cortices was significantly correlated with the extent of the peripheral visual field deficit in this cohort. Moreover, this pattern was found to be associated with the extent of visual field loss. In summary, we found specific visual cortical gray matter loss in Retinitis Pigmentosa patients associated with their visual function profile. The spatial pattern of gray matter loss is consistent with disuse-driven neuronal atrophy which may have clinical implications for disease management, including prosthetic restoration strategies.

  7. Foam fractionation as a tool to study the air-water interface structure-function relationship of wheat gluten hydrolysates.

    PubMed

    Wouters, Arno G B; Rombouts, Ine; Schoebrechts, Nele; Fierens, Ellen; Brijs, Kristof; Blecker, Christophe; Delcour, Jan A

    2017-03-01

    Enzymatic hydrolysis of wheat gluten protein improves its solubility and produces hydrolysates with foaming properties which may find applications in food products. First, we here investigated whether foam-liquid fractionation can concentrate wheat gluten peptides with foaming properties. Foam and liquid fractions had high and very low foam stability (FS), respectively. In addition, foam fractions were able to decrease surface tension more pronouncedly than un-fractionated samples and liquid fractions, suggesting they are able to arrange themselves more efficiently at an interface. As a second objective, foam fractionation served as a tool to study the structural properties of the peptides, causing these differences in air-water interfacial behavior. Zeta potential and surface hydrophobicity measurements did not fully explain these differences but suggested that hydrophobic interactions at the air-water interface are more important than electrostatic interactions. RP-HPLC showed a large overlap between foam and liquid fractions. However, a small fraction of very hydrophobic peptides with relatively high average molecular mass was clearly enriched in the foam fraction. These peptides were also more concentrated in un-fractionated DH 2 hydrolysates, which had high FS, than in DH 6 hydrolysates, which had low FS. These peptides most likely play a key role in stabilizing the air-water interface. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Structure-function studies of HNF1A (MODY3) gene mutations in South Indian patients with monogenic diabetes.

    PubMed

    Balamurugan, K; Bjørkhaug, L; Mahajan, S; Kanthimathi, S; Njølstad, P R; Srinivasan, N; Mohan, V; Radha, V

    2016-12-01

    Maturity-onset diabetes of the young (MODY) is a genetically heterogeneous monogenic form of diabetes characterized by onset of diabetes below 25 years of age, autosomal dominant mode of inheritance and primary defect in insulin secretion. Mutations in the gene (HNF1A) encoding transcription factor hepatocyte nuclear factor 1A (HNF-1A) results in one of the most common forms of MODY (MODY3). HNF-1A is mainly enriched in pancreatic β-cells and hepatocytes and important for organ development and normal pancreatic function. We here report on the functional interrogation of eight missense HNF1A mutations associated with MODY3 in South Indian subjects, and the contributing effect of common variant (S487N) within HNF1A. Of the eight mutations, three mutations (p.R171G, p.G245R and p.R263H), in particular, affected HNF-1A function in transfected HeLa cells by reducing both transcriptional activity and nuclear localization, possibly due to disruption of the integrity of the three dimensional structure. The common variant p.S487N contributed further to the loss-of-function of p.R271Q (p.R271Q+p.S487N double mutant), in vitro, on both activity and localization. Our data on the first functional study of HNF1A mutations in South India subjects confers that the defect of the HNF-1A mutant proteins are responsible for MODY3 diabetes in these patients.

  9. Biochemical studies on the structure-function relationship of major drug transporters in the ATP-binding cassette family and solute carrier family.

    PubMed

    Hong, Mei

    2017-07-01

    Human drug transporters often play key roles in determining drug accumulation within cells. Their activities are often directly related to therapeutic efficacy, drug toxicity as well as drug-drug interactions. However, the progress for interpretation of their crystal structures is relatively slow. Hence, conventional biochemical studies together with computer modeling became useful manners to reveal essential structures of these membrane proteins. Over the years, quite a few structure-function relationship information had been obtained for members of the two major transporter families: the ATP-binding cassette family and the solute carrier family. Critical structural features of drug transporters include transmembrane domains, post-translational modification sites and domains for cell surface assembly and protein-protein interactions. Alterations at these important sites may affect protein stability, trafficking to the plasma membrane and/or ability of transporters to interact with substrates. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Catalytic mechanism and substrate selectivity of aldo-keto reductases: insights from structure-function studies of Candida tenuis xylose reductase.

    PubMed

    Kratzer, Regina; Wilson, David K; Nidetzky, Bernd

    2006-09-01

    Aldo-keto reductases (AKRs) constitute a large protein superfamily of mainly NAD(P)-dependent oxidoreductases involved in carbonyl metabolism. Catalysis is promoted by a conserved tetrad of active site residues (Tyr, Lys, Asp and His). Recent results of structure-function relationship studies for xylose reductase (AKR2B5) require an update of the proposed catalytic mechanism. Electrostatic stabilization by the epsilon-NH3+ group of Lys is a key source of catalytic power of xylose reductase. A molecular-level analysis of the substrate binding pocket of xylose reductase provides a case of how a very broadly specific AKR achieves the requisite selectivity for its physiological substrate and could serve as the basis for the design of novel reductases with improved specificities for biocatalytic applications.

  11. Proton structure functions at HERA

    NASA Astrophysics Data System (ADS)

    Abt, Iris

    2014-05-01

    The "proton structure" is a wide field. Discussed are predominantly the precision measurements of the proton structure functions at HERA and some of their implications for the LHC measurements. In addition, a discussion of what a proton structure function represents is provided. Finally, a connection to nuclear physics is attempted. This contribution is an updated reprint of a contribution to "Deep Inelastic Scattering 2012".1

  12. 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.

  13. 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.

  14. Use of a structured functional evaluation process for independent medical evaluations of claimants presenting with disabling mental illness: rationale and design for a multi-center reliability study.

    PubMed

    Bachmann, Monica; de Boer, Wout; Schandelmaier, Stefan; Leibold, Andrea; Marelli, Renato; Jeger, Joerg; Hoffmann-Richter, Ulrike; Mager, Ralph; Schaad, Heinz; Zumbrunn, Thomas; Vogel, Nicole; Bänziger, Oskar; Busse, Jason W; Fischer, Katrin; Kunz, Regina

    2016-07-29

    structured functional approach will show moderate reliability (ICC ≥ 0.6) of psychiatric evaluation of work capacity. Enrollment of actual claimants with mental disorders referred for evaluation by disability/accident insurers will increase the external validity of our findings. Finding moderate levels of reliability, we will continue with a randomized trial to test the reliability of a structured functional approach versus evaluation-as-usual.

  15. In situ studies of solvothermal synthesis of energy materials.

    PubMed

    Jensen, Kirsten M Ø; Tyrsted, Christoffer; Bremholm, Martin; Iversen, Bo B

    2014-06-01

    Solvothermal and hydrothermal synthesis, that is, synthesis taking place in a solvent at elevated temperature and pressure, is a powerful technique for the production of advanced energy materials as it is versatile, cheap, and environmentally friendly. However, the fundamental reaction mechanisms dictating particle formation and growth under solvothermal conditions are not well understood. In order to produce tailor-made materials with specific properties for advanced energy technologies, it is essential to obtain an improved understanding of these processes and, in this context, in situ studies are an important tool as they provide real time information on the reactions taking place. Here, we present a review of the use of powder diffraction and total scattering methods for in situ studies of synthesis taking place under solvothermal and hydrothermal conditions. The experimental setups used for in situ X-ray and neutron studies are presented, and methods of data analysis are described. Special attention is given to the methods used to extract structural information from the data, for example, Rietveld refinement, whole powder pattern modelling and pair distribution function analysis. Examples of in situ studies are presented to illustrate the types of chemical insight that can be obtained.

  16. 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

  17. Altered structure-function relations of semantic processing in youths with high-functioning autism: a combined diffusion and functional MRI study.

    PubMed

    Lo, Yu-Chun; Chou, Tai-Li; Fan, Li-Ying; Gau, Susan Shur-Fen; Chiu, Yen-Nan; Tseng, Wen-Yih Isaac

    2013-12-01

    Deficits in language and communication are among the core symptoms of autism, a common neurodevelopmental disorder with long-term impairment. Despite the striking nature of the autistic language impairment, knowledge about its corresponding alterations in the brain is still evolving. We hypothesized that the dual stream language network is altered in autism, and that this alteration could be revealed by changes in the relationships between microstructural integrity and functional activation. The study recruited 20 right-handed male youths with autism and 20 carefully matched individually, typically developing (TD) youths. Microstructural integrity of the left dorsal and left ventral pathways responsible for language processing and the functional activation of the connected brain regions were investigated by using diffusion spectrum imaging and functional magnetic resonance imaging of a semantic task, respectively. Youths with autism had significantly poorer language function, and lower functional activation in left dorsal and left ventral regions of the language network, compared with TD youths. The TD group showed a significant correlation of the functional activation of the left dorsal region with microstructural integrity of the left ventral pathway, whereas the autism group showed a significant correlation of the functional activation of the left ventral region with microstructural integrity of the left dorsal pathway, and moreover verbal comprehension index was correlated with microstructural integrity of the left ventral pathway. These altered structure-function relationships in autism suggest possible involvement of the dual pathways in supporting deficient semantic processing.

  18. 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.

  19. In situ studies of velocity in fractured crystalline rocks.

    USGS Publications Warehouse

    Moos, D.; Zoback, M.D.

    1983-01-01

    A study of the effects of macroscopic fractures on P and S wave velocities has been conducted in four wells drilled in granitic rock to depths between 0.6 and 1.2km. The effect of macroscopic fractures is to decrease both Vp and Vs and increase Vp/Vs. In wells with a relatively low density of macroscopic fractures, the in situ velocity is similar to that of saturated core samples under confining pressure in the laboratory, and there is a clear correlation between zones with macroscopic fractures and anomalously low velocities. In wells with numerous macroscopic fractures, the in situ velocity is lower than that of intact samples under pressure, and there is a correlation between the rate at which in situ velocity increases with depth and the rate at which the velocity of laboratory samples increases with pressure. Differences in in situ P wave velocity between wells cannot be explained solely by differences in the degree of macroscopic fracturing, thus emphasizing the importance of composition and microcracks on velocity.-from Authors

  20. 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.

  1. 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

  2. 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

    2016-07-12

    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.

  3. 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.

  4. Structure-Function Analysis of Porcine Cytochrome P450 3A29 in the Hydroxylation of T-2 Toxin as Revealed by Docking and Mutagenesis Studies

    PubMed Central

    Wang, Xu; Ma, Hongmin; Pan, Yuanhu; Huang, Lingli; Hao, Haihong; Dai, Menghong; Yuan, Zonghui

    2014-01-01

    T-2 toxin, one of the type A trichothecenes, presents a potential hazard to human and animal health. Our previous work demonstrated that porcine cytochrome P450 3A29 (CYP3A29) played an important role in the hydroxylation of T-2 toxin. To identify amino acids involved in this metabolic process, T-2 toxin was docked into a homology model of CYP3A29 based on a crystal structure of CYP3A4 using AutoDock 4.0. Nine residues of CYP3A29, Arg105, Arg106, Phe108, Ser119, Lys212, Phe213, Phe215, Arg372 and Glu374, which were found within 5 Å around T-2 toxin were subjected to site-directed mutagenesis. In the oxidation of nifedipine, the CLint value of R106A was increased by nearly two-folds compared with the wild-type CYP3A29, while the substrate affinities and CLint values of S119A and K212A were significantly reduced. In the hydroxylation of T-2 toxin, the generation of 3′-OH-T-2 by R105A, S119A and K212A was significantly less than that by the wild-type, whereas R106A slightly increased the generation of 3′-OH-T-2. These results were further confirmed by isothermal titration calorimetry analysis, suggesting that these four residues are important in the hydroxylation of T-2 toxin and Arg105 may be a specific recognition site for the toxin. Our study suggests a possible structure-function relationship of CYP3A29 in the hydroxylation of T-2 toxin, providing with new insights into the mechanism of CYP3A enzymes in the biotransformation of T-2 toxin. PMID:25184434

  5. 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.

  6. A structure-function study of PACAP using conformationally-restricted analogs: identification of PAC1 receptor-selective PACAP agonists

    PubMed Central

    Ramos-Álvarez, Irene; Mantey, Samuel A.; Nakamura, Taichi; Nuche-Berenguer, Bernardo; Moreno, Paola; Moody, Terry W.; Maderdrut, Jerome L.; Coy, David H.; Jensen, Robert T.

    2015-01-01

    Pituitary adenylate-cyclase-activating polypeptide (PACAP) has widespread physiological/pathophysiological actions and there is increased interest for its use therapeutically, especially in the CNS (neuroprotection). Unfortunately, no selective PACAP-analogs exist for PACAP-preferring PAC1-receptors, primarily because of its high sequence identity to VIP and particularly, because of the inability of structure-function studies to separate the pharmacophore of PAC1-R from VPAC1-R, which has high affinity for PACAP and VIP. The present study attempted to develop PAC1-R-selective agonists primarily by making conformationally-restricted PACAP -analogs in positions important for receptor-selectivity/affinity. Forty-six PACAP-related-analogs were synthesized with substitutions in positions 1–4, 14–17, 20–22 ,28,34,38 and receptor-selectivity determined in PAC1-R,VPAC1-R,VPAC2-R-transfected or native cells from binding or cAMP-generation experiments. Fifteen PACAP-analogs had 6–78-fold higher affinities for PAC1-R than VPAC1-R and 13 were agonists. Although binding-affinities correlated significantly with agonist potency, the degree of receptor-spareness varied markedly for the different PACAP-analogs, resulting in selective potencies for activating the PAC1 receptor over the VPAC1 receptor from 0- to-103-fold. In addition, a number of PACAP-analogs were identified that had high selectivity for PAC1-R over VPAC2-R as well as PACAP-analogs that could prove more useful therapeutically because of substitutions known to extend their half-lives (substitutions at potential sites of proteolysis and attachment of long-chain fatty acids). This study provides for the first time a separation of the pharmacophores for PAC1-R and VPAC1-R, resulting in PACAP-related analogs that are PAC1-R-preferring. Some of these analogs, or their modifications, could prove useful as therapeutic agents for various diseases. PMID:25698233

  7. The g2 Structure Function

    SciTech Connect

    Matthias Burkardt

    2009-07-01

    Polarized structure functions at low $Q^2$ have the physical interpretation of (generalized) spin polarizabilities. At high $Q^2$, the polarized parton distribution $g_2(x)$ provides access to quark-gluon correlations in the nucleon. We discuss the interpretation of the $x^2$ moment of $\\bar{g}_2(x)$ as an average transverse force on quarks in deep-inelastic scattering from a transversely polarized target. Qualitative connections with generalized parton distributions are emphasized. The $x^2$ moment of the chirally-odd twist-3 parton distribution $e(x)$ provides information on the dependence of the average transverse force on the transversity of the quark.

  8. Mapping of structure-function relationships in proteins with a panel of monoclonal antibodies. A study on human alpha 2 macroglobulin.

    PubMed

    Van Leuven, F; Marynen, P; Cassiman, J J; Van den Berghe, H

    1988-06-28

    Monoclonal antibody (Mab) F2B2, directed to the receptor-recognition site of human alpha 2 macroglobulin (alpha 2M), has been instrumental in the characterization of that site and in the isolation of the receptor-binding domain. We have now prepared a panel of Mab to study the structure-function relationships in alpha 2 M, and in particular the expression of the receptor-recognition site. Reversed dot-blotting was very effective to screen hybridoma supernatant for specificities to either the native or complex form of alpha 2M. Reaction with the isolated 20 kDa receptor-binding domain of alpha 2M and cross-reaction with pregnancy zone protein was detected by the same technique. Eventually, a panel of 45 Mab was constructed consisting of essentially five types of specificities, although in fact no two Mab reacted with complete identity in all assays. In addition to the assays already mentioned, the Mab were tested for interference with binding of alpha 2M-trypsin to the cellular receptor, for competition with F2B2 for alpha 2M-trypsin and for inhibition of trypsin by alpha 2M. Finally, Western blotting was used as a first approximate mapping of the epitope relative to the internal thiolesters by exploiting the heat-induced fragmentation of alpha 2M at this site. The five categories of Mab thus detected were: (i) five Mab that react with native alpha 2M and not with alpha 2M trypsin; (ii) 18 Mab that react with both native alpha 2M and with alpha 2M-trypsin; (iii) 12 Mab, including F2B2 and F12A3, that react with the receptor-binding domain, neo-antigenically expressed on alpha 2M-trypsin, (iv)O six Mab that are also specific for alpha 2M-trypsin but map outside the receptor-binding domain; (v) three Mab that define hidden determinants, not expressed on undenatured alpha 2M. For completeness, the panel includes the Mab obtained against pregnancy zone protein.

  9. Longitudinal Structure Function F L of Proton from Regge Like Behaviour of Structure Function at Small-x

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

    The evolutions of longitudinal structure function F L from quantum chromodynamics (QCD) evolution equation in next-to-leading order at small-x is presented using the Regge like behaviour of the structure function. The proposed simple analytical expression for F L structure function provides the t- and x-evolution equations to study the behaviour of F L structure function at small-x. The calculated results are compared with the data of H1, ZEUS collaborations and results of Block model, Donnachie-Landshoff model. Our calculated results can be described within the framework of perturbative QCD.

  10. In situ STM studies of polycrystalline platinum electrodes

    NASA Astrophysics Data System (ADS)

    Szklarczyk, Marek; Bockris, John O'M.

    1991-01-01

    In situ scanning tunneling microscopy (STM) was applied in a 10 -2M NaClO 4 solution to study topographical changes of a platinum electrode surface due to its oxidation and reduction. Surface morphology depends on the electrode potential. There are two stages in surface reduction: the fast electrochemical charge transfer and the slow crystallographic reconstruction. Reconstruction during surface reduction tends to proceed in the direction of the topography obtained during the annealing process. Methods of avoiding Faradaic current flowing through the STM tip are discussed in detail.

  11. Calcite Dissolution: An in situ Study in the Panama Basin.

    PubMed

    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.

  12. 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.

  13. Structure Functions at Low Q^2: Target Mass Corrections

    SciTech Connect

    Wally Melnitchouk

    2007-05-30

    We discuss recent developments in the study of structure functions at low Q^2, focusing in particular on the issue of target mass corrections (TMC) to nucleon structure functions. We summarize the standard TMC implementation, and contrast this with a new formulation which has the correct kinematic threshold behavior at finite Q^2 in the x -> 1 limit.

  14. In situ TEM studies of carbon and gold nanostructures

    NASA Astrophysics Data System (ADS)

    Casillas Garcia, Gilberto

    Properties of matter change as structures go down in size to the nanoscale, creating new possibilities for creating new functional materials with better properties than the bulk. In situ TEM techniques were used to probe the properties of two different materials: atomic carbon chains and gold nanoparticles. Carbon chains were synthesized by in situ TEM electron beam irradiation from few-layers-graphene (FLG) flakes. Several chains up to 5 nm long were observed. Aberration corrected TEM confirmed the dimerization of the linear chain as predicted by Peierls. Moreover, it was observed that two linear carbon chains can cross-bond every 9 atoms, and it was confirmed by DFT calculations. Five-fold nanoparticles are not supposed to be stable beyond 5 nm size. Here, decahedra with high index facets in the order of 300 nm were studied by TEM. It was found that the high index facets were only stable by adding a capping agent, otherwise, smooth edges were observed. In this case, a (5x1) hexagonal surface reconstruction was observed on the {001} surfaces, with the hexagonal strings along a [110] and a [410] direction. Additionally, mechanical properties of gold nanoparticles, with and without twin boundaries, under 100 nm were measured by in situ TEM compression experiments. All of the nanoparticles presented yield strengths in the order of GPa. Multi twinned nanoparticles were found to be more malleable, reaching real compressing strains of 100 %, while the single crystal nanoparticle presented less plastic flow. Molecular dynamics simulations revealed that the twin boundaries contribute to the malleability of the nanoparticles, at the same time it provides a mechanism to stop dislocations, hence, strain hardening the nanoparticle at later stages of compression. Finally, the behavior of a single grain boundary was studied by in situ TEM manipulation of nanoparticles. A liquid-like behavior of a grain boundary is observed after two 40 nm gold nanoparticles are brought to

  15. In situ studies and modeling the fracture of Zircaloy-4

    NASA Astrophysics Data System (ADS)

    Cockeram, B. V.; Chan, K. S.

    2009-09-01

    In situ fracture studies were performed on non-irradiated Zircaloy-4 using tensile specimens and pre-cracked Compact Tension (CT) specimens to clarify the mechanism for fracture initiation in the constrained and non-constrained state. Similar approaches have been taken in the literature to understand the role of hydrides on the fracture of Zircaloy-4, but hydride-free Zircaloy-4 has received little study. Both annealed and beta-treated Zircaloy-4 were tested in the longitudinal, transverse, and short-transverse orientations to study the role of microstructure and orientation. Unstable crack extension is shown to occur under plastic constraint by a process of void nucleation, growth, and coalescence initiating from the Laves phase particles in the microstructure. A micromechanical model is developed for ductile tearing by void growth and coalescence. Excellent agreement between the model and experiments are observed. Aspects of the fracture mechanism and model are discussed.

  16. Structure-function relationship of gonadotropins

    SciTech Connect

    Bellet, D.; Bidart, J.M.

    1989-01-01

    In this book, investigators highlight progress recently made in research on the structure-function relationship of gonadotropins. The contributors provide coverage of major breakthroughs such as the cloning of the ovarian receptor for lutropin and choriogonadotropin, the elucidation of the structure of this receptor, and the first crystallographic studies of human chorionic gonadotropin. The book also describes significant advances in the epitope mapping of gonadotropins, the immunochemical and biochemical study of their structure, the examination of regulatory processes involved in subunit association, and the elucidation of the complex mechanisms responsible for regulation and expression of gonadotropin genes.

  17. In situ ellipsometric study of surface immobilization of flagellar filaments

    NASA Astrophysics Data System (ADS)

    Kurunczi, S.; Németh, A.; Hülber, T.; Kozma, P.; Petrik, P.; Jankovics, H.; Sebestyén, A.; Vonderviszt, F.; Fried, M.; Bársony, I.

    2010-10-01

    Protein filaments composed of thousands of subunits are promising candidates as sensing elements in biosensors. In this work in situ spectroscopic ellipsometry is applied to monitor the surface immobilization of flagellar filaments. This study is the first step towards the development of layers of filamentous receptors for sensor applications. Surface activation is performed using silanization and a subsequent glutaraldehyde crosslinking. Structure of the flagellar filament layers immobilized on activated and non-activated Si wafer substrates is determined using a two-layer effective medium model that accounted for the vertical density distribution of flagellar filaments with lengths of 300-1500 nm bound to the surface. The formation of the first interface layer can be explained by the multipoint covalent attachment of the filaments, while the second layer is mainly composed of tail pinned filaments floating upwards with the free parts. As confirmed by atomic force microscopy, covalent immobilization resulted in an increased surface density compared to absorption.

  18. [Study on drug release of gastrodin ion-activated nasal in situ gel in vitro].

    PubMed

    Cai, Zheng; Hou, Shi-Xiang; Song, Xiang-Rong; Yang, Zhao-Xiang; Zheng, Yu; Zhao, Bin-Bin

    2008-04-01

    To study on the drug release characteristics and mechanism of gastrodin ion-activated nasal in situ gel in vitro. Regularity and mechanism of the drug release of gastrodin nasal in situ gel were studied by using the diffusion cell model and the membrane-less dissolution model, respectively. A novel kinesis diffusion cell model was designed according to the characteristics of release environment of nasal cavity. It was used to investigate the effect of adhesiveness on the release of the in situ gel. Drug release of gastrodin nasal in situ gel followed the one order release model. Erosion rate of the gel was low and not linearly correlated with the release rate. Compared with gastrodin solution, the nasal in situ gel could increase release time and release amount. Gastrodin in the nasal in situ gel is released mainly by diffusion rather than erosion. Release amount of the in situ gel in nasal cavity may be obviously increased because of its adhesiveness.

  19. Intraductal Therapy of Ductal Carcinoma In Situ: A Presurgery Study

    PubMed Central

    Mahoney, M. Ellen; Gordon, Eva J.; Rao, Jian Yu; Jin, Yusheng; Hylton, Nola; Love, Susan M.

    2014-01-01

    Many women with ductal carcinoma in situ (DCIS) are treated with extensive surgery, radiation, and hormone therapy due to the inability to monitor the disease and to determine which cases will progress to invasive cancer. We assessed the safety and feasibility of administering chemotherapy directly into DCIS-containing ducts in 13 women before definitive surgery. The treatment was safe, feasible, and well tolerated, supporting further development of this strategy for management of DCIS. Introduction Ductal carcinoma in situ (DCIS) is a noninvasive breast cancer wherein malignant cells are confined within a ductal lobular unit. Although less than half the cases of DCIS will progress to invasive disease, most women are treated aggressively with surgery, radiation, and/or hormone therapy due to the inability to clinically evaluate the extent and location of the disease. Intraductal therapy, in which a drug is administered directly into the mammary duct through the nipple, is a promising approach for treating DCIS, but the feasibility of instilling drug into a diseased duct has not been established. Patients and Methods Four to 6 weeks before their scheduled surgery, 13 women diagnosed with DCIS were subjected to cannulation of the affected duct. After both the absence of perforation and presence of dye in the duct were confirmed by ductogram, pegylated liposomal doxorubicin was instilled. Histopathologic assessment was performed after surgery to assess the treatment effects. Results Of the 13 women enrolled in the study, 6 had their DCIS duct successfully cannulated without perforation and instilled with the drug. The treatment was well tolerated, and no serious adverse events have been reported. Biomarker studies indicated a general decrease in Ki-67 levels but an increase in annexin-1 and 8-hydroxydeoxyguanosine in the lumen of DCIS-containing ducts, which suggests a local response to pegylated liposomal doxorubicin treatment. Conclusions Intraductal therapy offers

  20. 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.

  1. 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.

  2. Protease-activated receptor-2 (PAR-2): structure-function study of receptor activation by diverse peptides related to tethered-ligand epitopes.

    PubMed

    Maryanoff, B E; Santulli, R J; McComsey, D F; Hoekstra, W J; Hoey, K; Smith, C E; Addo, M; Darrow, A L; Andrade-Gordon, P

    2001-02-15

    Protease-activated receptor-2 (PAR-2) is a tethered-ligand, G-protein-coupled receptor that is activated by proteolytic cleavage or by small peptides derived from its cleaved N-terminal sequence, such as SLIGRL-NH2. To assess specific PAR activity, we developed an immortalized murine PAR-1 (-/-) cell line transfected with either human PAR-2 or PAR-1. A "directed" library of more than 100 PAR agonist peptide analogues was synthesized and evaluated for PAR-2 and PAR-1 activity to establish an in-depth structure-function profile for specific action on PAR-2. The most potent agonist peptides (EC50 = 2-4 microM) had Lys at position 6, Ala at position 4, and pFPhe at position 2; however, these also exhibited potent PAR-1 activity (EC50 = 0.05-0.35 microM). We identified SLIARK-NH2 and SL-Cha-ARL-NH2 as relatively potent, highly selective PAR-2 agonists with EC50 values of 4 microM. Position 1 did not tolerate basic, acidic, or large hydrophobic amino acids. N-Terminal capping by acetyl eliminated PAR-2 activity, although removal of the amino group reduced potency by just 4-fold. At position 2, substitution of Leu by Cha or Phe gave equivalent PAR-2 potency, but this modification also activated PAR-1, whereas Ala, Asp, Lys, or Gln abolished PAR-2 activity; at position 3, Ile and Cha were optimal, although various amino acids were tolerated; at position 4, Ala or Cha increased PAR-2 potency 2-fold, although Cha introduced PAR-1 activity; at position 5, Arg or Lys could be replaced successfully by large hydrophobic amino acids. These results with hexapeptide C-terminal amides that mimic the native PAR-2 ligand indicate structural modes for obtaining optimal PAR-2 activity, which could be useful for the design of PAR-2 antagonists.

  3. Sample environment for in situ synchrotron corrosion studies of materials in extreme environments

    DOE PAGES

    Elbakhshwan, Mohamed S.; Gill, Simerjeet K.; Motta, Arthur T.; ...

    2016-10-25

    A new in situ sample environment has been designed and developed to study the interfacial interactions of nuclear cladding alloys with high temperature steam. The sample environment is particularly optimized for synchrotron X-ray diffraction (XRD) studies for in situ structural analysis. The sample environment is highly corrosion resistant and can be readily adapted for steam environments. The in situ sample environment design complies with G2 ASTM standards for studying corrosion in zirconium and its alloys and offers remote temperature and pressure monitoring during the in situ data collection. The use of the in situ sample environment is exemplified by monitoringmore » the oxidation of metallic zirconium during exposure to steam at 350°C. Finally, the in situ sample environment provides a powerful tool for fundamental understanding of corrosion mechanisms by elucidating the substoichiometric oxide phases formed during early stages of corrosion, which can provide a better understanding the oxidation process.« less

  4. Sample environment for in situ synchrotron corrosion studies of materials in extreme environments

    NASA Astrophysics Data System (ADS)

    Elbakhshwan, Mohamed S.; Gill, Simerjeet K.; Motta, Arthur T.; Weidner, Randy; Anderson, Thomas; Ecker, Lynne E.

    2016-10-01

    A new in situ sample environment has been designed and developed to study the interfacial interactions of nuclear cladding alloys with high temperature steam. The sample environment is particularly optimized for synchrotron X-ray diffraction studies for in situ structural analysis. The sample environment is highly corrosion resistant and can be readily adapted for steam environments. The in situ sample environment design complies with G2 ASTM standards for studying corrosion in zirconium and its alloys and offers remote temperature and pressure monitoring during the in situ data collection. The use of the in situ sample environment is exemplified by monitoring the oxidation of metallic zirconium during exposure to steam at 350 °C. The in situ sample environment provides a powerful tool for fundamental understanding of corrosion mechanisms by elucidating the substoichiometric oxide phases formed during the early stages of corrosion, which can provide a better understanding of the oxidation process.

  5. 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

  6. 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.

  7. Ubiquitin Ligases: Structure, Function, and Regulation.

    PubMed

    Zheng, Ning; Shabek, Nitzan

    2017-06-20

    Ubiquitin E3 ligases control every aspect of eukaryotic biology by promoting protein ubiquitination and degradation. At the end of a three-enzyme cascade, ubiquitin ligases mediate the transfer of ubiquitin from an E2 ubiquitin-conjugating enzyme to specific substrate proteins. Early investigations of E3s of the RING (really interesting new gene) and HECT (homologous to the E6AP carboxyl terminus) types shed light on their enzymatic activities, general architectures, and substrate degron-binding modes. Recent studies have provided deeper mechanistic insights into their catalysis, activation, and regulation. In this review, we summarize the current progress in structure-function studies of ubiquitin ligases as well as exciting new discoveries of novel classes of E3s and diverse substrate recognition mechanisms. Our increased understanding of ubiquitin ligase function and regulation has provided the rationale for developing E3-targeting therapeutics for the treatment of human diseases.

  8. 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

  9. Guanylyl cyclase structure, function and regulation.

    PubMed

    Potter, Lincoln R

    2011-12-01

    Nitric oxide, bicarbonate, natriuretic peptides (ANP, BNP and CNP), guanylins, uroguanylins and guanylyl cyclase activating proteins (GCAPs) activate a family of enzymes variously called guanyl, guanylyl or guanylate cyclases that catalyze the conversion of guanosine triphosphate to cyclic guanosine monophosphate (cGMP) and pyrophosphate. Intracellular cyclic GMP is a second messenger that modulates: platelet aggregation, neurotransmission, sexual arousal, gut peristalsis, blood pressure, long bone growth, intestinal fluid secretion, lipolysis, phototransduction, cardiac hypertrophy and oocyte maturation. This review briefly discusses the discovery of cGMP and guanylyl cyclases, then nitric oxide, nitric oxide synthase and soluble guanylyl cyclase are described in slightly greater detail. Finally, the structure, function, and regulation of the individual mammalian single membrane-spanning guanylyl cyclases GC-A, GC-B, GC-C, GC-D, GC-E, GC-F and GC-G are described in greatest detail as determined by biochemical, cell biological and gene-deletion studies.

  10. 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.

  11. 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).

  12. In Situ Coral Reef Oxygen Metabolism: An Eddy Correlation Study

    PubMed Central

    Long, Matthew H.; Berg, Peter; de Beer, Dirk; Zieman, Joseph C.

    2013-01-01

    Quantitative studies of coral reefs are challenged by the three-dimensional hard structure of reefs and the high spatial variability and temporal dynamics of their metabolism. We used the non-invasive eddy correlation technique to examine respiration and photosynthesis rates, through O2 fluxes, from reef crests and reef slopes in the Florida Keys, USA. We assessed how the photosynthesis and respiration of different reef habitats is controlled by light and hydrodynamics. Numerous fluxes (over a 0.25 h period) were as high as 4500 mmol O2 m−2 d−1, which can only be explained by efficient light utilization by the phototrophic community and the complex canopy structure of the reef, having a many-fold larger surface area than its horizontal projection. Over diel cycles, the reef crest was net autotrophic, whereas on the reef slope oxygen production and respiration were balanced. The autotrophic nature of the shallow reef crests implies that the export of organics is an important source of primary production for the larger area. Net oxygen production on the reef crest was proportional to the light intensity, up to 1750 µmol photons m−2 s−1 and decreased thereafter as respiration was stimulated by high current velocities coincident with peak light levels. Nighttime respiration rates were also stimulated by the current velocity, through enhanced ventilation of the porous framework of the reef. Respiration rates were the highest directly after sunset, and then decreased during the night suggesting that highly labile photosynthates produced during the day fueled early-night respiration. The reef framework was also important to the acquisition of nutrients as the ambient nitrogen stock in the water had sufficient capacity to support these high production rates across the entire reef width. These direct measurements of complex reefs systems yielded high metabolic rates and dynamics that can only be determined through in situ, high temporal resolution measurements

  13. Remedition case studies: Thermal desorption, soil washing, and in situ vitrification

    SciTech Connect

    1995-03-01

    The purpose of this report is to provide case studies of site cleanup projects utilizing thermal desorption, soil washing, and in situ vitrification. This volume contains reports on projects using thermal desorption, including six completed applications at sites contaminated with PCBs, pesticides, or chlorinated aliphatics. Two projects in this volume used soil washing and in situ vitrification technologies.

  14. 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

  15. Oral microemulsions of paclitaxel: in situ and pharmacokinetic studies.

    PubMed

    Nornoo, Adwoa O; Zheng, Haian; Lopes, Luciana B; Johnson-Restrepo, Boris; Kannan, Kurunthachalam; Reed, Rachel

    2009-02-01

    The overall goal of this study was to develop cremophor-free oral microemulsions of paclitaxel (PAC) to enhance its permeability and oral absorption. The mechanism of this enhancement, as well as characteristics of the microemulsions relevant to the increase in permeability and absorption of the low solubility, low permeability PAC was investigated. Phase diagrams were used to determine the macroscopic phase behavior of the microemulsions and to compare the efficiency of different surfactant-oil mixtures to incorporate water. The microemulsion region on the phase diagrams utilizing surfactant-myvacet oil combinations was in decreasing order: lecithin: butanol: myvacet oil (LBM, 48.5%)>centromix CPS: 1-butanol: myvacet oil (CPS, 45.15%)>capmul MCM: polysorbate 80: myvacet oil (CPM, 27.6%)>capryol 90: polysorbate 80: myvacet oil (CP-P80, 23.9%)>capmul: myvacet oil (CM, 20%). Oil-in-water (o/w) microemulsions had larger droplet sizes (687-1010 nm) than the water-in-oil (w/o) microemulsions (272-363 nm) when measured using a Zetasizer nano series particle size analyzer. Utilizing nuclear magnetic resonance spectroscopy (NMR), the self-diffusion coefficient (D) of PAC in CM, LBM and CPM containing 10% of deuterium oxide (D(2)O) was 2.24x10(-11), 1.97x10(-11) and 0.51x10(-11) m(2)/s, respectively. These values indicate the faster molecular mobility of PAC in the two w/o microemulsions (CM and LBM) than the o/w microemulsion--CPM. The in situ permeability of PAC through male CD-IGS rat intestine was 3- and 11-fold higher from LBM and CM, respectively, than that from the control clinical formulation, Taxol (CE, cremophor: ethanol) in a single pass perfusion study. PAC permeability was significantly increased in the presence of the pgp/CYP3A4 inhibitor cyclosporine A (CsA). This enhancement may be attributed to the pgp inhibitory effect of the surfactants, oil and/or the membrane perturbation effect of the surfactants. The oral disposition of PAC in CM, LBM and CPM compared

  16. In situ optical studies of solid-oxide fuel cells.

    PubMed

    Pomfret, Michael B; Owrutsky, Jeffrey C; Walker, Robert A

    2010-01-01

    Thermal imaging and vibrational spectroscopy have become important tools for examining the physical and chemical changes that occur in real time in solid-oxide fuel cells (SOFCs). Imaging techniques can resolve temperature differences as fine as 0.1 degrees C across a SOFC electrode at temperatures higher than 600 degrees C. Vibrational spectroscopy can identify molecular species and changes in material phases in operating SOFCs. This review discusses the benefits and challenges associated with directly observing processes that are important to SOFC performance and durability. In situ optical methods can provide direct insight into reaction mechanisms that can be inferred only indirectly from electrochemical measurements such as voltammetry and electrochemical impedance spectroscopy and from kinetic models and postmortem, ex situ examinations of SOFC components. Particular attention is devoted to recent advances that, hopefully, will spur the development of new generations of efficient, versatile energy-producing devices.

  17. In Situ Optical Studies of Solid-Oxide Fuel Cells

    NASA Astrophysics Data System (ADS)

    Pomfret, Michael B.; Owrutsky, Jeffrey C.; Walker, Robert A.

    2010-07-01

    Thermal imaging and vibrational spectroscopy have become important tools for examining the physical and chemical changes that occur in real time in solid-oxide fuel cells (SOFCs). Imaging techniques can resolve temperature differences as fine as 0.1°C across a SOFC electrode at temperatures higher than 600°C. Vibrational spectroscopy can identify molecular species and changes in material phases in operating SOFCs. This review discusses the benefits and challenges associated with directly observing processes that are important to SOFC performance and durability. In situ optical methods can provide direct insight into reaction mechanisms that can be inferred only indirectly from electrochemical measurements such as voltammetry and electrochemical impedance spectroscopy and from kinetic models and postmortem, ex situ examinations of SOFC components. Particular attention is devoted to recent advances that, hopefully, will spur the development of new generations of efficient, versatile energy-producing devices.

  18. Synthesis of nitrate sodalite: An in situ scanning calorimetric study

    NASA Astrophysics Data System (ADS)

    Liu, Qingyuan; Navrotsky, Alexandra

    2007-04-01

    The formation of nitrate sodalite, an important constituent of the resilient heels at DOE nuclear waste storage sites, was closely followed by oven synthesis, in situ calorimetry as a function of heating rate from 0.01 to 0.1 °C/min and X-ray diffraction. A transition sequence of amorphous-zeolite A-sodalite-cancrinite was confirmed. For in situ synthesis calorimetry, the heat flow peaks related to zeolite A formation are shifted to higher temperatures as heating rate increases. Although the end products are mostly nitrate sodalite, no calorimetric signals associated with zeolite A to sodalite conversion are detected. This suggests that the enthalpy of formation of zeolite A and sodalite are very similar and the zeolite A to sodalite conversion enthalpy is small. This conclusion is in accord with previous measurements by oxide melt solution calorimetry.

  19. Field studies of in-situ soil washing

    SciTech Connect

    Nash, J.H.

    1987-12-01

    The EPA and US Air Force conducted a research test program to demonstrate the removal of hydrocarbons and chlorinated hydrocarbons from a sandy soil by in situ soil washing using surfactants. Contaminated soil from the fire-training area of Volk Air National Guard Base, WI, was first taken to a laboratory for characterization. At the laboratory, the soil was recompacted into glass columns creating a simulated in-situ environment. Under gravity flow, 12 pore volumes of aqueous surfactant solutions were passed through each of the columns. Gas chromatograph (GC) analyses were used on the washing effluent and soil to determine removal efficiency (RE). The results of these tests were highly encouraging. Treated effluent was discharged directly to the on-base aerobic-treatment lagoons.

  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. 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.

  2. 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

  3. Dehydrogenation and Sintering of TiH2: An In Situ Study

    NASA Astrophysics Data System (ADS)

    Chen, Gang; Liss, Klaus D.; Auchterlonie, Graeme; Tang, Huiping; Cao, Peng

    2017-06-01

    This first-ever study investigated dehydrogenation and microstructural evolution of TiH2 during sintering under vacuum using in situ neutron diffraction, in situ transmission electron microscopy, and ex situ neutron tomography. The densification behavior, microstructure, hydrogen concentration, and in situ phase transformation were reported. The shrinkage, weight loss percentage, and densification of the TiH2 powder compact monotonically increase with sintering temperature, while the open porosity behaves differently; porosity first increases at the initial sintering stage and then decreases during further sintering. The in situ phase transformation observations reveal that dehydrogenation starts from the outer area of either a particle or a powder compact and progressively carries forward into the interior of the particle or the compact. A shrinking core model was proposed to elucidate the dehydrogenation process for a single particle and a powder compact.

  4. Dehydrogenation and Sintering of TiH2: An In Situ Study

    NASA Astrophysics Data System (ADS)

    Chen, Gang; Liss, Klaus D.; Auchterlonie, Graeme; Tang, Huiping; Cao, Peng

    2017-03-01

    This first-ever study investigated dehydrogenation and microstructural evolution of TiH2 during sintering under vacuum using in situ neutron diffraction, in situ transmission electron microscopy, and ex situ neutron tomography. The densification behavior, microstructure, hydrogen concentration, and in situ phase transformation were reported. The shrinkage, weight loss percentage, and densification of the TiH2 powder compact monotonically increase with sintering temperature, while the open porosity behaves differently; porosity first increases at the initial sintering stage and then decreases during further sintering. The in situ phase transformation observations reveal that dehydrogenation starts from the outer area of either a particle or a powder compact and progressively carries forward into the interior of the particle or the compact. A shrinking core model was proposed to elucidate the dehydrogenation process for a single particle and a powder compact.

  5. Next-order structure-function equations

    NASA Astrophysics Data System (ADS)

    Hill, Reginald J.; Boratav, Olus N.

    2001-01-01

    Kolmogorov's equation [Dokl. Akad. Nauk SSSR 32, 16 (1941)] relates the two-point second- and third-order velocity structure functions and the energy dissipation rate. The analogous next higher-order two-point equation relates the third- and fourth-order velocity structure functions and the structure function of the product of pressure-gradient difference and two factors of velocity difference, denoted Tijk. The equation is simplified on the basis of local isotropy. Laboratory and numerical simulation data are used to evaluate and compare terms in the equation, examine the balance of the equation, and evaluate components of Tijk. Atmospheric surface-layer data are used to evaluate Tijk in the inertial range. Combined with the random sweeping hypothesis, the equation relates components of the fourth-order velocity structure function. Data show the resultant error of this application of random sweeping. The next-order equation constrains the relationships that have been suggested among components of the fourth-order velocity structure function. The pressure structure function, pressure-gradient correlation, and mean-squared pressure gradient are related to Tijk. Inertial range formulas are discussed.

  6. Combining Exergame Training with Omega-3 Fatty Acid Supplementation: Protocol for a Randomized Controlled Study Assessing the Effect on Neuronal Structure/Function in the Elderly Brain.

    PubMed

    Schättin, Alexandra; de Bruin, Eling D

    2016-01-01

    A common problem in the older population is the risk of falling and related injury, immobility, and reduced survival. Age-related neuronal changes, e.g., decline in gray-and white-matter, affect neuronal, cognitive, and motor functioning. The improvement of these factors might decrease fall events in elderly. Studies showed that administration of video game-based physical exercise, a so-called exergame, or omega-3 fatty acid (FA) may improve motor and/or cognitive functioning through neuronal changes in the brain of older adults. The aim of this study is to assess the effects of a combination of exergame training with omega-3 FA supplementation on the elderly brain. We hypothesize that an intervention using a combination approach differently affects on the neuronal structure and function of the elderly's brain as compared to the sole administration of exergame training. The study is a parallel, double-blinded, randomized controlled trial lasting 26 weeks. Sixty autonomous living, non-smoking, and right-handed healthy older (>65 years) adults who live independently or in a senior residency are included, randomized, and allocated to one of two study groups. The experimental group receives a daily amount of 13.5 ml fish oil (including 2.9 g of omega-3 FA), whereas the control group receives a daily amount of 13.5 ml olive oil for 26 weeks. After 16 weeks, both groups start with an exergame training program three times per week. Measurements are performed on three time-points by treatment blinded investigators: pre-intervention measurements, blood sample after 16 week, and post-intervention measurements. The main outcomes are motor evoked potentials of the right M. tibialis anterior (transcranial magnetic stimulation) and response-related potentials (electroencephalography) during a cognitive test. For secondary outcomes, reaction time during cognitive tests and spatio-temporal parameters during gait performance are measured. Statistics will include effect sizes and a

  7. Combining Exergame Training with Omega-3 Fatty Acid Supplementation: Protocol for a Randomized Controlled Study Assessing the Effect on Neuronal Structure/Function in the Elderly Brain

    PubMed Central

    Schättin, Alexandra; de Bruin, Eling D.

    2016-01-01

    A common problem in the older population is the risk of falling and related injury, immobility, and reduced survival. Age-related neuronal changes, e.g., decline in gray-and white-matter, affect neuronal, cognitive, and motor functioning. The improvement of these factors might decrease fall events in elderly. Studies showed that administration of video game-based physical exercise, a so-called exergame, or omega-3 fatty acid (FA) may improve motor and/or cognitive functioning through neuronal changes in the brain of older adults. The aim of this study is to assess the effects of a combination of exergame training with omega-3 FA supplementation on the elderly brain. We hypothesize that an intervention using a combination approach differently affects on the neuronal structure and function of the elderly's brain as compared to the sole administration of exergame training. The study is a parallel, double-blinded, randomized controlled trial lasting 26 weeks. Sixty autonomous living, non-smoking, and right-handed healthy older (>65 years) adults who live independently or in a senior residency are included, randomized, and allocated to one of two study groups. The experimental group receives a daily amount of 13.5 ml fish oil (including 2.9 g of omega-3 FA), whereas the control group receives a daily amount of 13.5 ml olive oil for 26 weeks. After 16 weeks, both groups start with an exergame training program three times per week. Measurements are performed on three time-points by treatment blinded investigators: pre-intervention measurements, blood sample after 16 week, and post-intervention measurements. The main outcomes are motor evoked potentials of the right M. tibialis anterior (transcranial magnetic stimulation) and response-related potentials (electroencephalography) during a cognitive test. For secondary outcomes, reaction time during cognitive tests and spatio-temporal parameters during gait performance are measured. Statistics will include effect sizes and a

  8. Structure-function relationships in the context of reinforcement-related learning: a combined diffusion tensor imaging-functional magnetic resonance imaging study.

    PubMed

    Koch, K; Wagner, G; Dahnke, R; Schachtzabel, C; Güllmar, D; Reichenbach, J R; Schlösser, R G M

    2010-06-16

    In the context of probabilistic learning, previous functional magnetic resonance imaging studies have shown decreasing uncertainty accompanying decreasing neuronal activation in task-relevant networks. Moreover, initial evidence points to a relationship between white matter structure and cognitive performance. Little is known, however, about the structural correlates underlying individual differences in activation and performance in the context of probabilistic learning. This combined functional magnetic resonance imaging-diffusion tensor imaging study aimed at investigating the individual ability to reduce processing resources with decreasing uncertainty in direct relation to individual characteristics in white matter brain structure. Results showed that more successful learners, as compared with less successful learners, exhibited stronger activation decreases with decreasing uncertainty. An increased mean and axial diffusivity in, among others, the inferior and superior longitudinal fasciculus, the posterior part of the cingulum bundle, and the corpus callosum were detectable in less successful learners compared with more successful learners. Most importantly, there was a negative correlation between uncertainty-related activation and diffusivity in a fronto-parieto-striatal network in less successful learners only, indicating a direct relation between diffusivity and the ability to reduce processing resources with decreasing uncertainty. These findings indicate that interindividual variations in white matter characteristics within the normal population might be linked to neuronal activation and critically influence individual learning performance.

  9. 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.

  10. Proton structure functions at small x

    DOE PAGES

    Hentschinski, Martin

    2015-11-03

    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

  11. Proton structure functions at small x

    SciTech Connect

    Hentschinski, Martin

    2015-11-03

    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

  12. Structure-Function Studies of Naphthalene, Phenanthrene, Biphenyl, and Their Derivatives in Interaction with and Oxidation by Cytochromes P450 2A13 and 2A6.

    PubMed

    Shimada, Tsutomu; Takenaka, Shigeo; Kakimoto, Kensaku; Murayama, Norie; Lim, Young-Ran; Kim, Donghak; Foroozesh, Maryam K; Yamazaki, Hiroshi; Guengerich, F Peter; Komori, Masayuki

    2016-06-20

    Naphthalene, phenanthrene, biphenyl, and their derivatives having different ethynyl, propynyl, butynyl, and propargyl ether substitutions were examined for their interaction with and oxidation by cytochromes P450 (P450) 2A13 and 2A6. Spectral interaction studies suggested that most of these chemicals interacted with P450 2A13 to induce Type I binding spectra more readily than with P450 2A6. Among the various substituted derivatives examined, 2-ethynylnaphthalene, 2-naphthalene propargyl ether, 3-ethynylphenanthrene, and 4-biphenyl propargyl ether had larger ΔAmax/Ks values in inducing Type I binding spectra with P450 2A13 than their parent compounds. P450 2A13 was found to oxidize naphthalene, phenanthrene, and biphenyl to 1-naphthol, 9-hydroxyphenanthrene, and 2- and/or 4-hydroxybiphenyl, respectively, at much higher rates than P450 2A6. Other human P450 enzymes including P450s 1A1, 1A2, 1B1, 2C9, and 3A4 had lower rates of oxidation of naphthalene, phenanthrene, and biphenyl than P450s 2A13 and 2A6. Those alkynylated derivatives that strongly induced Type I binding spectra with P450s 2A13 and 2A6 were extensively oxidized by these enzymes upon analysis with HPLC. Molecular docking studies supported the hypothesis that ligand-interaction energies (U values) obtained with reported crystal structures of P450 2A13 and 2A6 bound to 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, indole, pilocarpine, nicotine, and coumarin are of use in understanding the basis of possible molecular interactions of these xenobiotic chemicals with the active sites of P450 2A13 and 2A6 enzymes. In fact, the ligand-interaction energies with P450 2A13 4EJG bound to these chemicals were found to relate to their induction of Type I binding spectra.

  13. 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.

  14. In Situ Oxidation of Liquid Trichloroethylene by Permanganate Solutions: Preliminary Results of Column Studies

    SciTech Connect

    Schroth, Martin H.; Oostrom, Mart; Wietsma, Thomas W.; Istok, Jonathan D.; H.J. Morel-Seytoux

    2000-01-11

    In situ oxidation of liquid trichloroethylene by permanganate solutions: Preliminary results of column studies. In: Proceedings of the 19th American Geophysical Union Hydrology Days, H. J. Morel-Seytoux, ed., pp. 411-420. Hydrology Days Pub., Atherton, Ca.

  15. Risk of caries adjacent to different restoration materials: Systematic review of in situ studies.

    PubMed

    Askar, Haitham; Tu, Yu-Kang; Paris, Sebastian; Yeh, Yi-Chun; Schwendicke, Falk

    2017-01-01

    The risk of 'caries adjacent to restorations' (CAR) might depend on the used restorative materials. In situ studies are often used to compare the risk of caries adjacent to different materials. We aimed to review in situ studies to evaluate how different materials contribute to risk of CAR. We included in situ controlled trials comparing directly placed restorative materials, reporting on caries (mineral loss, measured via radiography or micro-hardness) adjacent to these materials. Medline, Embase and Cochrane CENTRAL were systematically searched. Screening and data extraction was performed independently by two authors. Materials were classified according to the used adhesive and restorative materials. Fixed-effects pairwise and frequentistic network meta-analyses were performed STUDY SELECTION: Nine studies (132 patients, 8 materials) were included, yielding inconsistent results. We could not identify underlying reasons, as confounders were only limitedly reported. The resulting material rankings come with great uncertainty, and raise doubts as to the validity and transferability of in situ studies as well as the applicability of their findings. The current body of evidence of in situ studies is insufficient for firm conclusions as to the caries risk adjacent to different materials. The validity and applicability of included studies remain uncertain. While single in situ studies seem to convey consistent and applicable information, the overall body of evidence is inconsistent, limiting the conclusions which can be drawn from it. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Structure-function studies on bacteriorhodopsin. VIII. Substitutions of the membrane-embedded prolines 50, 91, and 186: The effects are determined by the substituting amino acids

    SciTech Connect

    Mogi, T.; Stern, L.J.; Chao, B.H.; Khorana, H.G. )

    1989-08-25

    To study their role in the structure and function of bacteriorhodopsin, three prolines, presumed to be in the membrane-embedded alpha-helices, have been individually replaced as follows: Pro-50 and Pro-91 each by Gly and Ala and Pro-186 by Ala, Gly, and Val. The mutants of Pro-50 and Pro-91 all showed normal chromophore and proton pumping. However, the rates of regeneration of the chromophore in Pro-50----Ala, Pro-91----Ala and ----Gly with all-trans-retinal were about 30-fold slower than that in the wild-type, whereas the chromophore regeneration rate in Pro-50----Gly was 10-fold faster than in the wild-type. While, Pro-186----Ala regenerated the wild-type chromophore, the mutants Pro-186----Val and Pro-186----Gly showed large blue shifts (about 80 nm) in the chromophore regenerated with all-trans-retinal and showed no apparent dark-light adaptation. Pro-186----Gly first regenerated the wild-type chromophore with 13-cis-retinal which was thermally unstable and rapidly converted to the blue-shifted chromophore obtained with all-trans-retinal. High salt concentration restored the wild-type purple chromophore in the Pro-186----Gly mutant. Thus, in this mutant, the protein interconverts between two conformational states. Pro-186----Ala and Pro-186----Gly showed about 65%, whereas Pro-186----Val showed 10-20% of the normal proton pumping.

  17. Structure-function studies of Tityus serrulatus Hypotensin-I (TsHpt-I): A new agonist of B(2) kinin receptor.

    PubMed

    Verano-Braga, Thiago; Figueiredo-Rezende, Flávia; Melo, Marcella N; Lautner, Roberto Q; Gomes, Enéas R M; Mata-Machado, Leonor T; Murari, Antonela; Rocha-Resende, Cibele; Elena de Lima, Maria; Guatimosim, Sílvia; Santos, Robson A S; Pimenta, Adriano M C

    2010-12-15

    In order to better understand the relationship between the primary structure of TsHpt-I - a bradykinin-potentiating peptide (BPP) isolated from the venom of the yellow scorpion Tityus serrulatus, with a non-canonical Lys residue prior to the conservative Pro-Pro doublet - and its cardiovascular effects, a series of ladder peptides were synthesized using the C-terminal portion of TsHpt-I as a template. All synthetic peptides having the Pro-Pro doublet at their C-terminal were able to potentiate the hypotensive effect of bradykinin. Conversely, only those analogues having Lys residue could induce a transient hypotension when intravenously administrated in male rats, indicating that the positive charge located toward the radical of this amino acid residue is crucial for this cardiovascular effect. Differently from all known BPPs, TsHpt-I acts as an agonist of the B(2) receptor and does not inhibit angiotensin-converting enzyme. The capacity of this peptide to activate this subtype of kinin receptor, releasing NO, was also affected by the absence of Lys' side-chain positive charge. Moreover, this study has demonstrated that the minimization of the primary structure of TsHpt-I does not significantly alter the biological effects of this native peptide, which could be of interest for biotechnological purposes. Copyright © 2010 Elsevier Ltd. All rights reserved.

  18. Structure-Function Studies with the Unique Hexameric Form II Ribulose-1,5-bisphosphate Carboxylase/Oxygenase (Rubisco) from Rhodopseudomonas palustris*

    PubMed Central

    Satagopan, Sriram; Chan, Sum; Perry, L. Jeanne; Tabita, F. Robert

    2014-01-01

    The first x-ray crystal structure has been solved for an activated transition-state analog-bound form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco). This enzyme, from Rhodopseudomonas palustris, assembles as a unique hexamer with three pairs of catalytic large subunit homodimers around a central 3-fold symmetry axis. This oligomer arrangement is unique among all known Rubisco structures, including the form II homolog from Rhodospirillum rubrum. The presence of a transition-state analog in the active site locked the activated enzyme in a “closed” conformation and revealed the positions of critical active site residues during catalysis. Functional roles of two form II-specific residues (Ile165 and Met331) near the active site were examined via site-directed mutagenesis. Substitutions at these residues affect function but not the ability of the enzyme to assemble. Random mutagenesis and suppressor selection in a Rubisco deletion strain of Rhodobacter capsulatus identified a residue in the amino terminus of one subunit (Ala47) that compensated for a negative change near the active site of a neighboring subunit. In addition, substitution of the native carboxyl-terminal sequence with the last few dissimilar residues from the related R. rubrum homolog increased the enzyme's kcat for carboxylation. However, replacement of a longer carboxyl-terminal sequence with termini from either a form III or a form I enzyme, which varied both in length and sequence, resulted in complete loss of function. From these studies, it is evident that a number of subtle interactions near the active site and the carboxyl terminus account for functional differences between the different forms of Rubiscos found in nature. PMID:24942737

  19. Structure-function relationships of the yeast fatty acid synthase: negative-stain, cryo-electron microscopy, and image analysis studies of the end views of the structure.

    PubMed Central

    Stoops, J K; Kolodziej, S J; Schroeter, J P; Bretaudiere, J P; Wakil, S J

    1992-01-01

    The yeast fatty acid synthase (M(r) = 2.5 x 10(6)) is organized in an alpha 6 beta 6 complex. In these studies, the synthase structure has been examined by negative-stain and cryo-electron microscopy. Side and end views of the structure indicate that the molecule, shaped similar to a prolate ellipsoid, has a high-density band of protein bisecting its major axis. Stained and frozen-hydrated average images of the end views show an excellent concordance and a hexagonal ring having three each alternating egg- and kidney-shaped features with low-protein-density protrusions extending outward from the egg-shaped features. Images also show that the barrel-like structure is not hollow but has a Y-shaped central core, which appears to make contact with the three egg-shaped features. Numerous side views of the structure give good evidence that the beta subunits have an archlike shape. We propose a model for the synthase that has point-group symmetry 32 and six equivalent sites of fatty acid synthesis. The protomeric unit is alpha 2 beta 2. The ends of each of the two archlike beta subunits interact with opposite sides of the two dichotomously arranged disclike alpha subunits. Three such protomeric units form the ring. We propose that the six fatty acid synthesizing centers are composed of two complementary half-alpha subunits and a beta subunit, an arrangement having all the partial activities of the multifunctional enzyme required for fatty acid synthesis. Images PMID:1631160

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

    PubMed

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

    2015-04-01

    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.

  1. Structural-functional characterization of the cathodic haemoglobin of the conger eel Conger conger: molecular modelling study of an additional phosphate-binding site.

    PubMed Central

    Pellegrini, Mariagiuseppina; Giardina, Bruno; Verde, Cinzia; Carratore, Vito; Olianas, Alessandra; Sollai, Luigi; Sanna, Maria T; Castagnola, Massimo; di Prisco, Guido

    2003-01-01

    The protein sequence data for the alpha- and beta-chains have been deposited in the SWISS-PROT and TrEMBL protein knowledgebase under the accession numbers P83479 and P83478 respectively. The Conger conger (conger eel) haemoglobin (Hb) system is made of three components, one of which, the so-called cathodic Hb, representing approx. 20% of the total pigment, has been purified and characterized from both a structural and functional point of view. Stripped Hb showed a reverse Bohr effect, high oxygen affinity and slightly low cooperativity in the absence of any effector. Addition of saturating GTP strongly influences the pH dependence of the oxygen affinity, since the reverse Bohr effect, observed under stripped conditions, is converted into a small normal Bohr effect. A further investigation of the GTP effect on oxygen affinity, carried out by fitting its titration curve, demonstrated the presence of two independent binding sites. Therefore, on the basis of the amino acid sequence of the alpha- and beta-chains, which have been determined, a computer modelling study has been performed. The data suggest that C. conger cathodic Hb may bind organic phosphates at two distinct binding sites located along the central cavity of the tetramer by hydrogen bonds and/or electrostatic interactions with amino acid residues of both chains, which have been identified. Among these residues, the two Lys-alpha(G6) (where the letter refers to the haemoglobin helix and the number to the amino acid position in the helix) appear to have a key role in the GTP movement from the external binding region to the internal central cavity of the tetrameric molecule. PMID:12646043

  2. 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.

  3. 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.

  4. Crustacean neuropeptides: structures, functions and comparative aspects.

    PubMed

    Keller, R

    1992-05-15

    In this article, an attempt is made to review the presently known, completely identified crustacean neuropeptides with regard to structure, function and distribution. Probably the most important progress has been made in the elucidation of a novel family of large peptides from the X-organ-sinus gland system which includes crustacean hyperglycemic hormone (CHH), putative molt-inhibiting hormone (MIH) and vitellogenesis (= gonad)-inhibiting hormone (VIH). These peptides have so far only been found in crustaceans. Renewed interest in the neurohemal pericardial organs has led to the identification of a number of cardioactive/myotropic neuropeptides, some of them unique to crustaceans. Important contributions have been made by immunocytochemical mapping of peptidergic neurons in the nervous system, which has provided evidence for a multiple role of several neuropeptides as neurohormones on the one hand and as local transmitters or modulators on the other. This has been corroborated by physiological studies. The long-known chromatophore-regulating hormones, red pigment concentrating hormone (RPCH) and pigment-dispending hormone (PDH), have been placed in a broader perspective by the demonstration of an additional role as local neuromodulators. The scope of crustacean neuropeptide research has thus been broadened considerably during the last years.

  5. Sorbitol dehydrogenase: structure, function and ligand design.

    PubMed

    El-Kabbani, O; Darmanin, C; Chung, R P-T

    2004-02-01

    Sorbitol dehydrogenase (SDH), a member of the medium-chain dehydrogenase/reductase protein family and the second enzyme of the polyol pathway of glucose metabolism, converts sorbitol to fructose strictly using NAD(+) as coenzyme. SDH is expressed almost ubiquitously in all mammalian tissues. The enzyme has attracted considerable interest due to its implication in the development of diabetic complications and thus its tertiary structure may facilitate the development of drugs for the treatment of diabetes sufferers. Modelling studies suggest that SDH is structurally homologous to mammalian alcohol dehydrogenase with respect to conserved zinc binding motif and a hydrophobic substrate-binding pocket. Recently, the three-dimensional (3-D) structure of a mammalian SDH was solved, and it was found that while the overall 3-D structures of SDH and alcohol dehydrogenase are similar, the zinc coordination in the active sites of the two enzymes is different. The available structural and biochemical information of SDH are currently being utilized in a structure-based approach to develop drugs for the treatment or prevention of the complications of diabetes. This review provides an overview of the recent advances in the structure, function and drug development fields of sorbitol dehydrogenase.

  6. 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.

  7. In situ Raman cell for high pressure and temperature studies of metal and complex hydrides.

    PubMed

    Domènech-Ferrer, Roger; Ziegs, Frank; Klod, Sabrina; Lindemann, Inge; Voigtländer, Ralf; Dunsch, Lothar; Gutfleisch, Oliver

    2011-04-15

    A novel cell for in situ Raman studies at hydrogen pressures up to 200 bar and at temperatures as high as 400 °C is presented. This device permits in situ monitoring of the formation and decomposition of chemical structures under high pressure via Raman scattering. The performance of the cell under extreme conditions is stable as the design of this device compensates much of the thermal expansion during heating which avoids defocusing of the laser beam. Several complex and metal hydrides were analyzed to demonstrate the advantageous use of this in situ cell. Temperature calibration was performed by monitoring the structural phase transformation and melting point of LiBH(4). The feasibility of the cell in hydrogen atmosphere was confirmed by in situ studies of the decomposition of NaAlH(4) with added TiCl(3) at different hydrogen pressures and the decomposition and rehydrogenation of MgH(2) and LiNH(2).

  8. Leveraging enzyme structure-function relationships for functional inference and experimental design: the structure-function linkage database.

    PubMed

    Pegg, Scott C-H; Brown, Shoshana D; Ojha, Sunil; Seffernick, Jennifer; Meng, Elaine C; Morris, John H; Chang, Patricia J; Huang, Conrad C; Ferrin, Thomas E; Babbitt, Patricia C

    2006-02-28

    The study of mechanistically diverse enzyme superfamilies-collections of enzymes that perform different overall reactions but share both a common fold and a distinct mechanistic step performed by key conserved residues-helps elucidate the structure-function relationships of enzymes. We have developed a resource, the structure-function linkage database (SFLD), to analyze these structure-function relationships. Unique to the SFLD is its hierarchical classification scheme based on linking the specific partial reactions (or other chemical capabilities) that are conserved at the superfamily, subgroup, and family levels with the conserved structural elements that mediate them. We present the results of analyses using the SFLD in correcting misannotations, guiding protein engineering experiments, and elucidating the function of recently solved enzyme structures from the structural genomics initiative. The SFLD is freely accessible at http://sfld.rbvi.ucsf.edu.

  9. 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.

  10. 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…

  11. 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…

  12. 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.

  13. In situ quantitative study of nanoscale triboelectrification and patterning.

    PubMed

    Zhou, Yu Sheng; Liu, Ying; Zhu, Guang; Lin, Zong-Hong; Pan, Caofeng; Jing, Qingshen; Wang, Zhong Lin

    2013-06-12

    By combining contact-mode atomic force microscopy (AFM) and scanning Kevin probe microscopy (SKPM), we demonstrated an in situ method for quantitative characterization of the triboelectrification process at the nanoscale. We systematically characterized the triboelectric charge distribution, multifriction effect on charge transfer, as well as subsequent charge diffusion on the dielectric surface: (i) the SiO2 surface can be either positively or negatively charged through triboelectric process using Si-based AFM probes with and without Pt coating, respectively; (ii) the triboelectric charges accumulated from multifriction and eventually reached to saturated concentrations of (-150 ± 8) μC/m(2) and (105 ± 6) μC/m(2), respectively; (iii) the charge diffusion coefficients on SiO2 surface were measured to be (1.10 ± 0.03) × 10(-15) m(2)/s for the positive charge and (0.19 ± 0.01) × 10(-15) m(2)/s for the negative charges. These quantifications will facilitate a fundamental understanding about the triboelectric and de-electrification process, which is important for designing high performance triboelectric nanogenerators. In addition, we demonstrated a technique for nanopatterning of surface charges without assistance of external electric field, which has a promising potential application for directed self-assembly of charged nanostructures for nanoelectronic devices.

  14. In situ trap parameter studies in CCDs for space applications

    NASA Astrophysics Data System (ADS)

    Hall, David J.; Murray, Neil; Gow, Jason; Wood, Daniel; Holland, Andrew

    2014-07-01

    Charge-Coupled Devices are the detector of choice for the focal planes of many optical and X-ray space telescopes. In recent years, EM-CCDs, SCDs and CMOS sensors have been used, or baselined, for missions in which the detection of X-ray and visible photons are key to the science goals of the mission. When placed in orbit, silicon-based detectors will suffer radiation damage as a consequence of the harsh space radiation environment, creating traps in the silicon. The radiation-induced traps will capture and release signal electrons, effectively "smearing" the image. Without correction, this smearing of the image would have major consequences on the science goals of the missions. Fitting to observed results, through careful planning of observation strategies while the radiation dose received remains low in the early stages of the mission, has previously been used to correct against the radiation damage effects. As the science goals becoming increasingly demanding, however, the correction algorithms require greater accuracy and a more physical approach is required, removing the effects of the radiation damage by modelling the trap capture and release mechanisms to a high level of detail. The drive for increasingly accurate trap parameters has led to the development of new methods of characterisation of traps in the silicon, measuring the trap properties and their effects to the single-trap level in situ. Here, we summarise the latest developments in trap characterisation techniques for n-channel and p-channel devices.

  15. 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.

  16. 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.

  17. 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.

  18. Structure function calculations for Ostwald Ripening processes

    NASA Technical Reports Server (NTRS)

    Hassan, Razi A.

    1990-01-01

    A program for computing the structure function for configurations involved in Ostwald Ripening was written. The basic algorithms are derived from a mathematical analysis of a two-dimensional model system developed by Bortz, et. al. (1974). While it is expected that the values form the computer simulations will reflect Ostwald Ripening, at this point the program is still being tested. Some preliminary runs seem to justify the expectations.

  19. 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.

  20. In situ heavy ion irradiation studies of nanopore shrinkage and enhanced radiation tolerance of nanoporous Au

    NASA Astrophysics Data System (ADS)

    Li, Jin; Fan, C.; Ding, J.; Xue, S.; Chen, Y.; Li, Q.; Wang, H.; Zhang, X.

    2017-01-01

    High energy particle radiations induce severe microstructural damage in metallic materials. Nanoporous materials with a giant surface-to-volume ratio may alleviate radiation damage in irradiated metallic materials as free surface are defect sinks. Here we show, by using in situ Kr ion irradiation in a transmission electron microscope at room temperature, that nanoporous Au indeed has significantly improved radiation tolerance comparing with coarse-grained, fully dense Au. In situ studies show that nanopores can absorb and eliminate a large number of radiation-induced defect clusters. Meanwhile, nanopores shrink (self-heal) during radiation, and their shrinkage rate is pore size dependent. Furthermore, the in situ studies show dose-rate-dependent diffusivity of defect clusters. This study sheds light on the design of radiation-tolerant nanoporous metallic materials for advanced nuclear reactor applications.

  1. In situ heavy ion irradiation studies of nanopore shrinkage and enhanced radiation tolerance of nanoporous Au

    PubMed Central

    Li, Jin; Fan, C.; Ding, J.; Xue, S.; Chen, Y.; Li, Q.; Wang, H.; Zhang, X.

    2017-01-01

    High energy particle radiations induce severe microstructural damage in metallic materials. Nanoporous materials with a giant surface-to-volume ratio may alleviate radiation damage in irradiated metallic materials as free surface are defect sinks. Here we show, by using in situ Kr ion irradiation in a transmission electron microscope at room temperature, that nanoporous Au indeed has significantly improved radiation tolerance comparing with coarse-grained, fully dense Au. In situ studies show that nanopores can absorb and eliminate a large number of radiation-induced defect clusters. Meanwhile, nanopores shrink (self-heal) during radiation, and their shrinkage rate is pore size dependent. Furthermore, the in situ studies show dose-rate-dependent diffusivity of defect clusters. This study sheds light on the design of radiation-tolerant nanoporous metallic materials for advanced nuclear reactor applications. PMID:28045044

  2. In situ and ex situ studies of materials with relevance to electrochemical energy storage and energy generation

    NASA Astrophysics Data System (ADS)

    Luo, Yu

    Surface analytical techniques have been employed for the preparation and characterization of modified surfaces of relevance to electrochemical energy storage and generation in ultrahigh vacuum environments. Complementary in situ spectroscopic studies were also performed using Raman microscopy for monitoring static and dynamic aspects of Li intercalation and deintercalation into transition metal oxides and graphitic materials. The most important conclusions emerging from this investigation can be summarized as follows: (i) Ruthenium-modified Pt(100) surfaces of very high purity and controlled stoichiometry were prepared in ultrahigh vacuum (UHV) by irradiating Ru3(CO)12 films condensed on cold Pt substrates at 150 K with X-rays, and subsequent annealing at ca. 620 K. Exposure of non-annealed Ru(thetaRu ≥0.22)/Pt(100) to large exposures of CO at ca. 200 K, yielded smaller theta CO, and temperature programmed desorption peaks ca. 50 K lower than those observed for bare Pt(100). (ii) Raman spectra of isolated single particles of technical grade LiMn2O4 embedded in Au foils were recorded in situ in 1M LiPF6 in EC/DMC solutions in real time during a voltammetric scan using a Raman microscope. Similar experiments involving single KS-44 carbon particles (8--50 mum in diameter) embedded into thermally annealed Ni foils in 1M LiClO4, ethylene carbonate (EC) diethyl carbonate (DEC) solutions allowed the average concentration of Li+ within the volume of the particle probed by the laser beam following application of a potential step to be monitored spectroscopically in real time. Analysis of these transient data yielded deintercalation time constants for Li+ for dilute stage 1 phase consistent with reported values of Li+ diffusion coefficients within graphitic materials. A new Raman band ascribed to bounding graphite layers was found upon continuous cycling of single KS-44 particles deep into the Li+-intercalation region. This feature was attributed to chemical modifications

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

    Although abundant phase transformations are in general thermally driven processes, there are many examples wherein stresses can induce phase transformations. Numerous in situ techniques, such as in situ x-ray diffraction and neutron diffraction, have been applied 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. Here we briefly review in situ studies on stress-induced diffusional and diffusionless phase transformations in amorphous CuZrAl alloy and NiFeGa shape memory alloy. 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.

  4. 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.

  5. 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

  6. In situ studies of mass transport in liquid alloys by means of neutron radiography.

    PubMed

    Kargl, F; Engelhardt, M; Yang, F; Weis, H; Schmakat, P; Schillinger, B; Griesche, A; Meyer, A

    2011-06-29

    When in situ techniques became available in recent years this led to a breakthrough in accurately determining diffusion coefficients for liquid alloys. Here we discuss how neutron radiography can be used to measure chemical diffusion in a ternary AlCuAg alloy. Neutron radiography hereby gives complementary information to x-ray radiography used for measuring chemical diffusion and to quasielastic neutron scattering used mainly for determining self-diffusion. A novel Al(2)O(3) based furnace that enables one to study diffusion processes by means of neutron radiography is discussed. A chemical diffusion coefficient of Ag against Al around the eutectic composition Al(68.6)Cu(13.8)Ag(17.6) at.% was obtained. It is demonstrated that the in situ technique of neutron radiography is a powerful means to study mass transport properties in situ in binary and ternary alloys that show poor x-ray contrast.

  7. In situ heavy ion irradiation studies of nanopore shrinkage and enhanced radiation tolerance of nanoporous Au

    DOE PAGES

    Li, Jin; Fan, Cuncai; Ding, Jie; ...

    2017-01-03

    High energy particle radiations induce severe microstructural damage in metallic materials. Nanoporous materials with a giant surface-to-volume ratio may alleviate radiation damage in irradiated metallic materials as free surface are defect sinks. We show, by using in situ Kr ion irradiation in a transmission electron microscope at room temperature, that nanoporous Au indeed has significantly improved radiation tolerance comparing with coarse-grained, fully dense Au. In situ studies show that nanopores can absorb and eliminate a large number of radiation-induced defect clusters. Meanwhile, nanopores shrink (self-heal) during radiation, and their shrinkage rate is pore size dependent. Furthermore, the in situ studiesmore » show dose-rate-dependent diffusivity of defect clusters. Our study sheds light on the design of radiation-tolerant nanoporous metallic materials for advanced nuclear reactor applications.« less

  8. Structure-function relationships of human meniscus.

    PubMed

    Danso, Elvis K; Oinas, Joonas M T; Saarakkala, Simo; Mikkonen, Santtu; Töyräs, Juha; Korhonen, Rami K

    2017-03-01

    , caused by the collagen network and fluid, may be strongly influenced by tissue osmotic swelling from the deep meniscus caused by the increased PG content, leading to increased collagen fibril tension. These nonlinear biomechanical properties are suggested to be further amplified by higher collagen content at all tissue depths and superficial collagen fibril orientation. However, these structure-function relationships are suggested to be highly site-specific.

  9. Structure-function relations of carbohydrates by neoglycolipid arrays.

    PubMed

    Huang, Gang-Liang; Huang, Hua-Liang; Zhang, Hou-Cheng; Wang, Peng-George

    2006-06-01

    The work presented herein is a new noncovalent glycoarray assembly method for microplates created by simply mixing together a carbohydrate and a tetradecylamine. alpha-D-Mannopyranoside, alpha-D-glucopyranoside, and alpha-D-galactopyranoside were utilized in model studies and product formations were detected by lectin binding. The method can be extended to study the steric hindrance effect of carbohydrate-protein interactions, namely the structure-function relations of carbohydrates.

  10. 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

  11. 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.

  12. In-situ study of interconnect failures by electromigration inside a scanning electron microscope

    SciTech Connect

    Wetzig, Klaus; Wendrock, Horst; Buerke, Axel; Koetter, Thomas

    1999-11-03

    The influence of microstructure on electromigration damage of Al and Cu interconnects with different width and morphology was studied. At first, grain boundaries and local grain orientations before electromigration were registered and correlated with defect places. The investigations focussed on in-situ electromigration tests inside a SEM under accelerated loading conditions, on the in-situ observation of defect formation, and on orientation measurements at the interconnect grains. The position of individual grain boundaries and the misorientation of their neighbored grains seem to be decisive factors for the interconnect failure because of different diffusivities. Whereas the failure behavior of polycrystalline interconnects is sufficiently understood, bamboo structures require further investigations.

  13. In situ STM studies of electrochemically polished Cd(0001) electrode in aqueous electrolyte solutions

    NASA Astrophysics Data System (ADS)

    Pikma, P.; Grozovski, V.; Kasuk, H.; Lust, E.

    2014-10-01

    The in situ STM studies of electrochemically polished Cd(0001) electrode in the H3PO4 aqueous solution have been performed under negative electrode potentials from - 1.4 to - 0.9 V (versus Ag|AgCl in sat. KCl aqueous solution) in the 0.1 M Na2SO4 + 1 × 10- 5 M H2SO4 aqueous solution. The atomic resolution parameters of Cd(0001) surface have been calculated. The in situ STM data show that there are no surface reconstruction processes and the surface structure of electrochemically polished Cd(0001) is stable within the potential region investigated.

  14. In situ study on the reorientation of polymer chains in operating polymer diodes

    NASA Astrophysics Data System (ADS)

    Guo, Tzung-Fang; Yang, Yang

    2002-01-01

    A reflection-absorption Fourier-transform infrared spectroscopy experiment has been designed to in situ monitor poly(2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene) (MEH-PPV)-based polymer light-emitting diodes under stress test. This method enables the in situ study of the co-relation between device performance and the conformational transformation of a conjugated polymer. The experimental results indicate that the plane of the conjugated π-electron cloud in MEH-PPV tends to align parallel to the substrate. This rearrangement enhances the π-π electron coupling and lowers the device operating voltage under high current densities.

  15. Sample environment for in situ synchrotron corrosion studies of materials in extreme environments

    SciTech Connect

    Elbakhshwan, Mohamed S.; Gill, Simerjeet K.; Motta, Arthur T.; Weidner, Randy; Anderson, Thomas; Ecker, Lynne E.

    2016-10-25

    A new in situ sample environment has been designed and developed to study the interfacial interactions of nuclear cladding alloys with high temperature steam. The sample environment is particularly optimized for synchrotron X-ray diffraction (XRD) studies for in situ structural analysis. The sample environment is highly corrosion resistant and can be readily adapted for steam environments. The in situ sample environment design complies with G2 ASTM standards for studying corrosion in zirconium and its alloys and offers remote temperature and pressure monitoring during the in situ data collection. The use of the in situ sample environment is exemplified by monitoring the oxidation of metallic zirconium during exposure to steam at 350°C. Finally, the in situ sample environment provides a powerful tool for fundamental understanding of corrosion mechanisms by elucidating the substoichiometric oxide phases formed during early stages of corrosion, which can provide a better understanding the oxidation process.

  16. Fungal lectins: structure, function and potential applications.

    PubMed

    Varrot, Annabelle; Basheer, Soorej M; Imberty, Anne

    2013-10-01

    Lectins are a widespread class of proteins implicated in many essential cellular and molecular recognition processes. They recognize carbohydrates in a non-catalytic, specific and reversible manner. Fungi, which include mushrooms, microfungi and yeasts, have attracted wide interest in recent years. They are indeed a promising source for novel lectins with unique specificity and potential for biomedical and biotechnological applications. Information on fungal lectins, particularly structural insight, is scarce compared to that on their plant and animal counterparts. This review therefore focuses on the structure, function, and exploitable properties of fungal lectins. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. 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.

  18. 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.

  19. Surface phenomena revealed by in situ imaging: studies from adhesion, wear and cutting

    NASA Astrophysics Data System (ADS)

    Viswanathan, Koushik; Mahato, Anirban; Yeung, Ho; Chandrasekar, Srinivasan

    2017-03-01

    Surface deformation and flow phenomena are ubiquitous in mechanical processes. In this work we present an in situ imaging framework for studying a range of surface mechanical phenomena at high spatial resolution and across a range of time scales. The in situ framework is capable of resolving deformation and flow fields quantitatively in terms of surface displacements, velocities, strains and strain rates. Three case studies are presented demonstrating the power of this framework for studying surface deformation. In the first, the origin of stick-slip motion in adhesive polymer interfaces is investigated, revealing a intimate link between stick-slip and surface wave propagation. Second, the role of flow in mediating formation of surface defects and wear particles in metals is analyzed using a prototypical sliding process. It is shown that conventional post-mortem observation and inference can lead to erroneous conclusions with regard to formation of surface cracks and wear particles. The in situ framework is shown to unambiguously capture delamination wear in sliding. Third, material flow and surface deformation in a typical cutting process is analyzed. It is shown that a long-standing problem in the cutting of annealed metals is resolved by the imaging, with other benefits such as estimation of energy dissipation and power from the flow fields. In closure, guidelines are provided for profitably exploiting in situ observations to study large-strain deformation, flow and friction phenomena at surfaces that display a variety of time-scales.

  20. Palladium deuteride formation in the cathode of an electrochemical cell: An in situ neutron diffraction study

    SciTech Connect

    Rotella, F.J.; Richardson, J.W. Jr.; Redey, L.; Felcher, G.P.; Hitterman, R.L.; Kleb, R.

    1991-12-31

    In this report, neutron diffraction of palladium cathodes is utilized to reveal palladium deuteride formation within the crystal structure of the metal. The experiment described in this report demonstrates the efficacy of neutron powder diffraction as a tool for structural studies of metal deuterides/hydrides and the feasibility of in situ diffraction measurements from a working electrochemical cell. (JL)

  1. Palladium deuteride formation in the cathode of an electrochemical cell: An in situ neutron diffraction study

    SciTech Connect

    Rotella, F.J.; Richardson, J.W. Jr.; Redey, L.; Felcher, G.P.; Hitterman, R.L.; Kleb, R.

    1991-01-01

    In this report, neutron diffraction of palladium cathodes is utilized to reveal palladium deuteride formation within the crystal structure of the metal. The experiment described in this report demonstrates the efficacy of neutron powder diffraction as a tool for structural studies of metal deuterides/hydrides and the feasibility of in situ diffraction measurements from a working electrochemical cell. (JL)

  2. Confocal microscopy indentation system for studying in situ chondrocyte mechanics.

    PubMed

    Han, Sang-Kuy; Colarusso, Pina; Herzog, Walter

    2009-10-01

    Chondrocytes synthesize extracellular matrix molecules, thus they are essential for the development, adaptation and maintenance of articular cartilage. Furthermore, it is well accepted that the biosynthetic activity of chondrocytes is influenced by the mechanical environment. Therefore, their response to mechanical stimuli has been studied extensively. Much of the knowledge in this area of research has been derived from testing of isolated cells, cartilage explants, and fixed cartilage specimens: systems that differ in important aspects from chondrocytes embedded in articular cartilage and observed during loading conditions. In this study, current model systems have been improved by working with the intact cartilage in real time. An indentation system was designed on a confocal microscope that allows for simultaneous loading and observation of chondrocytes in their native environment. Cell mechanics were then measured under precisely controlled loading conditions. The indentation system is based on a light transmissible cylindrical glass indentor of 0.17 mm thickness and 1.64 mm diameter that is aligned along the focal axis of the microscope and allows for real time observation of live cells in their native environment. The system can be used to study cell deformation and biological responses, such as calcium sparks, while applying prescribed loads on the cartilage surface. It can also provide novel information on the relationship between cell loading and cartilage adaptive/degenerative processes in the intact tissue.

  3. Comparison of γZ-structure function models

    SciTech Connect

    Rislow, Benjamin C.

    2013-11-07

    The γZ-box is an important contribution to the proton's weak charge. The γZ-box is calculated dispersively and depends on γZ-structure functions, F{sub 1,2,3}{sup γZ}(x,Q{sup 2}). At present there is no data for these structure functions and they must be modeled by modifying existing fits to electromagnetic data. Each group that has studied the γZ-box used different modifications. The results of the PVDIS experiment at Jefferson Lab may provide a first test of the validity of each group's models. I present details of the different models and their predictions for the PVDIS result.

  4. 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. © 2010 Blackwell Publishing Ltd/CNRS.

  5. 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.

  6. Structure Function of Excess Charge in Rock Salt

    NASA Astrophysics Data System (ADS)

    Watanabe, Yusuke; Chiba, Masami; Yasuda, Osamu; Kamijo, Toshio; Chikashige, Yuichi; Kon, Tadashi; Shimizu, Yutaka; Amano, Akio; Takeoka, Yosito; Mori, Satoshi; Ninomiya, Sousuke

    Ultra high-energy (UHE) neutrino (1015 eV <) detection in natural huge rock salt formation has been studied. Radio wave is generated by Askar'yan effect in rock salt. That is caused by the number asymmetry of electrons and positrons (excess charge) in electromagnetic shower from an UHE neutrino. An Electromagnetic shower in rock salt is generated by a computer code of Geant4.5. A modified Greisen parameterization in longitudinal distribution of the shower and a modified Nishimura, Kamata, and Greisen function in lateral distribution of the shower (structure function) are fitted to a space distribution of the excess electrons. The structure function would assist to calculate radio wave emission without using an electromagnetic shower simulation.

  7. Comparison of {gamma}Z-structure function models

    SciTech Connect

    Rislow, Benjamin C.

    2013-11-01

    The {gamma}Z-box is an important contribution to the proton's weak charge. The {gamma}Z-box is calculated dispersively and depends on {gamma}Z-structure functions, F{sub {gamma}Z1,2,3}(x,Q{sup 2}) . At present there is no data for these structure functions and they must be modeled by modifying existing fits to electromagnetic data. Each group that has studied the {gamma}Z-box used different modifications. The results of the PVDIS experiment at Jefferson Lab may provide a first test of the validity of each group's models. I present details of the different models and their predictions for the PVDIS result.

  8. Postmenopausal hormone therapy and ductal carcinoma in situ: A population-based case control study

    PubMed Central

    Calvocoressi, Lisa; Stowe, Meredith H.; Carter, Darryl; Claus, Elizabeth B.

    2013-01-01

    Background and aim The relationship between hormone therapy (HT) and invasive breast cancer has been extensively investigated, but the relationship between HT and in situ breast cancer has received relatively little attention. We examined the relationship between HT and ductal carcinoma in situ (DCIS) among postmenopausal women who participated in a population-based case control study in Connecticut, USA. Methods This analysis included 1,179 post-menopausal women (603 controls and 576 cases), who comprised a subset of a population-based case-control study that included all incident cases of breast carcinoma in situ (BCIS) in Connecticut and frequency-matched controls by 5-year age intervals. Results We found no association between DCIS and ever use of any HT (adjusted odds ratio (OR) = 0.85, 95 % confidence interval (CI): 0.65-1.11); of estrogen alone (adjusted OR = 0.93; 95 % CI: 0.68-1.29) or of estrogen and progesterone (adjusted OR = 0.75; 95 % CI: 0.52-1.08). There was also no association between DCIS and current use of these hormones. In addition, estimated risk of DCIS did not increase with duration of use of these preparations. Conclusions These results add to a small literature that remains inconclusive. To determine whether HT poses risk of in situ breast cancer, larger studies with greater power and precise control of important covariates (e.g., mammography screening) are needed, as are meta-analyses of available data. PMID:22317899

  9. The Structure-Function Linkage Database.

    PubMed

    Akiva, Eyal; Brown, Shoshana; Almonacid, Daniel E; Barber, Alan E; Custer, Ashley F; Hicks, Michael A; Huang, Conrad C; Lauck, Florian; Mashiyama, Susan T; Meng, Elaine C; Mischel, David; Morris, John H; Ojha, Sunil; Schnoes, Alexandra M; Stryke, Doug; Yunes, Jeffrey M; Ferrin, Thomas E; Holliday, Gemma L; Babbitt, Patricia C

    2014-01-01

    The Structure-Function Linkage Database (SFLD, http://sfld.rbvi.ucsf.edu/) is a manually curated classification resource describing structure-function relationships for functionally diverse enzyme superfamilies. Members of such superfamilies are diverse in their overall reactions yet share a common ancestor and some conserved active site features associated with conserved functional attributes such as a partial reaction. Thus, despite their different functions, members of these superfamilies 'look alike', making them easy to misannotate. To address this complexity and enable rational transfer of functional features to unknowns only for those members for which we have sufficient functional information, we subdivide superfamily members into subgroups using sequence information, and lastly into families, sets of enzymes known to catalyze the same reaction using the same mechanistic strategy. Browsing and searching options in the SFLD provide access to all of these levels. The SFLD offers manually curated as well as automatically classified superfamily sets, both accompanied by search and download options for all hierarchical levels. Additional information includes multiple sequence alignments, tab-separated files of functional and other attributes, and sequence similarity networks. The latter provide a new and intuitively powerful way to visualize functional trends mapped to the context of sequence similarity.

  10. 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.

  11. 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.

  12. Cost studies of thermally enhanced in situ soil remediation technologies

    SciTech Connect

    Bremser, J.; Booth, S.R.

    1996-05-01

    This report describes five thermally enhanced technologies that may be used to remediate contaminated soil and water resources. The standard methods of treating these contaminated areas are Soil Vapor Extraction (SVE), Excavate & Treat (E&T), and Pump & Treat (P&T). Depending on the conditions at a given site, one or more of these conventional alternatives may be employed; however, several new thermally enhanced technologies for soil decontamination are emerging. These technologies are still in demonstration programs which generally are showing great success at achieving the expected remediation results. The cost savings reported in this work assume that the technologies will ultimately perform as anticipated by their developers in a normal environmental restoration work environment. The five technologies analyzed in this report are Low Frequency Heating (LF or Ohmic, both 3 and 6 phase AC), Dynamic Underground Stripping (DUS), Radio Frequency Heating (RF), Radio Frequency Heating using Dipole Antennae (RFD), and Thermally Enhanced Vapor Extraction System (TEVES). In all of these technologies the introduction of heat to the formation raises vapor pressures accelerating contaminant evaporation rates and increases soil permeability raising diffusion rates of contaminants. The physical process enhancements resulting from temperature elevations permit a greater percentage of volatile organic compound (VOC) or semi- volatile organic compound (SVOC) contaminants to be driven out of the soils for treatment or capture in a much shorter time period. This report presents the results of cost-comparative studies between these new thermally enhanced technologies and the conventional technologies, as applied to five specific scenarios.

  13. An in situ study of resin-assisted solvothermal metal-organic framework synthesis

    SciTech Connect

    Moorhouse, Saul J.; Wu, Yue; O’Hare, Dermot

    2016-04-15

    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. - Graphical abstract: In situ monochromatic high-energy X-ray diffraction study of a MOF synthesis. - Highlights: • Resin-assisted solvothermal MOF synthesis was studied using in situ diffraction. • Full kinetics of reaction can be obtained from in situ data. • Kinetics show that this resin-assisted synthesis is diffusion controlled. • Resin-assisted synthesis enables the production of an alternative bulk phase.

  14. Measurement of inclusive spin structure functions of the deuteron

    NASA Astrophysics Data System (ADS)

    Yun, J.; Kuhn, S. E.; Dodge, G. E.; Forest, T. A.; Taiuti, M.; Adams, G. S.; Amaryan, M. J.; Anciant, E.; Anghinolfi, M.; Asavapibhop, B.; Asryan, G.; Audit, G.; Auger, T.; Avakian, H.; Barrow, S.; Battaglieri, M.; Beard, K.; Bektasoglu, M.; Bertozzi, W.; Bianchi, N.; Biselli, A. S.; Boiarinov, S.; Bosted, P.; Bouchigny, S.; Bradford, R.; Branford, D.; Brooks, W. K.; Bueltmann, S.; Burkert, V. D.; Butuceanu, C.; Calarco, J. R.; Carman, D. S.; Carnahan, B.; Cetina, C.; Ciciani, L.; Cole, P. L.; Coleman, A.; Connelly, J.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Cummings, J.; Sanctis, E. De; Vita, R. De; Degtyarenko, P. V.; Demirchyan, R. A.; Denizli, H.; Dennis, L. C.; Dharmawardane, K. V.; Djalali, C.; Domingo, J.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dytman, S.; Eckhause, M.; Efremenko, Y. V.; Egiyan, H.; Egiyan, K. S.; Elouadrhiri, L.; Empl, A.; Farhi, L.; Fatemi, R.; Feuerbach, R. J.; Ficenec, J.; Fissum, K.; Freyberger, A.; Frolov, V.; Funsten, H.; Gaff, S. J.; Gai, M.; Gavalian, G.; Gavrilov, V. B.; Gilad, S.; Gilfoyle, G. P.; Giovanetti, K. L.; Girard, P.; Golovatch, E.; Gordon, C. I.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hancock, D.; Hardie, J.; Heddle, D.; Heimberg, P.; Hersman, F. W.; Hicks, K.; Hicks, R. S.; Holtrop, M.; Hu, J.; Hyde-Wright, C. E.; Ito, M. M.; Jenkins, D.; Joo, K.; Keith, C.; Kelley, J. H.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klimenko, A. V.; Klusman, M.; Kossov, M.; Kramer, L. H.; Kuang, Y.; Kuhn, J.; Lachniet, J.; Laget, J. M.; Lawrence, D.; Leksin, G. A.; Loukachine, K.; Major, R. W.; Manak, J. J.; Marchand, C.; McAleer, S.; McNabb, J. W.; McCarthy, J.; Mecking, B. A.; Mestayer, M. D.; Meyer, C. A.; Minehart, R.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morrow, S.; Muccifora, V.; Mueller, J.; Murphy, L. Y.; Mutchler, G. S.; Napolitano, J.; Nelson, S. O.; Niccolai, S.; Niculescu, G.; Niczyporuk, B.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Ohandjanyan, M. S.; Opper, A.; Ossipenko, M.; Park, K.; Patois, Y.; Peterson, G. A.; Philips, S.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Preedom, B. M.; Price, J. W.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Rock, S.; Ronchetti, F.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabourov, K.; Salgado, C. W.; Sapunenko, V.; Sargsyan, M.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Shuvalov, S. M.; Simionatto, S.; Skabelin, A.; Smith, E. S.; Smith, L. C.; Smith, T.; Sober, D. I.; Sorrell, L.; Spraker, M.; Stepanyan, S.; Stoler, P.; Taylor, S.; Tedeschi, D.; Thoma, U.; Thompson, R.; Todor, L.; Tung, T. Y.; Tur, C.; Vineyard, M. F.; Vlassov, A.; Wang, K.; Weinstein, L. B.; Weller, H.; Welsh, R.; Weygand, D. P.; Whisnant, S.; Witkowski, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Zhang, B.; Zhao, J.; Zhou, Z.

    2003-05-01

    We report the results of a new measurement of spin structure functions of the deuteron in the region of moderate momentum transfer [Q2=0.27 1.3 (GeV/c)2] and final hadronic state mass in the nucleon resonance region (W=1.08 2.0 GeV). We scattered a 2.5 GeV polarized continuous electron beam at Jefferson Lab off a dynamically polarized cryogenic solid state target (15ND3) and detected the scattered electrons with the CEBAF large acceptance spectrometer. From our data, we extract the longitudinal double spin asymmetry A|| and the spin structure function gd1. Our data are generally in reasonable agreement with existing data from SLAC where they overlap, and they represent a substantial improvement in statistical precision. We compare our results with expectations for resonance asymmetries and extrapolated deep inelastic scaling results. Finally, we evaluate the first moment of the structure function gd1 and study its approach to both the deep inelastic limit at large Q2 and to the Gerasimov-Drell-Hearn sum rule at the real photon limit (Q2→0). We find that the first moment varies rapidly in the Q2 range of our experiment and crosses zero at Q2 between 0.5 and 0.8 (GeV/c)2, indicating the importance of the Δ resonance at these momentum transfers.

  15. Deuteron Spin Structure function g1 at low Q^2

    NASA Astrophysics Data System (ADS)

    Adhikari, Krishna; Kuhn, Sebastian

    2012-10-01

    The spin structure function g1(x,Q^2) and its moments provide crucial information on the internal structure of the nucleon. At low momentum transfer Q^2, one can study the transition from partonic (quark-gluon) to hadronic (nucleonic) degrees of freedom and test effective theories based on QCD, for instance Chiral Perturbation Theory (ChPT). As Q^2 goes to zero, the first moment of g1 is constrained by the GDH sum rule and its ChPT extensions, which makes measurements of g1 in this region uniquely interesting. As part of the large program of spin structure function measurements with CLAS at Jefferson Lab, the EG4 experiment measured the cross section difference between electron beam and proton/deuteron target spins parallel and antiparallel to each other (and the beam direction) down to small scattering angles (approx. 7 degrees). From these differences, g1 can be extracted, with minimal model uncertainties, down to Q^2 as low as 0.01 GeV^2. We will give a brief overview of the experiment and its analysis, and present first preliminary results on the deuteron spin structure function g1d(x,Q^2).

  16. Insight into growth of Au-Pt bimetallic nanoparticles: an in situ XAS study.

    PubMed

    Nayak, Chandrani; Bhattacharyya, D; Bhattacharyya, K; Tripathi, A K; Bapat, R D; Jha, S N; Sahoo, N K

    2017-07-01

    Au-Pt bimetallic nanoparticles have been synthesized through a one-pot synthesis route from their respective chloride precursors using block copolymer as a stabilizer. Growth of the nanoparticles has been studied by simultaneous in situ measurement of X-ray absorption spectroscopy (XAS) and UV-Vis spectroscopy at the energy-dispersive EXAFS beamline (BL-08) at Indus-2 SRS at RRCAT, Indore, India. In situ XAS spectra, comprising both X-ray near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) parts, have been measured simultaneously at the Au and Pt L3-edges. While the XANES spectra of the precursors provide real-time information on the reduction process, the EXAFS spectra reveal the structure of the clusters formed in the intermediate stages of growth. This insight into the formation process throws light on how the difference in the reduction potential of the two precursors could be used to obtain the core-shell-type configuration of a bimetallic alloy in a one-pot synthesis method. The core-shell-type structure of the nanoparticles has also been confirmed by ex situ energy-dispersive spectroscopy line-scan and X-ray photoelectron spectroscopy measurements with in situ ion etching on fully formed nanoparticles.

  17. Structure, Function and On-Off Switching of a Core Unit Contact between CheA Kinase and CheW Adaptor Protein in the Bacterial Chemosensory Array: A Disulfide Mapping and TAM-IDS Study

    PubMed Central

    Natale, Andrew M.; Duplantis, Jane L.; Piasta, Kene N.; Falke, Joseph J.

    2014-01-01

    The ultrasensitive, ultrastable bacterial chemosensory array of Escherichia coli and Salmonella typhimurium is representative of the large, conserved family of sensory arrays that control the cellular chemotaxis of motile bacteria and Archaea. The core framework of the membrane-bound array is a lattice assembled from three components: a transmembrane receptor, a cytoplasmic His kinase (CheA), and a cytoplasmic adaptor protein (CheW). Structural studies in the field have revealed the global architecture of the array and complexes between specific components, but much remains to be learned about the essential protein-protein interfaces that define array structure and transmit signals between components. This study has focused on the structure, function and on-off switching of a key contact between the kinase and adaptor proteins in the working, membrane-bound array. Specifically, the study addressed interface 1 in the putative kinase-adaptor ring where subdomain 1 of the kinase regulatory domain contacts subdomain 2 of the adaptor protein. Two independent approaches – disulfide mapping and site-directed Trp and Ala mutagenesis – were employed to (i) test the structural model of interface 1 and (ii) investigate its functional roles in both stable kinase incorporation and receptor-regulated kinase on-off switching. Studies were carried out in functional, membrane-bound arrays or in live cells. The findings reveal that crystal structures of binary and ternary complexes accurately depict the native interface in its kinase-activating on state. Furthermore, the findings indicate that at least part of the interface becomes less closely packed in its kinase-inhibiting off state. Together, the evidence shows the interface has a dual structural and signaling function that is crucial for stable kinase incorporation into the array, for kinase activation in the array on state, and likely for attractant-triggered kinase on-off switching. A model is presented that describes the

  18. The Spin Structure Function g2

    SciTech Connect

    Rock, Stephen E.

    2003-02-27

    We have measured the spin structure functions g{sub 2}{sup p} and g{sub 2}{sup d} over the kinematic range 0.02 {le} x {le} 0.8 and 0.7 {le} Q{sup 2} {le} 20 GeV{sup 2} by scattering 29.1 and 32.3 GeV longitudinally polarized electrons from transversely polarized NH{sub 3} and {sup 6}LiD targets. Our measured g{sub 2} approximately follows the twist-2 Wandzura-Wilczek calculation. The twist-3 reduced matrix elements d{sub 2}{sup p} and d{sub 2}{sup n} are less than two standard deviations from zero. The data are inconsistent with the Burkhardt-Cottingham sum rule. The Efremov-Leader-Teryaev integral is consistent with zero within our measured kinematic range.

  19. Transintestinal secretion of ciprofloxacin, grepafloxacin and sparfloxacin: in vitro and in situ inhibition studies.

    PubMed

    Rodríguez-Ibáñez, M; Nalda-Molina, R; Montalar-Montero, M; Bermejo, M V; Merino, V; Garrigues, T M

    2003-03-01

    The influence of the secretion process on the absorption of ciprofloxacin, grepafloxacin and sparfloxacin has been evaluated by means of inhibition studies. Two well known P-glycoprotein inhibitors (cyclosporine, verapamil), a mixed inhibitor of P-glycoprotein and the organic cation transporter OCT1 (quinidine) and a well established MRP substrate (p-aminohipuric acid) have been selected in order to distinguish the possible carriers implicated. An in situ rat gut perfusion model and CACO-2 permeability studies are used. Both methods suggest the involvement of several types of efflux transporters for every fluoroquinolone. The relevance of the secretory pathway depends on the intrinsic permeability of the quinolone. The in vitro model seems to be more suitable for discriminating mechanisms underlying the absorption process, while in situ studies are less sensitive to inhibition studies.

  20. New Pt/Alumina model catalysts for STM and in situ XPS studies

    NASA Astrophysics Data System (ADS)

    Nartova, Anna V.; Gharachorlou, Amir; Bukhtiyarov, Andrey V.; Kvon, Ren I.; Bukhtiyarov, Valerii I.

    2017-04-01

    The new Pt/alumina model catalysts for STM and in situ XPS studies based on thin alumina film formed over the conductive substrate are proposed. Procedure of platinum deposition developed for porous alumina was adapted for the model alumina support. The set of Pt/AlOx-film samples with the different mean platinum particle size was prepared. Capabilities of in situ XPS investigations of the proposed catalysts were demonstrated in study of NO decomposition on platinum nanoparticles. It is shown that proposed model catalysts behave similarly to Pt/γ-Al2O3 and provide the new opportunities for the instrumental studies of platinum catalysts due to resolving several issues (charging, heating, screening) that are typical for the investigation of the porous oxide supported catalysts.

  1. Treatability study to evaluate in situ chlorinated solvent and pesticide bioremediation

    SciTech Connect

    Lige, J.E.; MacFarlane, I.D.; Hundt, T.R.

    1995-12-31

    Exploiting microbial reactions to remediate chlorinated solvents and pesticide contamination appeared to be an attractive remedial alternative for a site located at the Dover Air Force Base in Dover, Delaware. To generate data to evaluate the feasibility of implementing enhanced in situ bioremediation as a remedial technique, a relatively inexpensive and rapid treatability study was designed. Batch microcosm studies were used to mimic in situ redox conditions (oxygenated and unoxygenated) and methanotrophic conditions. No evidence of target compound degradation existed under either the amended or unamended aerobic conditions; however, the activity observed in some samples under anaerobic conditions suggested transformation of chlorinated compounds and pesticides. Results showed that biodegradation may be inducible under certain conditions, but time lags and efficiencies could be expected to vary considerably. A remedial alternative analysis could not be expected to achieve the degree of accuracy and precision necessary without the data resulting from this study.

  2. 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.

  3. 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.

  4. 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

  5. Structure-function analysis of CYP27B1 and CYP27A1. Studies on mutants from patients with vitamin D-dependent rickets type I (VDDR-I) and cerebrotendinous xanthomatosis (CTX).

    PubMed

    Sawada, N; Sakaki, T; Kitanaka, S; Kato, S; Inouye, K

    2001-12-01

    We have determined eight types of missense mutants of CYP27B1 from Japanese vitamin D-dependent rickets type I (VDDR-I) patients [Kitanaka, S., Takeyama, K., Murayama, A., Sato, T., Okumura, K., Nogami, M., Hasegawa, Y., Niimi, H., Yanagisawa, J., Tanaka, T. & Kato, S. (1998) New England J. Med., 338, 653-661 and Kitanaka, S., Murayama, A., Sakaki, T., Inouye, K., Seino, Y., Fukumoto, S., Shima, M., Yukizane, S., Takayanagi, M., Niimi, H., Takeyama, K. & Kato, S. (1999) J. Clin. Endocrine Metab., 84, 4111-4117]. None of the CYP27B1 mutants showed 1alpha-hydroxylase activity towards 25-hydroxyvitamin D3. Thus, it was assumed that the mutated amino-acid residues play important roles in the 1alpha-hydroxylase activity, such as substrate binding, activation of molecular oxygen, interaction with adrenodoxin, and folding of the cytochrome P450 structure. To examine our hypothesis, we generated various mutants of CYP27B1 and studied their enzymatic properties. In addition, the corresponding mutations were introduced to CYP27A1, which belongs to the same family as CYP27B1. As CYP27A1 showed much higher expression level than CYP27B1 in Escherichia coli, further analysis including heme-binding and substrate-binding was performed with CYP27A1 in place of CYP27B1. Western blot analysis, spectral analysis including reduced CO-difference spectra and substrate-induced difference spectra, and enzymatic analysis of the mutant CYP27A1 gave information on the structure-function relationships of both CYP27A1 and CYP27B1. Although the sequence alignment suggested that Arg107, Gly125, and Pro497 of CYP27B1 might be involved in substrate binding, the experimental data strongly suggested that mutations of these amino-acid residues destroyed the tertiary structure of the substrate-heme pocket. It was also suggested that Arg389 and Arg453 of CYP27B1 were involved in heme-propionate binding, and Asp164 stabilized the four-helix bundle consisting of D, E, I and J helices, possibly by forming

  6. Demonstration testing and evaluation of in situ soil heating. Treatability study work plan (Revision 2)

    SciTech Connect

    Sresty, G.C.

    1994-12-30

    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. 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{degrees} to 95{degrees}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. This document is a Treatability Study Work Plan for the demonstration program. The document contains a description of the proposed treatability study, background of the EM heating process, description of the field equipment, and demonstration test design.

  7. Irradiation-related amorphization and crystallization: In situ transmission electron microscope studies

    SciTech Connect

    Allen, C.W.

    1994-04-01

    Interfacing an ion accelerator to a transmission electron microscope (TEM) allows the analytical functions of TEM imaging and diffraction to be employed during ion-irradiation effects studies. At present there are twelve such installations in Japan, one in France and one in the US. This paper treats several aspects of in situ studies involving electron and ion beam induced and enhanced phase transformations and presents results of several in situ experiments to illustrate the dynamics of this approach in the materials science of irradiation effects. The paper describes the ion- and electron-induced amorphization of CuTi; the ion-irradiation-enhanced transformation of TiCr{sub 2}; and the ion- and electron-irradiation-enhanced crystallization of CoSi{sub 2}.

  8. A flow-through hydrothermal cell for in situ neutron diffraction studies of phase transformations

    NASA Astrophysics Data System (ADS)

    O'Neill, Brian; Tenailleau, Christophe; Nogthai, Yung; Studer, Andrew; Brugger, Joël; Pring, Allan

    2006-11-01

    A flow-through hydrothermal cell for the in situ neutron diffraction study of crystallisation and phase transitions has been developed. It can be used for kinetic studies on materials that exhibit structural transformations under hydrothermal conditions. It is specifically designed for use on the medium-resolution powder diffractometer (MRPD) at ANSTO, Lucas Heights, Sydney. But it is planned to adapt the design for the Polaris beamline at ISIS and the new high-intensity powder diffractometer (Wombat) at the new Australian reactor Opal. The cell will operate in a flow-through mode over the temperature range from 25-300 °C and up to pressures of 100 bar. The first results of a successful transformation of pentlandite (Fe,Ni) 9S 8 to violarite (Fe,Ni) 3S 4 under mild conditions (pH∼4) at 120 °C and 3 bar using in situ neutron diffraction measurements are presented.

  9. 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.

  10. An in situ transmission electron microscope deformation study of the slip transfer mechanisms in metals

    SciTech Connect

    Lee, T.C.; Robertson, I.M.; Birnbaum, H.K. . Dept. of Materials Science and Engineering)

    1990-09-01

    The slip transfer mechanisms across grain boundaries in 310 stainless steel, high-purity aluminum, and a Ni-S alloy have been studied by using the in situ transmission electron microscope (TEM) deformation technique. Several interactions between mobile lattice dislocations and grain boundaries have been observed, including the transfer and generation of dislocations at grain boundaries and the nucleation and propagation of a grain boundary crack. Quantitative condition have been established to correctly predict the slip transfer mechanism.

  11. Volumetric photoacoustic endoscopy of internal organs: a phantom and in situ study

    NASA Astrophysics Data System (ADS)

    Yang, Joon-Mo; Maslov, Konstantin; Chen, Ruimin; Yang, Hao-Chung; Zhou, Qifa; Shung, K. Kirk; Wang, Lihong V.

    2010-02-01

    In this study, we further developed our photoacoustic endoscopic system to produce three-dimensional images of internal organs by performing pullback C-scans. Employing the side-scanning photoacoustic endoscopic probe discussed in the Optical Society of America's journal Optics Letters, we could acquire successive B-scan images by pulling back the probe with a motorized linear stage. We demonstrate the endoscopic system's volumetric imaging ability through imaging of a metal wire phantom and an in situ rat rectum.

  12. Microinjection and Fluorescence In Situ Hybridization Assay for Studying mRNA Export in Mammalian Cells.

    PubMed

    Wang, Ke; Shi, Min; Cheng, Hong

    2017-01-01

    Microinjection and Fluorescence in situ Hybridization (FISH) assay is a useful method for mRNA export studies, which can overcome the problems of traditional transfection in cells. Here, we describe the method of microinjection and FISH assay applied in investigation of mRNA export. By this method we can estimate the mRNA export kinetics, examining mRNA export in cells with low transfection efficiencies, and observing nuclear export of aberrant RNAs.

  13. In situ SEM study of lithium intercalation in individual V2O5 nanowires

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

    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. Here 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 of a 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. The SEI layer seems to have significant influence on the lithium ion diffusion and overall capacity of the single-nanobelt battery.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. Here 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 of a solid-electrolyte interface (SEI) and electromigration of liquid. We observed that single-crystalline vanadia nanobelts do not undergo large-scale amorphization or fracture

  14. 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.

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

    PubMed

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

    2014-03-07

    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(s), a key application will be in situ studies of microbial communities for short periods of time under natural 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 phototrophic bacterial mats isolated from Yellowstone National Park. 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.

  16. 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.

  17. GH62 arabinofuranosidases: Structure, function and applications.

    PubMed

    Wilkens, Casper; Andersen, Susan; Dumon, Claire; Berrin, Jean-Guy; Svensson, Birte

    2017-11-01

    Motivated by industrial demands and ongoing scientific discoveries continuous efforts are made to identify and create improved biocatalysts dedicated to plant biomass conversion. α-1,2 and α-1,3 arabinofuranosyl specific α-l-arabinofuranosidases (EC 3.2.1.55) are debranching enzymes catalyzing hydrolytic release of α-l-arabinofuranosyl residues, which decorate xylan or arabinan backbones in lignocellulosic and pectin constituents of plant cell walls. The CAZy database classifies α-l-arabinofuranosidases in Glycoside Hydrolase (GH) families GH2, GH3, GH43, GH51, GH54 and GH62. Only GH62 contains exclusively α-l-arabinofuranosidases and these are of fungal and bacterial origin. Twenty-two GH62 enzymes out of 223 entries in the CAZy database have been characterized and very recently new knowledge was acquired with regard to crystal structures, substrate specificities, and phylogenetics, which overall provides novel insights into structure/function relationships of GH62. Overall GH62 α-l-arabinofuranosidases are believed to play important roles in nature by acting in synergy with several cell wall degrading enzymes and members of GH62 represent promising candidates for biotechnological improvements of biofuel production and in various biorefinery applications. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. In situ SEM studies on strain sensing mechanisms of PPy-coated electrically conducting fabrics

    NASA Astrophysics Data System (ADS)

    Xue, P.; Tao, X. M.; Tsang, H. Y.

    2007-01-01

    This paper studies a flexible fabric strain sensor from PPy-coated fabrics prepared by a chemical vapor deposition method under low temperature, placing an emphasis on mechanisms of its strain sensing behavior. In situ tensile tests in a scanning electron microscope (SEM) were conducted for PPy-coated electrically conducting yarns, which were prepared by the same procedure as that for the PPy-coated fabrics, enabling it possible to observe in situ the phenomena that occurred on the fiber surface during fabric deformation. The investigation revealed that the PPy-coated nylon/polyurethane fabrics exhibited a high strain sensitivity of over 400 and very large workable strain range greater than 50%, which mainly attributes to the high conductivity and crack-opening and crack-closing mechanisms of PPy-coated polyurethane yarn, as well as the excellent properties of knitted fabric structure.

  19. Attenuated total reflection infrared spectroscopy (ATR-IR) as an in situ technique for dissolution studies.

    PubMed

    Kassis, Abe; Bhawtankar, Vrushali M; Sowa, John R

    2010-11-02

    Dissolution studies are critical tests for measuring the performance of a drug product. We have developed a novel technique using in situ ATR-IR spectroscopy to monitor dissolutions of pharmaceutical drug products. The accuracy of this technique is +/-3% relative to HPLC using salicylic acid calibrator tablets and acetaminophen OTC tablets. This novel approach also gives the research laboratory the capability of analyzing individual ingredients in multiple tablets; for example, individual components of salicylic acid and acetaminophen tablets are easily distinguished. In addition, the individual ingredients of a multi-component tablet containing acetylsalicylic acid and acetaminophen are readily distinguished. The ATR-IR system was found to have good sensitivity and can analyze samples as low as 0.03 mg/ml. With improved sensitivity, this is a promising method for monitoring dissolution of pharmaceutical tablets with an excellent in situ capability for distinguishing individual components. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  20. Reaction of Formic Acid over Amorphous Manganese Oxide Catalytic Systems: An In Situ Study

    SciTech Connect

    J Durand; S Senanayake; S Suib; D Mullins

    2011-12-31

    The interaction of formic acid with amorphous manganese oxide (AMO) is investigated using in situ photoelectron and infrared spectroscopy techniques. Soft X-ray photoelectron spectroscopy (sXPS) and in situ FTIR illustrate two possible modes of formate bound species at the AMO surface. Two peaks in the IR region from 1340-1390 cm{sup -1} are indicative of formate species bound to the surface in a bidentate configuration. However, a 224 cm{sup -1} band gap between v{sub s}OCO and v{sub as}OCO suggests formate is bound in a bridging configuration. Temperature-programmed desorption studies confirm the formate bound species desorbs as carbon dioxide from the surface at multiple binding sites. At temperatures above 700 K, the presence of K{sup +} {hor_ellipsis} OC complex suggests the bound species interacts at vacant sites related to framework oxygen and cation mobility.

  1. Reaction of Formic Acid over Amorphous Manganese Oxide Catalytic Systems: An In Situ Study

    SciTech Connect

    Durand, Jason; Senanayake, Sanjaya D; Mullins, David R; Suib, Steven

    2010-01-01

    The interaction of formic acid with amorphous manganese oxide (AMO) is investigated using in situ photoelectron and infrared spectroscopy techniques. Soft X-ray photoelectron spectroscopy (sXPS) and in situ FTIR illustrate two possible modes of formate bound species at the AMO surface. Two peaks in the IR region from 1340-1390 cm{sup -1} are indicative of formate species bound to the surface in a bidentate configuration. However, a 224 cm{sup -1} band gap between v{sub s}OCO and v{sub as}OCO suggests formate is bound in a bridging configuration. Temperature-programmed desorption studies confirm the formate bound species desorbs as carbon dioxide from the surface at multiple binding sites. At temperatures above 700 K, the presence of K{sup +} {hor_ellipsis} OC complex suggests the bound species interacts at vacant sites related to framework oxygen and cation mobility.

  2. A case study of in situ oil contamination in a mangrove swamp (Rio De Janeiro, Brazil).

    PubMed

    Brito, Elcia M S; Duran, Robert; Guyoneaud, Rémy; Goñi-Urriza, Marisol; García de Oteyza, T; Crapez, Miriam A C; Aleluia, Irene; Wasserman, Julio C A

    2009-08-01

    Mangroves are sensitive ecosystems of prominent ecological value that lamentably have lost much of their areas across the world. The vulnerability of mangroves grown in proximity to cities requires the development of new technologies for the remediation of acute oil spills and chronic contaminations. Studies on oil remediation are usually performed with in vitro microcosms whereas in situ experiments are rare. The aim of this work was to evaluate oil degradation on mangrove ecosystems using in situ microcosms seeded with an indigenous hydrocarbonoclastic bacterial consortium (HBC). Although the potential degradation of oil through HBC has been reported, their seeding directly on the sediment did not stimulate oil degradation during the experimental period. This is probably due to the availability of carbon sources that are easier to degrade than petroleum hydrocarbons. Our results emphasize the fragility of mangrove ecosystems during accidental oil spills and also the need for more efficient technologies for their remediation.

  3. 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

    2016-06-07

    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.

  4. Studies on the intercalation of naproxen into layered double hydroxide and its thermal decomposition by in situ FT-IR and in situ HT-XRD

    NASA Astrophysics Data System (ADS)

    Wei, Min; Shi, Shuxian; Wang, Ji; Li, Yong; Duan, Xue

    2004-07-01

    Layered double hydroxides, novel anionic clay, meet the first requirement as inorganic matrices for encapsulating functional drugs or biomolecules with negative charge in aqueous media. In this study, naproxen has been intercalated into Mg-Al layered double hydroxide by the methods of ion exchange. The structure and composition of the intercalated material have been studied by X-ray diffraction (XRD), UV-vis spectroscopy and inductively coupled plasma emission spectroscopy. A schematic model has been proposed. Furthermore, in situ Fourier transform infrared spectroscopy, in situ high-temperature XRD, and thermogravimetry (TG) have been used to characterize the thermal decomposition of the hybrid material. It has been found that the thermal stability of the intercalated naproxen is significantly enhanced compared with the pure form before intercalation, which suggests that this drug-inorganic layered material may have prospective application as the basis of a novel drug delivery system.

  5. 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.

  6. In situ Study of Bromide Tracer and Oxygen Flux in Coastal Sediments

    NASA Astrophysics Data System (ADS)

    Forster, S.; Glud, R. N.; Gundersen, J. K.; Huettel, M.

    1999-12-01

    Laboratory and in situ experiments were performed to assess the use of bromide as a tracer forin situ studies of benthic solute exchange. Bromide was used in the benthic chamber lander ' Elinor ' for flux measurements in coastal sediments of the German Bight, Kiel Bight and Skagerrak (28-700 m water depth). Tracer and total oxygen uptake were monitored simultaneously in the same chamber incubation. Concurrently, in situ oxygen micro-profiles were recorded at the same locations by the profiling lander ' Profilur '. Deployment in an anoxic silt (Kiel Bight) confirmed that in the absence of bioturbation and advection, tracer transport into the sediment was driven solely by molecular diffusion. This flux could be well described by a simple box model accounting for molecular diffusion only. In oxic sediments (German Bight and Skagerrak) enhanced exchange of bromide tracer due to bioirrigation parallelled enhanced oxygen uptake equivalent to a 4-fold molecular diffusive flux. Our experiments showed that incubations can be short. Depending on irrigation activity of the fauna, however, incubation length should exceed 3 h in order to provide a useful data base for flux calculations. The method demonstrating caveats is discussed and indicate possible improvements. The results show how the bromide tracer addition can be used as a tool for determining solute fluxes exceeding diffusive flux in benthic chamber incubations.

  7. The applications of in situ electron energy loss spectroscopy to the study of electron beam nanofabrication.

    PubMed

    Chen, Shiahn J; Howitt, David G; Gierhart, Brian C; Smith, Rosemary L; Collins, Scott D

    2009-06-01

    An in situ electron energy loss spectroscopy (EELS) technique has been developed to investigate the dynamic processes associated with electron-beam nanofabrication on thin membranes. In this article, practical applications germane to e-beam nanofabrication are illustrated with a case study of the drilling of nanometer-sized pores in silicon nitride membranes. This technique involves successive acquisitions of the plasmon-loss and the core-level ionization-loss spectra in real time, both of which provide the information regarding the hole-drilling kinetics, including two respective rates for total mass loss, individual nitrogen and silicon element depletion, and the change of the atomic bonding environment. In addition, the in situ EELS also provides an alternative method for endpoint detection with a potentially higher time resolution than by imaging. On the basis of the time evolution of in situ EELS spectra, a qualitative working model combining knock-on sputtering, irradiation-induced mass transport, and phase separation can be proposed.

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

    SciTech Connect

    Chen, Youxing; Li, Nan; Bufford, Daniel Charles; Li, Jin; Hattar, Khalid Mikhiel; Wang, Haiyan; Zhang, Xinghang

    2016-04-09

    By providing active defect sinks that capture and annihilate radiation induced defect clusters immiscible metallic multilayers with incoherent interfaces can effectively reduce defect density in ion irradiated metals. 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 our 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. Moreover, 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.

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

    DOE PAGES

    Chen, Youxing; Li, Nan; Bufford, Daniel Charles; ...

    2016-04-09

    By providing active defect sinks that capture and annihilate radiation induced defect clusters immiscible metallic multilayers with incoherent interfaces can effectively reduce defect density in ion irradiated metals. 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 our 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 electronmore » 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. Moreover, 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.« less

  10. In situ studies on ferroelectric BaTiO3 interface

    NASA Astrophysics Data System (ADS)

    Shin, Junsoo; Braun Nascimento, Von; Plummer, Ward; Zhang, Jiandi; Borisevich, Albina; Meunier, Vincent; Kalinin, Sergei; Baddorf, Arthur

    2012-02-01

    Ferroelectric phase stability in ferroelectric films is critically dependent on the surface and interface phenomena, especially governed by electrostatic depolarization energy. Predictions for the minimum critical film thickness for ferroelectricity have continuously decreased down to few unit cells. We have examined surface/interface atomic structures of ultrathin BaTiO3 (BTO) films grown on conductive SrRuO3 (SRO) and Nb-doped SrTiO3. The surface structure of BTO/SRO was refined using in-situ Low Energy Electron Diffraction (LEED) I-V, resulting to observation of polar distortion in ultrathin (>= 4 ML) BTO films. The in-situ Scanning Tunneling Microscopy (STM) has been performed prior and after BTO deposition on SRO. However, the unusual 2x2 reconstruction is observed for 1-2 ML BTO films and bare SRO by STM. The surface reconstruction of SRO bottom electrode is shown to affect the interface of films deposited subsequently which could be reflected in ultrathin film properties. The in-situ LEED I-V structural studies on 1-2 ML BTO interface have been performed without SRO layer, which kept ultrathin BTO films from the preclusion of reconstructed SRO films.

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

    DOE PAGES

    Strelcov, Evgheni; Cothren, Joshua E.; Leonard, Donovan N.; ...

    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

  12. Corrosion of an alloy studied in situ with synchrotron x-ray diffraction

    NASA Astrophysics Data System (ADS)

    Renner, Frank; Lee, Tien-Lin; Kolb, Dieter M.; Stierle, Andreas; Dosch, Helmut; Zegenhagen, Jorg

    2004-03-01

    Corrosion processes are mostly electrochemical in nature. For the basic understanding of corrosion and similar technical processes, in-situ structural methods capable of atomic resolution, such as scanning probe microscopy or hard X-ray techniques are necessary. We used in-situ X-ray diffraction and in addition ex-situ AFM, to study Cu_3Au(111) single crystal surfaces in 0.1M H_2SO4 electrolyte as a function of electrode potential in the sub-critical regime. This binary metal alloys serves as model systems for more complicated technically utilized metal alloys. During the initial electrochemical corrosion, Cu atoms are dissolved and a passivating layer is formed. The experiments show the formation of an epitaxial and highly strained ultra-thin Cu_xAu_1-x(111) phase on the surface at a potential where Cu dissolution starts. At higher potentials, thicker epitaxial Au islands are growing on the surface. AFM images reveal a surface, densely packed with Au islands of a homogeneous size-distribution. On a prolonged timescale, a percolating, porous morphology of the surface evolves by ripening, even at an electrode potential well below the critical potential.

  13. 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.

  14. 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

  15. In situ studies of nanoscale electromechanical behavior of nacre under flexural stresses using band excitation PFM.

    PubMed

    Li, Tao; Chen, Lei; Zeng, Kaiyang

    2013-04-01

    In this paper, we have studied the electromechanical coupling behaviors of nacre under non-destructive flexural stresses. Band excitation piezoresponse force microscopy is used as the primary tool to characterize the piezoelectric properties of nacre. This method can differentiate various constituents in nacre at the nanoscale and track their in situ responses under tensile and compressive stresses. The local ferroelectric hysteresis behaviors of nacre are also studied. Based on the hysteresis loops observed under different stress states, various phenomena, including the stress-induced internal field and energy loss, are revealed in this study.

  16. In-situ bioventing: Two US EPA and Air Force sponsored field studies

    SciTech Connect

    Sayles, G.D.; Hinchee, R.E.; Brenner, R.C.; Vogel, C.M.; Miller, R.N.

    1992-01-01

    Bioventing is the process of delivering oxygen by forced air movement through organically contaminated unsaturated soils in order to stimulate in situ biodegradation in an otherwise oxygen-limited environment. The paper is a report on progress of two ongoing bioventing field studies involving JP-4 jet fuel contamination. The first investigation, at Eielson AFB near Fairbanks, Alaska, is a study of bioventing in shallow soils and cold climates in conjunction with an evaluation of soil warming techniques. The second study, at Hill AFB near Salt Lake City, Utah, is examining bioventing of large volumes of soil and determining biodegradation and volatilization rates as a function of air injection rate.

  17. Characterization of Enzyme Structure-Function Relationship of Adenylosuccinate Lyase

    NASA Astrophysics Data System (ADS)

    Ray, Stephen; Patterson, David; Ghosh, Kingshuk; Wilkinson, Terry; Shaheen, Sean

    2009-10-01

    Adenylosuccinate lyase (ADSL) is an enzyme involved in de novo purine biosynthesis required for several important biological functions. Occasionally disturbances within the enzyme occur, causing a disorder known as ADSL deficiency. It is likely these mutations affect the formation of the tetramer structure by protein misfolding or aggregation. We are beginning to study fundamental properties of the enzyme structure-function relationship of Wild-Type ADSL compared to mutants associated with ADSL Deficiency with two major studies: i) Stability and formation of multimeric complexes in a heterogeneous pool of other structures, ii) Enzymatic activity and reaction kinetics studies by measuring reaction rates of the conversion of substrate into products and enzyme substrate complex formation equilibrium. Our group has successfully expressed Wild-Type (WT) and the mutants R426H and A291V in a protein expression vector and have measured their respective enzyme activity after purification. Modelling approaches for molecular interactions of monomer subunits show the trimer structure could be problematic. We have also carried out our preliminary analysis of the structure-function relationship using microscopic model for the A291V mutant compared to the WT protein.

  18. In Situ Infrared Spectroscopic Studies of Molecular Layer Deposition and Atomic Layer Etching Processes

    NASA Astrophysics Data System (ADS)

    DuMont, Jaime Willadean

    In this thesis, in situ Fourier transform infrared (FTIR) spectroscopy was used to study: i) the growth and pyrolysis of molecular layer deposition (MLD) films. ii) the surface chemistry of atomic layer etching (ALE) processes. Atomic layer processes such as molecular layer deposition (MLD) and atomic layer etching (ALE) are techniques that can add or remove material with atomic level precision using sequential, self-limiting surface reactions. Deposition and removal processes at the atomic scale are powerful tools for many industrial and research applications such as energy storage and semiconductor nanofabrication. The first section of this thesis describes the chemistry of reactions leading to the MLD of aluminum and tin alkoxide polymer films known as "alucone" and "tincone", respectively. The subsequent pyrolysis of these films to produce metal oxide/carbon composites was also investigated. In situ FTIR spectroscopy was conducted to monitor surface species during MLD film growth and to monitor the films background infrared absorbance versus pyrolysis temperature. Ex situ techniques such as transmission electron microscopy (TEM), four-point probe and X-ray diffraction (XRD) were utilized to study the properties of the films post-pyrolysis. TEM confirmed that the pyrolyzed films maintained conformality during post-processing. Four-point probe monitored film resistivity versus pyrolysis temperature and XRD determined the film crystallinity. The second section of this thesis focuses on the surface chemistry of Al2O3 and SiO2 ALE processes, respectively. Thermal ALE processes have been recently developed which utilize sequential fluorination and ligand exchange reactions. An intimate knowledge of the surface chemistry is important in understanding the ALE process. In this section, the competition between the Al2O3 etching and AlF 3 growth that occur during sequential HF (fluorinating agent) and TMA (ligand exchange) exposures is investigated using in situ FTIR

  19. Stabilization and acidic dissolution mechanism of single-crystalline ZnO(0001) surfaces in electrolytes studied by in-situ AFM imaging and ex-situ LEED.

    PubMed

    Valtiner, Markus; Borodin, Sergiy; Grundmeier, Guido

    2008-05-20

    A combined approach of pH-dependent in-situ AFM topography and ex-situ LEED studies of the stability and dissolution of single-crystalline ZnO(0001)-Zn surfaces in aqueous media is presented. Hydroxide-stabilized and single-crystalline ZnO(0001)-Zn surfaces turned out to be stable within a wide pH range between 11 and 4 around the point of zero charge of pH PZC = 8.7 +/- 0.2. Hydroxide stabilization turned out to be a very effective stabilization mechanism for polar oxide surfaces in electrolyte solutions. The dissolution of the oxide surface started at an acidic pH level of 5.5 and occurred selectively at the pre-existing step edges, which consist of nonpolar surfaces. In comparison, the oxide dissolution along the ZnO(0001) direction proved to be effectively inhibited above a pH value of 3.8. On the basis of these microscopic observations, the mechanistic understanding of the acidic dissolution process of ZnO could be supported. Moreover, both the in-situ AFM and the ex-situ LEED studies showed that the stabilization mechanism of the ZnO(0001) surfaces changes in acidic electrolytes. At pH values below 3.8, the hydroxide-stabilized surface is destabilized by dissolution of the well-ordered radical3. radical3. R30 hydroxide ad-layer as proven by LEED. Restabilization occurs and leads to the formation of triangular nanoterraces with a specific edge termination. However, below pH 4 the surface structure of the crystal itself is ill-defined on the macroscopic scale because preferable etching along crystal defects as dislocations into the bulk oxide results in very deep hexagonal etching pits.

  20. 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.

  1. 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.

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

    SciTech Connect

    Bodek, Arie

    2016-08-01

    We present preliminary results on an experimental study of the nuclear modification of the longitudinal ($\\sigma_L$) and transverse ($\\sigma_T$) 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= $\\sigma_L / \\sigma_T$ for nuclei ($R_A$) and for deuterium ($R_D$) 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, $R_A< R_D$.

  3. In-situ, Gate Bias Dependent Study of Neutron Irradiation Effects on AlGaN/GaN HFETs

    DTIC Science & Technology

    2010-03-01

    equivalent neutron fluence in gallium arsenide. Gallium arsenide was chosen instead of Si due to more similar structure to GaN. The equivalent fluence...IN-SITU GATE BIAS DEPENDENT STUDY OF NEUTRON IRRADIATION EFFECTS ON ALGAN/GAN HFETS THESIS...AFIT/GNE/ENP/10M-06 IN-SITU GATE BIAS DEPENDENT STUDY OF NEUTRON IRRADIATION EFFECTS ON ALGAN/GAN HFETS THESIS Presented to the

  4. A Rotational and Axial Motion System Load Frame Insert for In Situ High Energy X-Ray Studies (Postprint)

    DTIC Science & Technology

    2015-09-08

    AFRL-RX-WP-JA-2016-0273 A ROTATIONAL AND AXIAL MOTION SYSTEM LOAD FRAME INSERT FOR IN SITU HIGH ENERGY X - RAY STUDIES (POSTPRINT...SUBTITLE A ROTATIONAL AND AXIAL MOTION SYSTEM LOAD FRAME INSERT FOR IN SITU HIGH ENERGY X - RAY STUDIES (POSTPRINT) 5a. CONTRACT NUMBER FA8650-14...final publication is available at http://dx.doi.org/10.1063/1.4927855 14. ABSTRACT (Maximum 200 words) High energy x - ray characterization methods hold

  5. 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.

  6. In situ hybridization study of CYP2D mRNA in the common marmoset brain

    PubMed Central

    Shimamoto, Yoshinori; Niimi, Kimie; Kitamura, Hiroshi; Tsubakishita, Sae; Takahashi, Eiki

    2016-01-01

    The common marmoset is a non-human primate that has increasingly employed in the biomedical research including the fields of neuroscience and behavioral studies. Cytochrome P450 (CYP) 2D has been speculated to be involved in psycho-neurologic actions in the human brain. In the present study, to clarify the role of CYP2D in the marmoset brain, we investigated the expression patterns of CYP2D mRNA in the brain using in situ hybridization (ISH). In addition, to identify the gene location of CYP2D19, a well-studied CYP2D isoform in the common marmoset, a fluorescence in situ hybridization (FISH) study was performed. Consistent with findings for the human brain, CYP2D mRNA was localized in the neuronal cells of different brain regions; e.g., the cerebral cortex, hippocampus, substantia nigra, and cerebellum. FISH analysis showed that the CYP2D19 gene was located on chromosome 1q, which is homologous to human chromosome 22 on which the CYP2D6 gene exists. These results suggest that CYP2D in the marmoset brain may play the same role as human CYP2D6 in terms of brain actions, and that the CYP2D19 gene is conserved in a syntenic manner. Taken together, these findings suggest that the common marmoset is a useful model for studying psychiatric disorders related to CYP2D dysfunction in the brain. PMID:27356856

  7. 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

  8. Deuteron Spin Structure function g1 at low Q2

    NASA Astrophysics Data System (ADS)

    Adhikari, Krishna; Kuhn, Sebastian

    2013-10-01

    The spin structure function g1 (x ,Q2) and its moments provide crucial information on the internal structure of the nucleon. At low momentum transfer Q2, one can study the transition from partonic (quark-gluon) to hadronic (nucleonic) degrees of freedom and test effective theories based on QCD, such as Chiral Perturbation Theory (χPT). As Q2 goes to zero, the first moment of g1 is constrained by the GDH sum rule and its χPT extensions, which makes measurements of g1 in this region uniquely interesting. As part of a large program of spin structure function measurements with CLAS at Jefferson Lab, the EG4 experiment measured the polarized cross section difference (between the cases of longitudinally polarized electron beam and proton/deuteron target having parallel and antiparallel spins) down to about 7 degrees in the scattering angles. From these differences, g1 can be extracted, with minimal model uncertainties, down to Q2 as low as 0.01 GeV2. We will discuss the experiment and the status of its analysis and present preliminary results. Supported by DOE grant DEFG0296ER40960.

  9. 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.

  10. In-situ EXAFS study of nucleation process of CdSe nanocrystals

    NASA Astrophysics Data System (ADS)

    Sun, Z. H.; Oyanagi, H.; Uehara, M.; Yamashita, K.; Fukano, A.; Maeda, H.

    2009-11-01

    An in-situ EXAFS method is developed to study the nucleation and growth processes of nanocrystals by using a microfluidic reactor which converts the time-dependent kinetics to position-dependence. As an example, we measured the Se K-edge EXAFS spectra for CdSe nanocrystals along a microfluidic reactor channel and indicated strong time-dependence of the nucleation and growth at the beginning of the reaction. A rapid increase of the reaction yield within several seconds was observed. It is found that after injection of starting materials, the nucleation occurs abruptly and the CdSe nuclei concentration reaches the maximum and then declines rapidly.

  11. In Situ Studies on the Irradiation-Induced Twin Boundary-Defect Interactions in Cu

    NASA Astrophysics Data System (ADS)

    Fan, C.; Li, Jin; Fan, Zhe; Wang, H.; Zhang, X.

    2017-08-01

    Polycrystalline Cu films with nanoscale annealing twins are subjected to in situ Kr++ ion irradiation at room temperature inside a transmission electron microscope up to a dose of 1 displacement-per-atom. Radiation induces prominent migration of incoherent twin boundaries. Depending on twin thickness, three types of twin boundary evolutions are observed, including rapid detwinning, gradual detwinning, and self-healing. The mechanism of twin thickness-dependent evolution of microstructures is discussed. This study provides further evidence on twin boundary-defect interactions and may assist the design of radiation-tolerant twinned metallic materials.

  12. 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.

  13. In situ Hall-effect system for real-time electron-irradiation studies

    SciTech Connect

    Ziebro, B.S.; Look, D.C.; Hemsky, J.W.; Rice, W. )

    1990-01-01

    A unique system capable of taking {ital in} {ital situ} Hall-effect measurements during electron irradiation has been developed. The key element is a small, powerful rare-earth magnet. Measurements can be taken while the electron beam is on, resulting in a considerable time savings and eliminating problems associated with mounting and demounting the sample. High resolution electron concentration and mobility versus fluence data are quickly and easily obtained, making possible detailed defect production rate studies as functions of energy and flux.

  14. In situ and laboratory studies of bacterial survival using a microporous membrane sandwich.

    PubMed Central

    Granai, C; Sjogren, R E

    1981-01-01

    A new device and procedure for the study of bacterial survival in an aquatic environment are described. The device uses two appressed presterilized microporous membranes to expose a bacterial cell suspension to the environment at a cell concentration that closely resembles those levels found in natural aquatic ecosystems. The device has been used under laboratory controlled conditions and in situ to study and compare bacterial survival times. In laboratory studies, Escherichia coli and Streptococcus faecalis survived the longest at 12 degrees C, pH 5, and in the presence of iron or calcium ions and cysteine. Cells in mid-stationary growth phase survived longer than those in mid- or late-logarithmic phase, whereas those maintained for a year or more as stock cultures survived for shorter period of time than did recent environmental isolates. In situ studies indicate that 5% of the starting number of E. coli and S. faecalis cells may survive longer than 96 h at 16 degrees C in potable lake water, whereas survival times in polluted lake water were approximately 12 h. PMID:6784669

  15. An in situ study of the hydriding kinetics of Pd thin films.

    PubMed

    Delmelle, Renaud; Proost, Joris

    2011-06-21

    The hydriding kinetics of Pd thin films has been investigated in detail. The in situ experimental technique used in this work consists of a high resolution curvature measurement setup, which continuously monitors the reflections of multiple laser beams reflecting off a cantilevered sample. After mounting the sample inside a vacuum chamber, a H-containing gas mixture is introduced to instantaneously generate a given hydrogen partial pressure (p(H(2))) inside the chamber. The resulting interaction of hydrogen with the Pd layer then leads to a volume expansion of the thin film system. This induces in turn changes in the sample curvature as a result of internal stresses developing in the Pd film during a hydriding cycle. Based on such in situ curvature data, three different kinetic regimes have been resolved. The first two exhibited a linear increase of the internal stress in the compressive direction with time. A systematic study of the p(H(2))-dependency of the two constant slopes was performed, based on newly derived constitutive kinetic equations. This resulted in the identification of the first linear regime to be limited by absorption and the second one by adsorption. After adsorption equilibrium is reached at the end of the second regime, a third, non-linear kinetic regime, limited by absorption, was found to precede the final hydriding equilibrium. This switch back to absorption-limited kinetics likely occurs due to a coverage dependent change in the adsorption enthalpy of the surface hydrogen. Furthermore, from our in situ experimental data, relevant kinetic and thermodynamic hydriding parameters have been derived. As a result, this study was able to provide a self-consistent quantitative interpretation of the entire Pd room temperature hydriding cycle in the alpha-phase domain.

  16. Signet-ring cell lymphoma: clinicopathologic, immunohistochemical, and fluorescence in situ hybridization studies of 7 cases.

    PubMed

    Zhang, Shanxiang; Sun, Jihong; Fang, Yanan; Nassiri, Mehdi; Liu, Lanting; Zhou, Jiehao; Stohler, Ryan; Choi, Haki; Vance, Gail H

    2017-02-01

    Signet-ring cell lymphoma (SRCL) is a rare morphologic variant of non-Hodgkin lymphoma. Although it was initially reported as a rare morphologic variant of follicular lymphoma (FL), SRCL has to date been described in most types of non-Hodgkin lymphoma, mostly as single-case reports. To study SRCL systematically by immunohistochemical stains and fluorescent in situ hybridization analyses. Seven SRCL cases were stained for CD3, CD5, CD20, PAX-5, CD10, CD21, CD23, cyclin D1, BCL2, BCL6, Ki-67, and MUM-1, and were analyzed by fluorescent in situ hybridization for BCL2, BCL6, MYC, and MALT1 rearrangements. Clinical information and patient outcome were reviewed in all patients. The patients were 3 women and 3 men, ranging in age from 31 to 75 years (average 60.3 years). The lesions involved lymph nodes, tonsil, parotid gland, soft tissue, and breast. There were 4 FLs, 1 diffuse large B-cell lymphoma (DLBCL), 1 DLBCL with FL, and 1 DLBCL with marginal zone lymphoma. All cases had typical signet-ring cell morphology. They were positive for CD20 and BCL-2, and had low-to-intermediate Ki-67 proliferation index (10%-40%) except in the parotid DLBCL with FL (70%). BCL-6 was detected in all but 1 FL (6/7). Fluorescent in situ hybridization detected IGH/BCL2 translocation in 1 FL, increased BCL6 copy number in another FL, BCL6 rearrangement, and increased copy number of MYC and MALT1 in the DLBCL with marginal zone lymphoma. The FL with signet-ring cell morphology (1/5) tends to lack IGH/BCL2 translocation, and an extended immunohistochemical study is recommended for correct diagnosis and classification of SRCL. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. Clinical in situ study investigating abrasive effects of two commercially available toothpastes.

    PubMed

    Giles, A; Claydon, N C A; Addy, M; Hughes, N; Sufi, F; West, N X

    2009-07-01

    The aim of this study was to determine if the abrasive effect on dentine of two commercially available toothpastes, known to vary in their in vitro abrasive levels, can be differentiated in an in situ model after 10 days, assessed by contact profilometry. This was a single centre, single blind, randomized, split mouth, two treatment, in situ study, in 34 healthy subjects, evaluating the abrasive effects of two marketed desensitizing toothpastes, (Colgate Sensitive Multi Protection toothpaste - C; Sensodyne Total Protection - S). Subjects wore bi-lateral, lower buccal appliances, each fitted with four dentine sections which were power brushed three times a day with the treatment regimen. Each subject received two toothpaste treatments for 10 days during the treatment period. Samples were measured at baseline and day 10 by contact and non-contact profilometry and day 5 by contact profilometry. Thirty-four subjects were included in the efficacy analysis. Results from contact profilometry showed statistically significant (P < 0.0001) dentine loss compared to baseline at day 5 and 10 for both pastes. At each time point, C showed statistically significantly greater dentine loss than S, P < 0.0001. After 10 days treatment, the difference in dentine loss between the pastes was 1.4 microm. The non-contact profilometry data showed similar trends. After 10 days of treatment, C showed statistically significantly greater dentine loss than S, with treatment difference of 0.9 microm, P = 0.0057. The methodology used has successfully differentiated between the abrasivity of the two pastes in respect of dentine surface loss over time in an in situ environment.

  18. In situ forming implants for the delivery of metronidazole to periodontal pockets: formulation and drug release studies.

    PubMed

    Kilicarslan, Muge; Koerber, Martin; Bodmeier, Roland

    2014-05-01

    This study was performed to obtain prolonged drug release with biodegradable in situ forming implants for the local delivery of metronidazole to periodontal pockets. The effect of polymer type (capped and uncapped PLGA), solvent type (water-miscible and water-immiscible) and the polymer/drug ratio on in vitro drug release studies were investigated. In situ implants with sustained metronidazole release and low initial burst consisted of capped PLGA and N-methyl-2-pyrolidone as solvent. Mucoadhesive polymers were incorporated into the in situ implants in order to modify the properties of the delivery systems towards longer residence times in vivo. Addition of the polymers changed the adhesiveness and increased the viscosity and drug release of the formulations. However, sustained drug release over 10 days was achievable. Biodegradable in situ forming implants are therefore an attractive delivery system to achieve prolonged release of metronidazole at periodontal therapy.

  19. 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

  20. Structure functions at large Bjorken x and the Transition between perturbative and non-perturbative QCD

    SciTech Connect

    Liuti, S.; Bianchi, N.; Fantoni, A.

    2005-10-06

    We study both polarized and unpolarized proton structure functions in the kinematical region of large Bjorken x and four-momentum tranfer of few GeV2, characterized by the phenomenon of parton-hadron duality between the smooth continuation of the deep inelastic scattering curve and the average of the nucleon resonances which dominate this region. We present results on a perturbative-QCD analysis using recent accurate data aimed at extracting the infrared behavior of the nucleon structure functions.

  1. 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.

  2. In situ study of the gelatinase activity in demineralized dentin from rat molar teeth.

    PubMed

    Pessoa, Juliana Isabelita Cyrino; Guimarães, Gustavo Narvaes; Viola, Naiana Viana; da Silva, Wander José; de Souza, Ana Paula; Tjäderhane, Leo; Line, Sergio Roberto; Marques, Marcelo Rocha

    2013-04-01

    Matrix metalloproteinases (MMPs) in dentin are believed to participate in various physiological and pathological events in coronal dentin, but their exact source and location is not clear. The purpose of this study was to evaluate the activity of gelatinases in decalcified rat molars crowns by in situ zymography. Hemi-mandibles of five male Wistar rats were fixed in paraformaldehyde, decalcified in EDTA and glycerol solution and embedded in paraffin. Sections from the region of molar teeth were incubated with or without DQ gelatin in 50mM Tris-CaCl2 at 37°C for 2h and observed by means of confocal microscopy. Gelatinolytic activity was observed throughout the coronal dentin with varying intensities in different locations. High gelatinase activity was observed in the dentinal tubules, dentin-enamel junction (DEJ) and predentin, and it was weaker and less uniform in the intertubular dentin. This study shows that the location of gelatinase and relative activity can be detected by means of in situ zymography and confocal microcopy, and this methodology may provide a useful tool in studies on the role of gelatinases in tooth development, maturation and in pathological conditions. Copyright © 2012 Elsevier GmbH. All rights reserved.

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

    SciTech Connect

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

    2014-12-11

    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.

  4. A flexible gas flow reaction cell for in situ x-ray absorption spectroscopy studies

    SciTech Connect

    Kroner, Anna B. Gilbert, Martin; Duller, Graham; Cahill, Leo; Leicester, Peter; Woolliscroft, Richard; Shotton, Elizabeth J.; Mohammed, Khaled M. H.

    2016-07-27

    A capillary-based sample environment with hot air blower and integrated gas system was developed at Diamond to conduct X-ray absorption spectroscopy (XAS) studies of materials under time-resolved, in situ conditions. The use of a hot air blower, operating in the temperature range of 298-1173 K, allows introduction of other techniques e.g. X-ray diffraction (XRD), Raman spectroscopy for combined techniques studies. The flexibility to use either quartz or Kapton capillaries allows users to perform XAS measurement at energies as low as 5600 eV. To demonstrate performance, time-resolved, in situ XAS results of Rh catalysts during the process of activation (Rh K-edge, Ce L{sub 3}-edge and Cr K-edge) and the study of mixed oxide membrane (La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ}) under various partial oxygen pressure conditions are described.

  5. 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.

  6. In Situ Ca2+ Titration in the Fluorometric Study of Intracellular Ca2+ Binding

    PubMed Central

    McMahon, Shane M.; Jackson, Meyer B.

    2014-01-01

    Imaging with Ca2+-sensitive fluorescent dye has provided a wealth of insight into the dynamics of cellular Ca2+ signaling. The spatiotemporal evolution of intracellular free Ca2+ observed in imaging experiments is shaped by binding and unbinding to cytoplasmic Ca2+ buffers, as well as the fluorescent indicator used for imaging. These factors must be taken into account in the interpretation of Ca2+ imaging data, and can be exploited to investigate endogenous Ca2+ buffer properties. Here we extended the use of Ca2+ fluorometry in the characterization of Ca2+ binding molecules within cells, building on a method of titration of intracellular Ca2+ binding sites in situ with measured amounts of Ca2+ entering through voltage-gated Ca2+ channels. We developed a systematic procedure for fitting fluorescence data acquired during a series of voltage steps to models with multiple Ca2+ binding sites. The method was tested on simulated data, and then applied to 2-photon fluorescence imaging data from rat posterior pituitary nerve terminals patch clamp-loaded with the Ca2+ indicator fluo-8. Focusing on data sets well described by a single endogenous Ca2+ buffer and dye, this method yielded estimates of the endogenous buffer concentration and Kd, the dye Kd, and the fraction of Ca2+ inaccessible cellular volume. The in situ Kd of fluo-8 thus obtained was indistinguishable from that measured in vitro. This method of calibrating Ca2+-sensitive fluorescent dyes in situ has significant advantages over previous methods. Our analysis of Ca2+ titration fluorometric data makes more effective use of the experimental data, and provides a rigorous treatment of multivariate errors and multiple Ca2+ binding species. This method offers a versatile approach to the study of endogenous Ca2+ binding molecules in their physiological milieu. PMID:25465896

  7. 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

  8. Interhemispheric study of polar cap patch occurrence based on Swarm in situ data

    NASA Astrophysics Data System (ADS)

    Spicher, A.; Clausen, L. B. N.; Miloch, W. J.; Lofstad, V.; Jin, Y.; Moen, J. I.

    2017-03-01

    The Swarm satellites offer an unprecedented opportunity for improving our knowledge about polar cap patches, which are regarded as the main space weather issue in the polar caps. We present a new robust algorithm that automatically detects polar cap patches using in situ plasma density data from Swarm. For both hemispheres, we compute the spatial and seasonal distributions of the patches identified separately by Swarm A and Swarm B between December 2013 and August 2016. We show a clear seasonal dependency of patch occurrence. In the Northern Hemisphere (NH), patches are essentially a winter phenomenon, as their occurrence rate is enhanced during local winter and very low during local summer. Although not as pronounced as in the NH, the same pattern is seen for the Southern Hemisphere (SH). Furthermore, the rate of polar cap patch detection is generally higher in the SH than in the NH, especially on the dayside at about 77° magnetic latitude. Additionally, we show that in the NH the number of patches is higher in the postnoon and prenoon sectors for interplanetary magnetic field (IMF) By<0 and IMF By>0, respectively, and that this trend is mirrored in the SH, consistent with the ionospheric flow convection. Overall, our results confirm previous studies in the NH, shed more light regarding the SH, and provide further insight into polar cap patch climatology. Along with this algorithm, we provide a large data set of patches automatically detected with in situ measurements, which opens new horizons in studies of polar cap phenomena.

  9. 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.

  10. In situ, simultaneous thermal imaging and infrared molecular emission studies of solid oxide fuel cell electrodes

    NASA Astrophysics Data System (ADS)

    Kirtley, J. D.; Qadri, S. N.; Steinhurst, D. A.; Owrutsky, J. C.

    2016-12-01

    Various in situ probes of solid oxide fuel cells (SOFCs) have advanced recently to provide detailed, real time data regarding materials and chemical processes that relate to device performance and degradation. These techniques offer insights into complex fuel chemistry at the anode in particular, especially in the context of model predictions. However, cell-to-cell variations can hinder mechanistic interpretations of measurements from separate, independent techniques. The present study describes an in situ technique that for the first time simultaneously measures surface temperature changes using near infrared thermal imaging and gas species using Fourier-transform infrared emission spectra at the anodes of operating SOFCs. Electrolyte-supported SOFCs with Ni-based anodes are operated at 700 °C with internal, dry-reformed methane at 75% maximum current and at open circuit voltage (OCV) while electrochemical and optical measurements are collected. At OCV, more cooling is observed coincident with more CO reforming products. Under load, CO decreases while the anode cools less, especially near the current collectors. The extent of cooling is more sensitive to polarization for electrolyte-supported cells because their anodes are thinner relative to anode-supported cells. This study exemplifies how this duplex technique can be a useful probe of electrochemical processes in SOFCs.

  11. Study on in situ and real-time observation during process of SCN crystal growth

    NASA Astrophysics Data System (ADS)

    Lei, Songhe; Chen, Changle; Duan, Mengmeng

    2006-02-01

    Crystal growth is dynamic coupling of transportation process and growth process between interfaces. Convection during crystal growth will tend to changes of liquation component and the defect of impurity stripe. The convection and stability should further be studied to obtain the crystal of high quality. It is necessary to obtain surface configuration and distribution of temperature around liquation phase and solute concentration. The technique of in-situ and real-time observation is a brand new technique, which is widely applied to production and scientific research. Information of crystal growth will be obtained from the observation. But the in-situ and real-time observation is uncharitableness for the experiment equipment, some conditions matched to the character of crystal must be provided. In the paper a design with ingenious and cheap crystal growth cell and circulation system of constant-temperature water which is suitable for the experiment of observation is developed, and a combined light path based on the technique of flowing visualization is designed to match to the crystal cell. The combined light path which is made up of the schlieren method and the principle of Mach-zehnder interference is non destructive, high sensitivity and observable, so it is an effective method to study the crystal growth.

  12. In situ microcalorimetry study of ZnFe2O4 nanoparticle formation under solvothermal conditions.

    PubMed

    Liu, Jun; Nan, Zhaodong; Gao, Shengli

    2015-10-21

    Solvothermal methods have been widely used to synthesize different kinds of materials. However, only little is known about how precursor solutions react to form solid precipitates via this method. In the present study, in situ microcalorimetry is first used to investigate the formation mechanism under solvothermal conditions, where ZnFe2O4 synthesized using a solvothermal method was selected as the model sample. Some novel results are obtained, such as with the experimental temperature increase, (1) the homogeneous solution transforms to a gel containing amorphous Fe2(C2H4O2)3 and ZnC2H4O2, and NaNO3 crystals; (2) the gel dissolves; (3) α-(Fe,Zn)OOH and α-Fe2O3 are synthesized; (4) the α-(Fe,Zn)OOH transforms to α-Fe2O3; (5) Fe(2+) is formed at about 159 °C, which acts as a catalyst for the formation of Fe3O4; (6) the Fe3O4 crystals are synthesized at about 200 °C; (7) the Fe3O4 is transformed to the ZnFe2O4 with the help of NO3(-), and the reaction was kept at 200 °C for about 20 h. This study shows a facile in situ method for the investigation of reaction processes of solvothermal methods.

  13. 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.

  14. 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

  15. 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.

  16. IN SITU STUDIES OF CORROSION USING X-RAY ABSORPTION NEAR SPECTROSCOPY (XANES)

    SciTech Connect

    ISAACS, H.S.; SCHMUKI, P.; VIRTANEN, S.

    2001-03-25

    Applications of x-ray absorption near-edge spectroscopy (XANES) and the design of cells for in situ corrosion studies are reviewed. Passive films studies require very thin metal or alloy layers be used having a thickness of the order of the films formed because of penetration of the x-ray beam into the metal substrate. The depth of penetration in water also limits the thickness of solutions that can be used because of water reduces the x-ray intensity. Solution thickness must also be limited in studies of conversion layer formation studies because the masking of the Cr in solution. Illustrative examples are taken from the anodic behavior of Al-Cr alloys, the growth of passive films on Fe and stainless steels, and the formation of chromate conversion layers on Al.

  17. In situ vitrification: Numerical studies of coupled heat transfer and viscous flow processes

    SciTech Connect

    Carey, G.F.; MacKinnon, R.J.; Murray, P.E.

    1990-09-01

    This report describes the formulation, results and conclusions of a series of numerical studies performed to support the Idaho National Engineering Laboratory (INEL) In Situ Vitrification (ISV) treatability study. These studies were designed to explore some of the questions related to the dominant physical phenomena associated with the coupled electric field, heat transfer, and fluid flow processes. The work examines the case of a 3-D axisymmetric problem with a central electrode. Such issues as the form of an electric heating model, choice of boundary conditions, latent heat effects, and conductive and convective transport are considered. Some important conclusions and recommendations are made in relation to the convective effects, determination of property parameters, and the issue of a valid electrical heating model. 4 refs., 100 figs., 1 tab.

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

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

    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.

  19. An in situ SEM experimental study of the thermal stability of a LAST thermoelectric material

    SciTech Connect

    Ren, Fei; Howe, Jane Y; Walker, Larry R; Case, Eldon D; Lara-Curzio, Edgar

    2011-01-01

    Thermal stability is a key factor affecting the deployment of thermoelectric (TE) materials in the application of power generation. LAST (Lead-Antimony-Silver-Tellurium) is an emerging material with promising TE properties. The current study focused on the thermal stability of a LAST composition Ag0.86Pb19SbTe20 fabricated from a cast ingot. Using a customized heating stage, the morphology of LAST particles was studied via scanning electron microscopy (SEM) in situ, between room temperature and 575oC. The LAST material included in this study was stable below 550oC. The inclusion phase, which was antimony-rich, has a lower thermal stability than the PbTe-rich matrix. The SEM finding was also consistent with a thermogravimetrtic analysis.

  20. 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

    2014-09-10

    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.

  1. Human Microtumors Generated in 3D: Novel Tools for Integrated In Situ Studies of Cancer Immunotherapies.

    PubMed

    Hambach, Lothar; Buser, Andreas; Vermeij, Marcel; Pouw, Nadine; van der Kwast, Theo; Goulmy, Els

    2016-01-01

    Cellular immunotherapy targeting human tumor antigens is a promising strategy to treat solid tumors. Yet clinical results of cellular immunotherapy are disappointing. Moreover, the currently available in vitro human tumor models are not designed to study the optimization of T-cell therapies of solid tumors. Here, we describe a novel assay for multiparametric in situ analysis of therapeutic effects on individual human three-dimensional (3D) tumors. In this assay, tumors of several millimeter diameter are generated from human cancer cell lines of different tumor entities in a collagen type I microenvironment. A newly developed approach for efficient morphological analysis reveals that these in vitro tumors resemble many characteristics of the corresponding clinical cancers such as histological features, immunohistochemical staining patterns, distinct tumor growth compartments and heterogeneous protein expression. To assess the response to therapy with tumor antigen specific T-cells, standardized protocols are described to determine T-cell infiltration and tumor destruction by monitoring soluble factors and tumor growth. Human tumors engineered in 3D collagen scaffolds are excellent in vitro surrogates for avascular tumor stages allowing integrated analyses of the antitumor efficacy of cancer specific immunotherapy in situ.

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

    PubMed

    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

    2015-06-17

    The protein-adsorbing and -repelling properties of various smart nanometer-thin polymer brushes containing poly(N-isopropylacrylamide) and poly(acrylic acid) with high potential for biosensing and biomedical applications are studied by in situ infrared-spectroscopic ellipsometry (IRSE). IRSE is a highly sensitive nondestructive technique that allows protein adsorption on polymer brushes to be investigated in an aqueous environment as external stimuli, such as temperature and pH, are varied. These changes are relevant to conditions for regulation of protein adsorption and desorption for biotechnology, biocatalysis, and bioanalytical applications. Here brushes are used as model surfaces for controlling protein adsorption of human serum albumin and human fibrinogen. The important finding of this work is that IRSE in the in situ experiments in protein solutions can distinguish between contributions of polymer brushes and proteins. The vibrational bands of the polymers provide insights into the hydration state of the brushes, whereas the protein-specific amide bands are related to changes of the protein secondary structure.

  3. Fatty acid profile of the initial oral biofilm (pellicle): an in-situ study.

    PubMed

    Reich, Marco; Kümmerer, Klaus; Al-Ahmad, Ali; Hannig, Christian

    2013-09-01

    The first step of bioadhesion on dental surfaces is the formation of the acquired pellicle. This mainly acellular layer is formed instantaneously on all solid surfaces exposed to oral fluids. It is composed of proteins, glycoproteins and lipids. However, information on the lipid composition is sparse. The aim of the present study was to evaluate the fatty acid (FA) profile of the in-situ pellicle for the first time. Furthermore, the impact of rinses with safflower oil on the pellicle's FA composition was investigated. Pellicles were formed in situ on bovine enamel slabs mounted on individual upper jaw splints. The splints were carried by ten subjects over durations of 3-240 min. After comprehensive sample preparation, gas chromatography coupled with electron impact ionization mass spectrometry (GC-EI/MS) was used in order to characterize qualitatively and quantitatively a wide range of FA (C12-C24). The relative FA profiles of the pellicle samples gained from different subjects were remarkably similar, whereas the amount of FA showed significant interindividual variability. An increase in FA in the pellicle was observed over time. The application of rinses with safflower oil resulted in an accumulation of its specific FA in the pellicle. Pellicle formation is a highly selective process that does not correlate directly with salivary composition, as shown for FA.

  4. 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

  5. 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

  6. Prevention of dental erosion of a sports drink by nano-sized hydroxyapatite in situ study.

    PubMed

    Min, Ji Hyun; Kwon, Ho Keun; Kim, Baek Il

    2015-01-01

    To evaluate the inhibitory effects of the sports drink containing nano-sized hydroxyapatite (nano-HA) on dental erosion in situ. The study had a single-blind, two-treatment crossover design. The two treatment groups were a control group (CG; Powerade only) and an experimental group (EG; 0.25% wt/vol nano-HA was added to Powerade). Ten subjects wore removable palatal appliances containing bovine enamel specimens. The appliances were immersed in each drink for 10 mins, 4 times a day for 10 days. The tooth surface microhardness (SMH) was tested, and the erosion depth and the morphology of the tooth surface were observed. The data were analysed by repeated measures anova and t-test. Between the baseline and the 10th day, SMH was decreased by 80% in the specimens of the CG (P < 0.001), whereas there was only a 6% decrease in the SMH of the specimens in the EG. An erosion depth of 12.70 ± 4.66 μm and an irregular tooth surface were observed on the 10th day in the specimens of the CG. No dental erosions, however, was observed in the specimens of the EG. The sports drink containing 0.25% nano-HA was effective in preventing dental erosion in situ. © 2014 BSPD, IAPD and John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. In situ infrared (FTIR) study of the mechanism of the borohydride oxidation reaction.

    PubMed

    Concha, B Molina; Chatenet, M; Maillard, F; Ticianelli, E A; Lima, F H B; de Lima, R B

    2010-10-07

    Early reports stated that Au was a catalyst of choice for the BOR because it would yield a near complete faradaic efficiency. However, it has recently been suggested that gold could yield to some extent the heterogeneous hydrolysis of BH, therefore lowering the electron count per BH, especially at low potential. Actually, the blur will exist regarding the BOR mechanism on Au as long as no physical proof regarding the reaction intermediates is not put forward. In that frame, in situ physical techniques like FTIR exhibit some interest to study the BOR. Consequently, in situ infrared reflectance spectroscopy measurements (SPAIRS technique) have been performed in 1 M NaOH/1 M NaBH(4) on a gold electrode with the aim to detect the intermediate species. We monitored several bands in B-H (nu ∼ 1180, 1080 and 972 cm(-1)) and B-O bond regions (nu = 1325 and ∼1425 cm(-1)), which appear sequentially as a function of the electrode polarization. These absorption bands are assigned to BH(3), BH(2) and BO species. At the light of the experimental results, possible initial elementary steps of the BOR on gold electrode have been proposed and discussed according to the relevant literature data.

  8. Studies on In situ Hydrogel: A Smart Way for Safe and Sustained Ocular Drug Delivery

    PubMed Central

    Shastri, DH; Patel, LD; Parikh, RK

    2010-01-01

    The present work describes the formulation development of ophthalmic in situ gelling system using thermo-reversible gelling polymer, i.e. Pluronic F 127 (PF127). Because of high concentration (20 to 25%w/v) of this polymer required for in situ gelation causes irritation to the eye. So, to reduce this concentration, an attempt was made to combine the PF127 with other polymers like hydroxy propyl methyl cellulose (HPMC) as a viscosity increasing agent or with polymers like carbopol 940, xanthan gum, and sodium alginate (high glucuronic acid content) showing a pH and cation-triggered sol-gel transition, respectively. Different batches were prepared of varying concentrations of these polymers with PF127 using cromolyn sodium 2%w/v in phosphate buffer pH 5.0. The formulations were optimized by the viscosity measurement and in vitro gelation study. Selected formulations were evaluated for in vitro drug release profile and indicated sustain drug release over a period of 10 h. Effect of sterilization on drug content, pH, clarity, and viscosity were also evaluated. Finally, we concluded that by using this type of combination system, we could reduce not only the concentration of individual polymers but also the side effects without compromising the in vitro gelling capacity as well as overall rheology of the system. PMID:21264112

  9. Studies on In situ Hydrogel: A Smart Way for Safe and Sustained Ocular Drug Delivery.

    PubMed

    Shastri, Dh; Patel, Ld; Parikh, Rk

    2010-04-01

    The present work describes the formulation development of ophthalmic in situ gelling system using thermo-reversible gelling polymer, i.e. Pluronic F 127 (PF127). Because of high concentration (20 to 25%w/v) of this polymer required for in situ gelation causes irritation to the eye. So, to reduce this concentration, an attempt was made to combine the PF127 with other polymers like hydroxy propyl methyl cellulose (HPMC) as a viscosity increasing agent or with polymers like carbopol 940, xanthan gum, and sodium alginate (high glucuronic acid content) showing a pH and cation-triggered sol-gel transition, respectively. Different batches were prepared of varying concentrations of these polymers with PF127 using cromolyn sodium 2%w/v in phosphate buffer pH 5.0. The formulations were optimized by the viscosity measurement and in vitro gelation study. Selected formulations were evaluated for in vitro drug release profile and indicated sustain drug release over a period of 10 h. Effect of sterilization on drug content, pH, clarity, and viscosity were also evaluated. Finally, we concluded that by using this type of combination system, we could reduce not only the concentration of individual polymers but also the side effects without compromising the in vitro gelling capacity as well as overall rheology of the system.

  10. An implication of novel methodology to study pancreatic acinar mitochondria under in situ conditions.

    PubMed

    Manko, Bohdan O; Klevets, Myron Yu; Manko, Volodymyr V

    2013-03-01

    Mitochondria maintain numerous energy-consuming processes in pancreatic acinar cells, yet characteristics of pancreatic mitochondrial oxidative phosphorylation in native conditions are poorly studied. Besides, it is not known which type of solution is most adequate to preserve functions of pancreatic mitochondria in situ. Here we propose a novel experimental protocol suitable for in situ analysis of pancreatic mitochondria metabolic states. Isolated rat pancreatic acini were permeabilized with low doses of digitonin. Different metabolic states of mitochondria were examined in KCl- and sucrose-based solutions using Clark oxygen electrode. Respiration of digitonin-treated, unlike of intact, acini was substantially intensified by succinate or mixture of pyruvate plus malate. Substrate-stimulated respiration rate did not depend on solution composition. In sucrose-based solution, oligomycin inhibited State 3 respiration at succinate oxidation by 65.4% and at pyruvate plus malate oxidation by 60.2%, whereas in KCl-based solution, by 32.0% and 36.1%, respectively. Apparent respiratory control indices were considerably higher in sucrose-based solution. Rotenone or thenoyltrifluoroacetone severely inhibited respiration, stimulated by pyruvate plus malate or succinate, respectively. This revealed low levels of non-mitochondrial oxygen consumption of permeabilized acinar cells. These results suggest a stronger coupling between respiration and oxidative phosphorylation in sucrose-based solution.

  11. 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.

  12. 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.

  13. In Situ TEM Study of Interaction between Dislocations and a Single Nanotwin under Nanoindentation.

    PubMed

    Wang, Bo; Zhang, Zhenyu; Cui, Junfeng; Jiang, Nan; Lyu, Jilei; Chen, Guoxin; Wang, Jia; Liu, Zhiduo; Yu, Jinhong; Lin, Chengte; Ye, Fei; Guo, Dongming

    2017-09-06

    Nanotwinned (nt) materials exhibit excellent mechanical properties, and have been attracting much more attention of late. Nevertheless, the fundamental mechanism of interaction between dislocations and a single nanotwin is not understood. In this study, in situ transmission electron microscopy (TEM) nanoindentation is performed, on a specimen of a nickel (Ni) alloy containing a single nanotwin of 89 nm in thickness. The specimen is prepared using focused ion beam (FIB) technique from an nt surface, which is formed by a novel approach under indentation using a developed diamond panel with tips array. The stiffness of the specimen is ten times that of the pristine counterparts during loading. The ultrahigh stiffness is attributed to the generation of nanotwins and the impediment of the single twin to the dislocations. Two peak loads are induced by the activation of a new slip system and the penetration of dislocations over the single nanotwin, respectively. One slip band is parallel to the single nanotwin, indicating the slip of dislocations along the nanotwin. In situ TEM observation of nanoindentation reveals a new insight for the interaction between dislocations and a single nanotwin. This paves the way for design and preparation of high-performance nt surfaces of Ni alloys used for aircraft engines, gas turbines, turbocharger components, ducts, and absorbers.

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

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

    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.

  15. 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.

  16. 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.

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

    PubMed Central

    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

  18. 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.

  19. Moments of Spin Structure Functions: Sum Rules and Polarizabilities

    SciTech Connect

    Jian-Ping Chen

    2010-10-01

    Nucleon structure study is one of the most important research areas in modern physics and has challenged us for decades. Spin has played an essential role and often brought surprises and puzzles to the investigation of the nucleon structure and the strong interaction. New experimental data on nucleon spin structure at low to intermediate momentum transfers combined with existing high momentum transfer data offer a comprehensive picture in the strong region of the interaction and of the transition region from the strong to the asymptotic-free region. Insight for some aspects of the theory for the strong interaction, Quantum Chromodynamics (QCD), is gained by exploring lower moments of spin structure functions and their corresponding sum rules (i.e. the Bjorken, Burkhardt-Cottingham, Gerasimov-Drell-Hearn (GDH), and the generalized GDH). These moments are expressed in terms of an operator-product expansion using quark and gluon degrees of freedom at moderately large momentum transfers.

  20. Circulating prolactin and in situ breast cancer risk in the European EPIC cohort: a case-control study.

    PubMed

    Tikk, Kaja; Sookthai, Disorn; Fortner, Renée T; Johnson, Theron; Rinaldi, Sabina; Romieu, Isabelle; Tjønneland, Anne; Olsen, Anja; Overvad, Kim; Clavel-Chapelon, Françoise; Baglietto, Laura; Boeing, Heiner; Trichopoulou, Antonia; Lagiou, Pagona; Trichopoulos, Dimitrios; Masala, Giovanna; Krogh, Vittorio; Tumino, Rosario; Ricceri, Fulvio; Mattiello, Amalia; Agudo, Antonio; Menéndez, Virginia; Sánchez, María-José; Amiano, Pilar; Chirlaque, Maria-Dolores; Barricarte, Aurelio; Bueno-de-Mesquita, H Bas; Monninkhof, Evelyn M; Onland-Moret, N Charlotte; Andresson, Anne; Sund, Malin; Weiderpass, Elisabete; Khaw, Kay-Tee; Key, Timothy J; Travis, Ruth C; Merritt, Melissa A; Riboli, Elio; Dossus, Laure; Kaaks, Rudolf

    2015-03-31

    The relationship between circulating prolactin and invasive breast cancer has been investigated previously, but the association between prolactin levels and in situ breast cancer risk has received less attention. We analysed the relationship between pre-diagnostic prolactin levels and the risk of in situ breast cancer overall, and by menopausal status and use of postmenopausal hormone therapy (HT) at blood donation. Conditional logistic regression was used to assess this association in a case-control study nested within the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort, including 307 in situ breast cancer cases and their matched control subjects. We found a significant positive association between higher circulating prolactin levels and risk of in situ breast cancer among all women [pre-and postmenopausal combined, ORlog2=1.35 (95% CI 1.04-1.76), Ptrend=0.03]. No statistically significant heterogeneity was found between prolactin levels and in situ cancer risk by menopausal status (Phet=0.98) or baseline HT use (Phet=0.20), although the observed association was more pronounced among postmenopausal women using HT compared to non-users (Ptrend=0.06 vs Ptrend=0.35). In subgroup analyses, the observed positive association was strongest in women diagnosed with in situ breast tumors<4 years compared to ≥4 years after blood donation (Ptrend=0.01 vs Ptrend=0.63; Phet=0.04) and among nulliparous women compared to parous women (Ptrend=0.03 vs Ptrend=0.15; Phet=0.07). Our data extends prior research linking prolactin and invasive breast cancer to the outcome of in situ breast tumours and shows that higher circulating prolactin is associated with increased risk of in situ breast cancer.

  1. Structure-Function Correlation of the Human Central Retina

    PubMed Central

    Charbel Issa, Peter; Troeger, Eric; Finger, Robert; Holz, Frank G.; Wilke, Robert; Scholl, Hendrik P. N.

    2010-01-01

    Background The impact of retinal pathology detected by high-resolution imaging on vision remains largely unexplored. Therefore, the aim of the study was to achieve high-resolution structure-function correlation of the human macula in vivo. Methodology/Principal Findings To obtain high-resolution tomographic and topographic images of the macula spectral-domain optical coherence tomography (SD-OCT) and confocal scanning laser ophthalmoscopy (cSLO), respectively, were used. Functional mapping of the macula was obtained by using fundus-controlled microperimetry. Custom software allowed for co-registration of the fundus mapped microperimetry coordinates with both SD-OCT and cSLO datasets. The method was applied in a cross-sectional observational study of retinal diseases and in a clinical trial investigating the effectiveness of intravitreal ranibizumab in macular telangietasia type 2. There was a significant relationship between outer retinal thickness and retinal sensitivity (p<0.001) and neurodegeneration leaving less than about 50 µm of parafoveal outer retinal thickness completely abolished light sensitivity. In contrast, functional preservation was found if neurodegeneration spared the photoreceptors, but caused quite extensive disruption of the inner retina. Longitudinal data revealed that small lesions affecting the photoreceptor layer typically precede functional detection but later cause severe loss of light sensitivity. Ranibizumab was shown to be ineffective to prevent such functional loss in macular telangietasia type 2. Conclusions/Significance Since there is a general need for efficient monitoring of the effectiveness of therapy in neurodegenerative diseases of the retina and since SD-OCT imaging is becoming more widely available, surrogate endpoints derived from such structure-function correlation may become highly relevant in future clinical trials. PMID:20877651

  2. Structure-function and regulation of ADAMTS13 protease

    PubMed Central

    Zheng, X. Long

    2013-01-01

    Summary ADAMTS13, a plasma reprolysin-like metalloprotease, cleaves von Willebrand factor (VWF). Severe deficiency of plasma ADAMTS13 activity results in thrombotic thrombocytopenic purpura (TTP), while mild to moderate deficiencies of plasma ADAMTS13 activity are emerging risk factors for developing myocardial and cerebral infarction, preeclampsia, and malignant malaria. Moreover, Adamts13−/− mice develop more severe inflammatory responses, leading to increased ischaemia/perfusion injury and formation of atherosclerosis. Structure-function studies demonstrate that the N-terminal portion of ADAMTS13 (MDTCS) is necessary and sufficient for proteolytic cleavage of VWF under various conditions and attenuation of arterial/venous thrombosis after oxidative injury. The more distal portion of ADAMTS13 (TSP1 2–8 repeats and CUB domains) may function as a disulphide bond reductase to prevent an elongation of ultra large VWF strings on activated endothelial cells and inhibit platelet adhesion/aggregation on collagen surface under flow. Remarkably, the proteolytic cleavage of VWF by ADAMTS13 is accelerated by FVIII and platelets under fluid shear stress. A disruption of the interactions between FVIII (or platelet glycoprotein 1bα) and VWF dramatically impairs ADAMTS13-dependent proteolysis of VWF in vitro and in vivo. These results suggest that FVIII and platelets may be physiological cofactors regulating VWF proteolysis. Finally, the structure-function and autoantibody mapping studies allow us to identify an ADAMTS13 variant with increased specific activity but reduced inhibition by autoantibodies in patients with acquired TTP. Together, these findings provide novel insight into the mechanism of VWF proteolysis and tools for the therapy of acquired TTP and perhaps other arterial thrombotic disorders. PMID:23809107

  3. Structure-function analysis of vitamin D and VDR model.

    PubMed

    Yamada, S; Yamamoto, K; Masuno, H

    2000-05-01

    In the first section, the general three-dimensional structure of the ligand-binding domain (LBD) of nuclear receptors (NR) was briefly described on the basis of their x-ray crystal structures. Emphasis was placed on the three major conformations of NR-LBD and their role in the transactivation function. In the second part, the structure-function relationship of vitamin D was analyzed based on the ligand structure, in particular by using systematic conformational analysis as a tool. On the basis of the conformational analysis of the vitamin D side chain and studies using conformationally restricted synthetic vitamin D analogs, we suggested the active space region concept of vitamin D: The vitamin D side-chain region was grouped into five regions (A, G, EA, EG and F). Activity orders, in terms of the spatial region, found by these studies are as follows: Affinity for vitamin D receptor (VDR), EA>A>F>G>EG; Affinity for vitamin D binding protein (DBP), A>G,EA, EG; Target gene transactivation, EA>F>A>EG G; Cell differentiation, EA>F>A>EG G; Bone calcium mobilization, EA>G A>F EG; Intestinal calcium absorption, EA=A G>EG. In the third section, homology modeling of VDR-LBD and docking of the natural ligand, 1,25-(OH)2D3, into the ligand binding cavity of the model are described. Amino acid residues forming hydrogen bonds with the biologically important 1alpha- and 25-OH groups were identified: 1alpha-OH forms a pincer-type hydrogen bond with R274 and S237 and 25-OH with H397. This VDR-LBD/1,25-(OH)2D3 docking model was firmly substantiated by mutation analysis. Using this VDR model, the structure-function relationship of highly potent vitamin D analogs was discussed.

  4. In situ X-ray diffraction study on the growth kinetics of NiO nanoparticles.

    PubMed

    Meneses, C T; Almeida, J M A; Sasaki, J M

    2010-05-01

    The growth kinetics of NiO nanoparticles have been studied by in situ X-ray diffraction using two detection systems (conventional and imaging plate). NiO nanoparticles were formed by thermal decomposition after heating of an amorphous compound formed by the coprecipitation method. It was found that the detection method using an imaging plate is more efficient than the conventional detection mode for observing changes in the crystallite growth of nanocrystalline materials. Studies have been carried out to investigate the effects of the heating rates on the particles growth. The results suggest that the growth process of the particles is accelerated when the samples are treated at low heating rates. The evolution of particles size and the diffusion coefficient obtained from X-ray powder diffraction patterns are discussed in terms of the thermal conditions for the two types of detection.

  5. In situ absorption and relative bioavailability studies of zaleplon loaded self-nanoemulsifying powders.

    PubMed

    Janga, Karthik Y; Jukanti, Raju; Sunkavalli, Sharath; Velpula, Ashok; Bandari, Suresh; Kandadi, Prabhakar; Veerareddy, Prabhakar Reddy

    2013-01-01

    Self-nanoemulsifying drug delivery systems (SNEDDSs) offer potential as suitable carriers for improved oral delivery of poorly soluble and low bioavailable drugs. To derive self-nanoemulsifying powders (SNEPs), the optimized Z-SNEDDS formulation was adsorbed onto different carriers and based on micromeritics the formulation loaded onto neusilin US2 (SNEP-N) was selected for further characterization. The solid-state characterization (scanning electron microscopy, differential scanning calorimetry and powder X-ray diffraction) studies unravel the transformation of native crystalline state to amorphous and/or molecular state. The higher predictive effective permeability coefficient and fraction absorbed in humans extrapolated from in situ single-pass intestinal absorption study data in rats provide an insight on the potential of SNEPs for augment in absorption across gastrointestinal barrier. Overall a 3.5-fold enhancement in the extent of absorption of zaleplon from SNEP-N formulation proves the feasibility of SNEPs formulation for improved oral delivery of zaleplon.

  6. In situ studies of strain dependent transport properties of conducting polymers on elastomeric substrates

    NASA Astrophysics Data System (ADS)

    Vijay, Venugopalan; Rao, Arun D.; Narayan, K. S.

    2011-04-01

    We report the changes in the surface electrical resistance, R, of conducting polymer, Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) films coated on appropriate flexible substrates in stretched conditions. These studies are important in the context of flexible organic electronic applications. In situ conductivity measurements on pristine PEDOT:PSS thin films on elastomeric substrates upon stretching reveal a minima in R as a function of strain, x, prior to the expected increase at higher strain levels. The studies emphasize (i) role of substrates, (ii) stress-induced anisotropic features, and temperature dependence of R (iii) in comparison of R(x) in polymer films to that of conventional metal films. The stress induced changes is modeled in terms of effective medium approximation.

  7. In situ synchrotron x-ray studies of ferroelectric thin films.

    SciTech Connect

    Fong, D. D.; Eastman, J. A.; Stephenson, G. B.; Fuoss, P. H.; Streiffer, S. K.; Thompson, C.; Auciello, O.; Materials Science Division; Northern Illinois Univ.

    2005-03-01

    In situ synchrotron X-ray scattering was used to observe both the growth of PbTiO{sub 3} films by metal-organic chemical vapor deposition and the behavior of the ferroelectric phase transition as a function of film thickness. The dependences of growth mode and deposition rate on gas flows and substrate temperature were determined by homoepitaxial growth studies on thick films (>50 nm). These studies facilitated the growth of thin coherently strained PbTiO{sub 3} films on SrTiO{sub 3} (001) substrates, with thicknesses ranging from 2 to 42 nm. Experiments on the ferroelectric phase transition as a function of film thickness were carried out in these films under controlled mechanical and electrical boundary conditions.

  8. 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.

  9. In situ/Operando studies of electrocatalysts using hard X-ray spectroscopy

    DOE PAGES

    Lassalle-Kaiser, Benedikt; Gul, Sheraz; Kern, Jan; ...

    2017-05-02

    This review focuses on the use of X-ray absorption and emission spectroscopy techniques using hard X-rays to study electrocatalysts under in situ/operando conditions. The importance and the versatility of methods in the study of electrodes in contact with the electrolytes are described, when they are being cycled through the catalytic potentials during the progress of the oxygen-evolution, oxygen reduction and hydrogen evolution reactions. The catalytic oxygen evolution reaction is illustrated with examples using three oxides, Co, Ni and Mn, and two sulfides, Mo and Co. These are used as examples for the hydrogen evolution reaction. A bimetallic, bifunctional oxygen evolvingmore » and oxygen reducing Ni/Mn oxide is also presented. The various advantages and constraints in the use of these techniques and the future outlook are discussed.« less

  10. 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.

  11. Orthorhombic boron oxide under pressure: In situ study by X-ray diffraction and Raman scattering

    NASA Astrophysics Data System (ADS)

    Cherednichenko, Kirill A.; Le Godec, Yann; Kalinko, Aleksandr; Mezouar, Mohamed; Solozhenko, Vladimir L.

    2016-11-01

    High-pressure phase of boron oxide, orthorhombic β-B2O3, has been studied in situ by synchrotron X-ray diffraction to 22 GPa and Raman scattering to 46 GPa at room temperature. The bulk modulus of β-B2O3 has been found to be 169(3) GPa that is in good agreement with our ab initio calculations. Raman and IR spectra of β-B2O3 have been measured at ambient pressure; all experimentally observed bands have been attributed to the theoretically calculated ones, and the mode assignment has been performed. Based on the data on Raman shift as a function of pressure, combined with equation-of-state data, the Grüneisen parameters of all experimentally observed Raman bands have been calculated. β-B2O3 enriched by 10B isotope has been synthesized, and the effect of boron isotopic substitution on Raman spectra has been studied.

  12. Structural function of C-terminal amidation of endomorphin. Conformational comparison of mu-selective endomorphin-2 with its C-terminal free acid, studied by 1H-NMR spectroscopy, molecular calculation, and X-ray crystallography.

    PubMed

    In, Yasuko; Minoura, Katsuhiko; Tomoo, Koji; Sasaki, Yusuke; Lazarus, Lawrence H; Okada, Yoshio; Ishida, Toshimasa

    2005-10-01

    To investigate the structural function of the C-terminal amide group of endomorphin-2 (EM2, H-Tyr-Pro-Phe-Phe-NH(2)), an endogenous micro-opioid receptor ligand, the solution conformations of EM2 and its C-terminal free acid (EM2OH, H-Tyr-Pro-Phe-Phe-OH) in TFE (trifluoroethanol), water (pH 2.7 and 5.2), and aqueous DPC (dodecylphosphocholine) micelles (pH 3.5 and 5.2) were investigated by the combination of 2D (1)H-NMR measurement and molecular modelling calculation. Both peptides were in equilibrium between the cis and trans rotamers around the Tyr--Pro w bond with population ratios of 1 : 1 to 1 : 2 in dimethyl sulfoxide, TFE and water, whereas they predominantly took the trans rotamer in DPC micelle, except in EM2OH at pH 5.2, which had a trans/cis rotamer ratio of 2 : 1. Fifty possible 3D conformers were generated for each peptide, taking different electronic states depending on the type of solvent and pH (neutral and monocationic forms for EM2, and zwitterionic and monocation forms for EM2OH) by the dynamical simulated annealing method, under the proton-proton distance constraints derived from the ROE cross-peak intensities. These conformers were then roughly classified into four groups of two open [reverse S (rS)- and numerical 7 (n7)-type] and two folded (F1- and F2-type) conformers according to the conformational pattern of the backbone structure. Most EM2 conformers in neutral (in TFE) and monocationic (in water and DPC micelles) forms adopted the open structure (mixture of major rS-type and minor n7-type conformers) despite the trans/cis rotamer form. On the other hand, the zwitterionic EM2OH in TFE, water and DPC micelles showed an increased population of F1- and F2-type folded conformers, the population of which varied depending on their electronic state and pH. Most of these folded conformers took an F1-type structure similar to that stabilized by an intramolecular hydrogen bond of (Tyr1)NH(3) (+)...COO(-)(Phe4), observed in its crystal structure

  13. An in situ study investigating dentine tubule occlusion of dentifrices following acid challenge.

    PubMed

    Olley, Ryan C; Pilecki, Peter; Hughes, Nathan; Jeffery, Peter; Austin, Rupert S; Moazzez, Rebecca; Bartlett, David

    2012-07-01

    To investigate the dentine occlusion and acid resistance of dentifrices developed to treat dentine hypersensitivity. This was a single centre, single blind, randomised, split mouth, four treatments, two period crossover, in situ study in healthy subjects. Subjects wore buccal intra-oral appliances each fitted with four dentine samples over four consecutive days with one study product applied per appliance; 8% strontium acetate in silica base, 1040 ppm sodium fluoride (Sensodyne(®) Rapid Relief), 8% arginine, calcium carbonate, 1450 ppm sodium monofluorophosphate (Colgate Sensitive Pro-Relief(®)), 1450 ppm sodium fluoride (control paste) and water. On days 3 and 4, two agitated grapefruit juice challenges (ex vivo) occurred for 1 min. At the end of each treatment day 1 dentine sample was removed from each appliance for scanning electron microscopy (SEM). The extent of tubule occlusion was measured using an examiner-based visual scoring index (three trained examiners). In total, 28 subjects ((12 males and 16 females with a mean age of 34.7 years (SD 8.41 years)) completed the study. On day 2, both test dentifrices demonstrated significantly better dentine tubule occlusion than water (p < 0.0001) and control paste (8% strontium p = 0.0003 and 8% arginine p = 0.0019). After 3 and 4 days of twice daily brushing with acid challenges on days 3 and 4 the strontium-based dentifrice demonstrated significantly better dentine occlusion than all other treatments (p < 0.0001). Strontium acetate and arginine-based dentifrice result in statistically significant dentine tubular occlusion compared to controls, but the arginine-based dentifrice is more susceptible to acid challenge. Erosive beverages are an important aetiology in DH by exposing dentine tubules. Their consumption has increased significantly over the past decade in the UK. This 4-day in situ study investigated the properties of commercially available dentifrices designed to occlude dentine tubules and their

  14. A Study of the Morbidity Involved in Whole Rib Harvesting and In Situ Splitting Rib Harvesting Surgery.

    PubMed

    Zhang, Lu; Sun, Xiao-Ming; Jin, Rong; Shi, Yao-Ming; Sun, Bao-Shan; Zhang, Ying; Zhang, Yu-Guang

    2016-06-01

    Although there have been several reports that detail the in situ rib splitting harvesting surgical procedure, there are limited published studies evaluating this procedure and the traditional whole rib harvesting approach. In this study, the authors conducted a retrospective controlled study on the complications related to the 2 rib harvesting approaches. From March 2012 to May 2014, 24 patients were treated with rib grating, of whom 9 patients received conventional rib harvesting surgery and 15 patients received in situ splitting harvesting surgery. In all patients, a 3-dimensional computed tomography study of the chest was performed 7 days postoperatively. Postoperative complications were assessed and postoperative pain was assessed using a visual analog scale after the first 24, 48, and 72 hours after the surgery. The complication rate for in situ splitting rib harvesting was 6.67% versus 44.44% for patients treated with whole rib grafting surgery. After 48 and 72 hours, the visual analog scale scores in patients treated with in situ splitting rib grafts were significantly lower than the patients treated with traditional surgery. The in situ splitting approach for obtaining a rib results in a clinically significant reduction in complications compared with the traditional approach.

  15. In situ studies of materials for high temperature CO2 capture and storage.

    PubMed

    Dunstan, Matthew T; Maugeri, Serena A; Liu, Wen; Tucker, Matthew G; Taiwo, Oluwadamilola O; Gonzalez, Belen; Allan, Phoebe K; Gaultois, Michael W; Shearing, Paul R; Keen, David A; Phillips, Anthony E; Dove, Martin T; Scott, Stuart A; Dennis, John S; Grey, Clare P

    2016-10-20

    Carbon capture and storage (CCS) offers a possible solution to curb the CO2 emissions from stationary sources in the coming decades, considering the delays in shifting energy generation to carbon neutral sources such as wind, solar and biomass. The most mature technology for post-combustion capture uses a liquid sorbent, amine scrubbing. However, with the existing technology, a large amount of heat is required for the regeneration of the liquid sorbent, which introduces a substantial energy penalty. The use of alternative sorbents for CO2 capture, such as the CaO-CaCO3 system, has been investigated extensively in recent years. However there are significant problems associated with the use of CaO based sorbents, the most challenging one being the deactivation of the sorbent material. When sorbents such as natural limestone are used, the capture capacity of the solid sorbent can fall by as much as 90 mol% after the first 20 carbonation-regeneration cycles. In this study a variety of techniques were employed to understand better the cause of this deterioration from both a structural and morphological standpoint. X-ray and neutron PDF studies were employed to understand better the local surface and interfacial structures formed upon reaction, finding that after carbonation the surface roughness is decreased for CaO. In situ synchrotron X-ray diffraction studies showed that carbonation with added steam leads to a faster and more complete conversion of CaO than under conditions without steam, as evidenced by the phases seen at different depths within the sample. Finally, in situ X-ray tomography experiments were employed to track the morphological changes in the sorbents during carbonation, observing directly the reduction in porosity and increase in tortuosity of the pore network over multiple calcination reactions.

  16. 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.

  17. In situ synchrotron X-ray diffraction study of hydrides in Zircaloy-4 during thermomechanical cycling

    NASA Astrophysics Data System (ADS)

    Cinbiz, Mahmut N.; Koss, Donald A.; Motta, Arthur T.; Park, Jun-Sang; Almer, Jonathan D.

    2017-04-01

    The d-spacing evolution of both in-plane and out-of-plane hydrides has been studied using in situ synchrotron radiation X-ray diffraction during thermo-mechanical cycling of cold-worked stress-relieved Zircaloy-4. The structure of the hydride precipitates is such that the δ{111} d-spacing of the planes aligned with the hydride platelet face is greater than the d-spacing of the 111 planes aligned with the platelet edges. Upon heating from room temperature, the δ{111} planes aligned with hydride plate edges exhibit bi-linear thermally-induced expansion. In contrast, the d-spacing of the (111) plane aligned with the hydride plate face initially contracts upon heating. These experimental results can be understood in terms of a reversal of stress state associated with precipitating or dissolving hydride platelets within the α-zirconium matrix.

  18. In situ study on atomic mechanism of melting and freezing of single bismuth nanoparticles

    PubMed Central

    Li, Yingxuan; Zang, Ling; Jacobs, Daniel L.; Zhao, Jie; Yue, Xiu; Wang, Chuanyi

    2017-01-01

    Experimental study of the atomic mechanism in melting and freezing processes remains a formidable challenge. We report herein on a unique material system that allows for in situ growth of bismuth nanoparticles from the precursor compound SrBi2Ta2O9 under an electron beam within a high-resolution transmission electron microscope (HRTEM). Simultaneously, the melting and freezing processes within the nanoparticles are triggered and imaged in real time by the HRTEM. The images show atomic-scale evidence for point defect induced melting, and a freezing mechanism mediated by crystallization of an intermediate ordered liquid. During the melting and freezing, the formation of nucleation precursors, nucleation and growth, and the relaxation of the system, are directly observed. Based on these observations, an interaction–relaxation model is developed towards understanding the microscopic mechanism of the phase transitions, highlighting the importance of cooperative multiscale processes. PMID:28194017

  19. 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.

  20. In-Situ TEM Study of Interface Sliding and Migration in an Ultrafine Lamellar Structure

    SciTech Connect

    Hsiung, L M

    2005-12-06

    The instability of interfaces in an ultrafine TiAl-({gamma})/Ti{sub 3}Al-({alpha}{sub 2}) lamellar structure by straining at room temperature has been investigated using in-situ straining techniques performed in a transmission electron microscope. The purpose of this study is to obtain experimental evidence to support the creep mechanisms based upon the interface sliding in association with a cooperative movement of interfacial dislocations previously proposed to interpret the nearly linear creep behavior observed from ultrafine lamellar TiAl alloys. The results have revealed that both the sliding and migration of lamellar interfaces can take place simultaneously as a result of the cooperative movement of interfacial dislocations.

  1. 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.

  2. 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.

  3. 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.

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

    DOE PAGES

    Nlebedim, I. C.; Ucar, Huseyin; Hatter, Christine B.; ...

    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

  5. In situ study on atomic mechanism of melting and freezing of single bismuth nanoparticles

    NASA Astrophysics Data System (ADS)

    Li, Yingxuan; Zang, Ling; Jacobs, Daniel L.; Zhao, Jie; Yue, Xiu; Wang, Chuanyi

    2017-02-01

    Experimental study of the atomic mechanism in melting and freezing processes remains a formidable challenge. We report herein on a unique material system that allows for in situ growth of bismuth nanoparticles from the precursor compound SrBi2Ta2O9 under an electron beam within a high-resolution transmission electron microscope (HRTEM). Simultaneously, the melting and freezing processes within the nanoparticles are triggered and imaged in real time by the HRTEM. The images show atomic-scale evidence for point defect induced melting, and a freezing mechanism mediated by crystallization of an intermediate ordered liquid. During the melting and freezing, the formation of nucleation precursors, nucleation and growth, and the relaxation of the system, are directly observed. Based on these observations, an interaction-relaxation model is developed towards understanding the microscopic mechanism of the phase transitions, highlighting the importance of cooperative multiscale processes.

  6. 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.

  7. 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.

  8. Structure of hibernating ribosomes studied by cryoelectron tomography in vitro and in situ

    PubMed Central

    Ortiz, Julio O.; Brandt, Florian; Matias, Valério R.F.; Sennels, Lau; Rappsilber, Juri; Scheres, Sjors H.W.; Eibauer, Matthias; Hartl, F. Ulrich

    2010-01-01

    Ribosomes arranged in pairs (100S) have been related with nutritional stress response and are believed to represent a “hibernation state.” Several proteins have been identified that are associated with 100S ribosomes but their spatial organization has hitherto not been characterized. We have used cryoelectron tomography to reveal the three-dimensional configuration of 100S ribosomes isolated from starved Escherichia coli cells and we have described their mode of interaction. In situ studies with intact E. coli cells allowed us to demonstrate that 100S ribosomes do exist in vivo and represent an easily reversible state of quiescence; they readily vanish when the growth medium is replenished. PMID:20733057

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

    Considerations for achieving high degree of alignment in polymer bonded permanent magnets are presented 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. 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 with 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. Manufacturing cost can be minimized by identifying optimum alignment temperatures and magnetic field strengths.

  10. 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.

  11. 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.

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

    DOE PAGES

    Liu, Y.; Li, N.; Bufford, D.; ...

    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 study on atomic mechanism of melting and freezing of single bismuth nanoparticles.

    PubMed

    Li, Yingxuan; Zang, Ling; Jacobs, Daniel L; Zhao, Jie; Yue, Xiu; Wang, Chuanyi

    2017-02-13

    Experimental study of the atomic mechanism in melting and freezing processes remains a formidable challenge. We report herein on a unique material system that allows for in situ growth of bismuth nanoparticles from the precursor compound SrBi2Ta2O9 under an electron beam within a high-resolution transmission electron microscope (HRTEM). Simultaneously, the melting and freezing processes within the nanoparticles are triggered and imaged in real time by the HRTEM. The images show atomic-scale evidence for point defect induced melting, and a freezing mechanism mediated by crystallization of an intermediate ordered liquid. During the melting and freezing, the formation of nucleation precursors, nucleation and growth, and the relaxation of the system, are directly observed. Based on these observations, an interaction-relaxation model is developed towards understanding the microscopic mechanism of the phase transitions, highlighting the importance of cooperative multiscale processes.

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

    SciTech Connect

    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 with 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.

  15. In-situ Structural Studies during PBO Fiber Spinning by Synchrotron WAXD/SAXS

    NASA Astrophysics Data System (ADS)

    Ran, Shaofeng; Burger, Christian; Fang, Dufei; Zong, Xinhua; Cruz, Sharon; Hsiao, Benjamin; Chu, Benjamin; Bubeck, Robert; Yabuki, Kazuyuki; Teramoto, Yoshihiko; Martin, David; Johnson, Michael; Cunniff, Philip

    2001-03-01

    A spinning unit was adapted to the Advanced Polymers Beamline at X27C of the National Synchrotron Light Source (NSLS), Brookhaven National Lab (BNL) to perform in-situ fiber spinning studies. WAXD patterns indicated that the structure before coagulation had a lyotropic liquid-crystalline order that cannot be simply nematic. After the fiber had passed through the coagulation water bath, ranging from 25-60 C, a significant ordering had taken place. The meridian peaks showed streaks. Two models, a Pi-interacting sanidic lyotropic solution and a crystal with translational disorder, could be used to explain the structures before and after coagulation. SAXS patterns of the PBO fiber after coagulation showed equatorial streaks.

  16. In situ synchrotron X-ray diffraction study of hydrides in Zircaloy-4 during thermomechanical cycling

    DOE PAGES

    Cinbiz, Mahmut N.; Koss, Donald A.; Motta, Arthur T.; ...

    2017-02-20

    The d-spacing evolution of both in-plane and out-of-plane hydrides has been studied using in situ synchrotron radiation X-ray diffraction during thermo-mechanical cycling of cold-worked stress-relieved Zircaloy-4. The structure of the hydride precipitates is such that the δ{111} d-spacing of the planes aligned with the hydride platelet face is greater than the d-spacing of the 111 planes aligned with the platelet edges. Upon heating from room temperature, the δ{111} planes aligned with hydride plate edges exhibit bi-linear thermally-induced expansion. In contrast, the d-spacing of the (111) plane aligned with the hydride plate face initially contracts upon heating. Furthermore, these experimental resultsmore » can be understood in terms of a reversal of stress state associated with precipitating or dissolving hydride platelets within the α-zirconium matrix.« less

  17. 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).

  18. 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

    2017-05-01

    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.

  19. 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.

  20. In Situ Study of Silicon Electrode Lithiation with X-ray Reflectivity

    DOE PAGES

    Cao, Chuntian; Steinrück, Hans-Georg; Shyam, Badri; ...

    2016-10-26

    Surface sensitive X-ray reflectivity (XRR) measurements were performed to investigate the electrochemical lithiation of a native oxide terminated single crystalline silicon (100) electrode in real time during the first galvanostatic discharge cycle. This allows us to gain nanoscale, mechanistic insight into the lithiation of Si and the formation of the solid electrolyte interphase (SEI). We describe an electrochemistry cell specifically designed for in situ XRR studies and have determined the evolution of the electron density profile of the lithiated Si layer (LixSi) and the SEI layer with subnanometer resolution. We propose a three-stage lithiation mechanism with a reaction limited, layer-by-layermore » lithiation of the Si at the LixSi/Si interface.« less

  1. In Situ Study of Silicon Electrode Lithiation with X-ray Reflectivity

    SciTech Connect

    Cao, Chuntian; Steinrück, Hans-Georg; Shyam, Badri; Stone, Kevin H.; Toney, Michael F.

    2016-10-26

    Surface sensitive X-ray reflectivity (XRR) measurements were performed to investigate the electrochemical lithiation of a native oxide terminated single crystalline silicon (100) electrode in real time during the first galvanostatic discharge cycle. This allows us to gain nanoscale, mechanistic insight into the lithiation of Si and the formation of the solid electrolyte interphase (SEI). We describe an electrochemistry cell specifically designed for in situ XRR studies and have determined the evolution of the electron density profile of the lithiated Si layer (LixSi) and the SEI layer with subnanometer resolution. We propose a three-stage lithiation mechanism with a reaction limited, layer-by-layer lithiation of the Si at the LixSi/Si interface.

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

    SciTech Connect

    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 with 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.

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

    SciTech Connect

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

    2016-07-25

    The oxidation behavior of de-capped InAs (100) exposed to O{sub 2} 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 In{sub 2}O and As{sub 2}O{sub 3}. The stability of the crystalline oxide upon the atomic layer deposition (ALD) of HfO{sub 2} is studied as well. It is found that the generated (3 × 1) crystalline oxide is stable upon ALD HfO{sub 2} growth at 100 °C.

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

    DOE PAGES

    Kroning, Annika; Furchner, Andreas; Aulich, Dennis; ...

    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

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

    DOE PAGES

    Nlebedim, I. C.; Ucar, Huseyin; Hatter, Christine B.; ...

    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

  6. 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

  7. 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.

  8. Permeabilization of animal cells for kinetic studies of intracellular enzymes: in situ behavior of the glycolytic enzymes of erythrocytes.

    PubMed Central

    Aragón, J J; Felíu, J E; Frenkel, R A; Sols, A

    1980-01-01

    Intracellular enzymes in erythrocytes can be made accessible for in situ kinetic studies by treating the cells with bifunctional reagents to crosslink proteins, thus creating a network that allows subsequent permeabilization by delipidation without escape of intracellular proteins. Dimethyl suberimidate, dimethyl 3,3'-dithiobispropionimidate, and toluene-2,4-diisocyanate have been used successfully as crosslinking reagents, and digitonin has been used for delipidation. In a systematic study of the in situ behavior of the 11 glycolytic enzymes of rat erythrocytes, it was observed that Km and Vmax values for the majority of the enzymes are essentially the same in situ as in vitro. Lactate dehydrogenase (L-lactate:NAD+ oxidoreductase, EC 1.1.1.27) is inhibited by excess of pyruvate as much in situ as in vitro. Hexokinase (ATP:D-hexose 6-phosphotransferase, EC 2.7.1.1) was allosterically inhibited by glucose 6-phosphate nearly as much in situ as in vitro but was not affected by 2,3-biphosphoglycerate. The allosteric properties of 6-phosphofructokinase (ATP:D-fructose 6-phosphate 1-phosphotransferase, EC 2.7.1.11), glyceraldehyde-phosphate dehydrogenase [D-glyceraldehyde-3-phosphate:NAD+ oxidoreductase (phosphorylating), EC 1.2.1.12], and pyruvate kinase (ATP: pyruvate 2-O-phosphotransferase, EC 2.7.1.40) in situ were qualitatively similar to those observed in vitro, but some important quantitative differences were noticed. Particularly striking was the much greater activity of phosphofructokinase in situ compared to that in vitro at physiological concentrations of effector metabolites. PMID:6450416

  9. Comparative study of in situ hybridization, immunohistochemistry and parasitological culture for the diagnosis of canine leishmaniosis.

    PubMed

    Furtado, Marina C; Menezes, Rodrigo C; Kiupel, Matti; Madeira, Maria F; Oliveira, Raquel V C; Langohr, Ingeborg M; Figueiredo, Fabiano B

    2015-12-02

    The establishment of an accurate diagnostic protocol for canine visceral leishmaniosis (CanL) is a significant laboratory challenge and the lack of a reliable reference standard is one of the major problems. The aim of this study was to compare in situ hybridization (ISH), immunohistochemistry (IHC) and parasitological culture (PC) for detection of L. infantum in skin, spleen, lymph node and bone marrow of clinically healthy and sick seropositive dogs. The study included 65 dogs positive with both DPP® and ELISA for anti-Leishmania antibodies. In situ hybridization of spleen or lymph node had the highest positivity rates of L. infantum detection. The total positivity rates for IHC, ISH and PC were 70%, 68.1% and 65.8%, respectively. When combining techniques, the positivity rates were 81.5% in the spleen, 79.0% in lymph nodes, 59.0% in bone marrow and 52.3% in the skin. The highest percentage of infected dogs (87.7%) was detected by using lymph node samples. When examining only skin, positivity was significantly higher in sick dogs than in the clinically healthy dogs. Infection with L. infantum was confirmed in 95.8% of sick dogs and in 82.4% of healthy dogs. Considering the advantages of accurately diagnosing different Leishmania species and of being more sensitive than PC, ISH should be considered as reference standard test for the diagnosis of CanL. Spleen and lymph node are the most suitable tissues to confirm infection with L. infantum in seropositive dogs. The testing of only skin from clinically healthy dogs may result in a high percentage of false negative results.

  10. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. In situ experimental method for toxicological studies on natural plankton communities

    SciTech Connect

    Marshall, J.S.; Mellinger, D.L.

    1980-01-01

    During 1976 and 1977, the authors developed and tested a new in situ method for toxicological studies on natural plankton communities using small-volume (8- and 25-litre) enclosures. The effects of enclosure for 4 to 21 days on the plankton in northern Green Bay, Lake Michigan, were studied in connection with cadmium addition experiments. In situ incubations in opaque enclosures or in translucent ones at depths of >8 m caused large changes in the zooplankton community structure, as measured by two similarity indexes, the coefficient of community (CC) and the percentage similarity (PS), whereas incubations in translucent enclosures at 3 to 8 m caused relatively small changes. The effect of cadmium additions (0 to 5 ..mu..g cadmium per litre) on total zooplankton abundance in translucent enclosures at 3 to 5 m was significantly greater than in those at 6 to 8 m. This interaction between cadmium and light (depth) was probably due to a reduction of phytoplankton photosynthesis, as indicated by changes in dissolved oxygen (DO) concentrations. Zooplankton abundance was not significantly affected by <1.6 ..mu..g cadmium per litre, whereas DO and PS were significantly reduced by greater than or equal to 0.2 ..mu..g cadmium per litre. Values of PS for zooplankton communities in large-volume (1.5 x 10/sup 5/ litre) enclosures in a small Canadian lake in northwestern Ontario 3 weeks after the addition of cadmium were within the 95 percent confidence limits predicted from the results of 3-week experiments in Lake Michigan.

  12. Kinetics and Mechanism of Ultrasonic Activation of Persulfate: An in Situ EPR Spin Trapping Study.

    PubMed

    Wei, Zongsu; Villamena, Frederick A; Weavers, Linda K

    2017-03-21

    Ultrasound (US) was shown to activate persulfate (PS) providing an alternative activation method to base or heat as an in situ chemical oxidation (ISCO) method. The kinetics and mechanism of ultrasonic activation of PS were examined in aqueous solution using an in situ electron paramagnetic resonance (EPR) spin trapping technique and radical trapping with probe compounds. Using the spin trap, 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), hydroxyl radical ((•)OH) and sulfate radical anion (SO4(•-)) were measured from ultrasonic activation of persulfate (US-PS). The yield of (•)OH was up to 1 order of magnitude greater than that of SO4(•-). The comparatively high (•)OH yield was attributed to the hydrolysis of SO4(•-) in the warm interfacial region of cavitation bubbles formed from US. Using steady-state approximations, the dissociation rate of PS in cavitating bubble systems was determined to be 3 orders of magnitude greater than control experiments without sonication at ambient temperature. From calculations of the interfacial volume surrounding cavitation bubbles and using the Arrhenius equation, an effective mean temperature of 340 K at the bubble-water interface was estimated. Comparative studies using the probe compounds tert-butyl alcohol and nitrobenzene verified the bubble-water interface as the location for PS activation by high temperature with (•)OH contributing a minor role in activating PS to SO4(•-). The mechanisms unveiled in this study provide a basis for optimizing US-PS as an ISCO technology.

  13. 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

  14. 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. © 2016 Wiley Periodicals, Inc.

  15. Neisserial surface lipoproteins: structure, function and biogenesis.

    PubMed

    Hooda, Yogesh; Shin, Hyejin E; Bateman, Thomas J; Moraes, Trevor F

    2017-03-01

    The surface of many Gram-negative bacteria contains lipidated protein molecules referred to as surface lipoproteins or SLPs. SLPs play critical roles in host immune evasion, nutrient acquisition and regulation of the bacterial stress response. The focus of this review is on the SLPs present in Neisseria, a genus of bacteria that colonise the mucosal surfaces of animals. Neisseria contains two pathogens of medical interest, namely Neisseria meningitidis and N. gonorrhoeae. Several SLPs have been identified in Neisseria and their study has elucidated key strategies used by these pathogens to survive inside the human body. Herein, we focus on the identification, structure and function of SLPs that have been identified in Neisseria. We also survey the translocation pathways used by these SLPs to reach the cell surface. Specifically, we elaborate on the strategies used by neisserial SLPs to translocate across the outer membrane with an emphasis on Slam, a novel outer membrane protein that has been implicated in SLP biogenesis. Taken together, the study of SLPs in Neisseria illustrates the widespread roles played by this family of proteins in Gram-negative bacteria. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  16. 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

  17. 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

  18. A quantified dosing ALD reactor with in-situ diagnostics for surface chemistry studies

    NASA Astrophysics Data System (ADS)

    Larrabee, Thomas J.

    A specialized atomic layer deposition (ALD) reactor has been constructed to serve as an instrument to simultaneously study the surface chemistry of the ALD process, and perform ALD as is conventionally done in continuum flow of inert gas. This reactor is uniquely useful to gain insight into the ALD process because of the combination of its precise, controllable, and quantified dosing/microdosing capability; its in-situ quadrupole mass spectrometer for gas composition analysis; its pair of highly-sensitive in-situ quartz crystal microbalances (QCMs); and its complete spectrum of pressures and operating conditions --- from viscous to molecular flow regimes. Control of the dose is achieved independently of the conditions by allowing a reactant gas to fill a fixed volume and measured pressure, which is held at a controlled temperature, and subsequently dosed into the system by computer controlled pneumatic valves. Absolute reactant exposure to the substrate and QCMs is unambiguously calculated from the molecular impingement flux, and its relationship to dose size is established, allowing means for easily intentionally reproducing specific exposures. Methods for understanding atomic layer growth and adsorption phenomena, including the precursor sticking probability, dynamics of molecular impingement, size of dose, and other operating variables are for the first time quantitatively related to surface reaction rates by mass balance. Extensive characterization of the QCM as a measurement tool for adsorption under realistic ALD conditions has been examined, emphasizing the state-of-the-art and importance of QCM system features required. Finally, the importance of dose-quantification and microdosing has been contextualized in view of the ALD literature, underscoring the significance of more precise condition specification in establishing a better basis for reactor and reactant comparison.

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

    PubMed

    Bagatin, Cristhiane Ristum; Ito, Izabel Yoko; Andrucioli, Marcela Cristina Damião; Nelson-Filho, Paulo; Ferreira, José Tarcísio Lima

    2011-01-01

    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. 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. 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. 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.

  20. Influence of in situ stress variations on acoustic emissions: a numerical study

    NASA Astrophysics Data System (ADS)

    Zhao, Qi; Tisato, Nicola; Grasselli, Giovanni; Mahabadi, Omid K.; Lisjak, Andrea; Liu, Qinya

    2015-11-01

    The study of acoustic emissions (AEs) is of paramount importance to understand rock deformation processes. AE recorded during laboratory experiments mimics, in a controlled geometry and environment, natural and induced seismicity. However, these experiments are destructive, time consuming and require a significant amount of resources. Lately, significant progresses have been made in numerical simulations of rock failure processes, providing detailed insights into AE. We utilized the 2-D combined finite-discrete element method to simulate the deformation of Stanstead Granite under varying confining pressure (Pc) and demonstrated that the increase of confining pressure, Pc, (i) shifts failures from tensile towards shear dominated and (ii) enhance the macroscopic ductility. We quantitatively describe the AE activity associated with the fracturing process by assessing the spatial fractal dimension (D-value), the temporal distribution (AE rate) and the slope of the frequency-magnitude distribution (b-value). Based on the evaluation of D-value and AE rate, we defined two distinct deformation phases: Phase I and Phase II. The influence of Pc on the spatial distribution of AE varies according to the deformation phase: for increasing Pc, D-value decreases and increases during Phases I and II, respectively. In addition, b-value decreases with increasing Pc during the entire experiment. Our numerical results show for the first time that variations of D- and b-values as a function of in situ stress can be simulated using the combined finite-discrete element approach. We demonstrate that the examination of seismicity should be carried out carefully, taking into consideration the deformation phase and in situ stress conditions.

  1. 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.

  2. Squark contributions to photon structure functions and positivity constraints

    SciTech Connect

    Kitadono, Yoshio; Yoshida, Yutaka; Sahara, Ryo; Uematsu, Tsuneo

    2011-10-01

    Photon structure functions in supersymmetric QCD are investigated in terms of the parton model where squark contributions are evaluated. We calculate the eight virtual photon structure functions by taking the discontinuity of the squark massive one-loop diagrams of the photon-photon forward amplitude. The model-independent positivity constraints derived from the Cauchy-Schwarz inequalities are satisfied by the squark parton model calculation and actually the two equality relations hold for the squark contribution. We also show that our polarized photon structure function g{sub 1}{sup {gamma}} for the real photon leads to the vanishing first moment sum rule, and the constraint |g{sub 1}{sup {gamma}}|{<=}F{sub 1}{sup {gamma}} is satisfied by the real photon. We also discuss a squark signature in the structure function W{sub TT}{sup {tau}}.

  3. 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.

  4. 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.

  5. The Oxford-Diamond In Situ Cell for studying chemical reactions using time-resolved X-ray diffraction.

    PubMed

    Moorhouse, Saul J; Vranješ, Nenad; Jupe, Andrew; Drakopoulos, Michael; O'Hare, Dermot

    2012-08-01

    A versatile, infrared-heated, chemical reaction cell has been assembled and commissioned for the in situ study of a range of chemical syntheses using time-resolved energy-dispersive X-ray diffraction (EDXRD) on Beamline I12 at the Diamond Light Source. Specialized reactor configurations have been constructed to enable in situ EDXRD investigation of samples under non-ambient conditions. Chemical reactions can be studied using a range of sample vessels such as alumina crucibles, steel hydrothermal autoclaves, and glassy carbon tubes, at temperatures up to 1200 °C.

  6. The Oxford-Diamond In Situ Cell for studying chemical reactions using time-resolved X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Moorhouse, Saul J.; Vranješ, Nenad; Jupe, Andrew; Drakopoulos, Michael; O'Hare, Dermot

    2012-08-01

    A versatile, infrared-heated, chemical reaction cell has been assembled and commissioned for the in situ study of a range of chemical syntheses using time-resolved energy-dispersive X-ray diffraction (EDXRD) on Beamline I12 at the Diamond Light Source. Specialized reactor configurations have been constructed to enable in situ EDXRD investigation of samples under non-ambient conditions. Chemical reactions can be studied using a range of sample vessels such as alumina crucibles, steel hydrothermal autoclaves, and glassy carbon tubes, at temperatures up to 1200 °C.

  7. 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.

  8. 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.

  9. A portable hydro-thermo-mechanical loading cell for in situ small angle neutron scattering studies of proton exchange membranes.

    PubMed

    Yu, Dunji; An, Ke; Gao, Carrie Y; Heller, William T; Chen, Xu

    2013-10-01

    A portable hydro-thermo-mechanical loading cell has been designed to enable in situ small angle neutron scattering (SANS) studies of proton exchange membranes (PEMs) under immersed tensile loadings at different temperatures. The cell consists of three main parts as follows: a letter-paper-size motor-driven mechanical load frame, a SANS friendly reservoir that provides stable immersed and thermal sample conditions, and a data acquisition and control system. The ex situ tensile tests of Nafion 212 membranes demonstrated a satisfactory thermo-mechanical testing performance of the cell for either dry or immersed conditions at elevated temperatures. The in situ SANS tensile measurements on the Nafion 212 membranes immersed in D2O at 70 °C proved the feasibility and capability of the cell for small angle scattering study on deformation behaviors of PEM and other polymer materials under hydro-thermo-mechanical loading.

  10. 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.

  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. 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.

  13. Neutron Structure Function and A=3 Mirror Nuclei

    NASA Astrophysics Data System (ADS)

    Afnan, I. R.; Bissey, F.; Gomez, J.; Katramatou, A. T.; Melnitchouk, W.; Petratos, G. G.; Thomas, A. W.

    2000-10-01

    We describe how to extract the free neutron structure function from measurements of deep-inelastic scattering from ^3He and ^3H nuclei. Nuclear corrections are shown to cancel to within 2% for the isospin-weighted ratio of ^3He to ^3H structure functions, independent of the nuclear wave function. Such measurements will in addition determine the magnitude of the EMC effect in all A <= 3 nuclei. We also describe a proposed experiment to perform these measurements at Jefferson Lab.

  14. 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.

  15. 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.

  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.

    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.

  17. The proteome: structure, function and evolution

    PubMed Central

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

    2006-01-01

    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. PMID:16524832

  18. Beta-secretase: Structure, Function, and Evolution

    PubMed Central

    Venugopal, Chitra; Demos, Christina M.; Rao, K. S. Jagannatha; Pappolla, Miguel A.; Sambamurti, Kumar

    2010-01-01

    The most popular current hypothesis is that Alzheimer’s disease (AD) is caused by aggregates of the amyloid peptide (Aβ), which is generated by cleavage of the Aβ protein precursor (APP) by β-secretase (BACE-1) followed by γ-secretase. BACE-1 cleavage is limiting for the production of Aβ, making it a particularly good drug target for the generation of inhibitors that lower Aβ. A landmark discovery in AD was the identification of BACE-1 (a.k.a. Memapsin-2) as a novel class of type I transmembrane aspartic protease. Although BACE-2, a homologue of BACE-1, was quickly identified, follow up studies using knockout mice demonstrated that BACE-1 was necessary and sufficient for most neuronal Aβ generation. Despite the importance of BACE-1 as a drug target, development has been slow due to the incomplete understanding of its function and regulation and the difficulties in developing a brain penetrant drug that can specifically block its large catalytic pocket. This review summarizes the biological properties of BACE-1 and attempts to use phylogenetic perspectives to understand its function. The article also addresses the challenges in discovering a selective drug-like molecule targeting novel mechanisms of BACE-1 regulation. PMID:18673212

  19. Pentraxins: Structure, Function, and Role in Inflammation

    PubMed Central

    Du Clos, Terry W.

    2013-01-01

    The pentraxins are an ancient family of proteins with a unique architecture found as far back in evolution as the Horseshoe crab. In humans the two members of this family are C-reactive protein and serum amyloid P. Pentraxins are defined by their sequence homology, their pentameric structure and their calcium-dependent binding to their ligands. Pentraxins function as soluble pattern recognition molecules and one of the earliest and most important roles for these proteins is host defense primarily against pathogenic bacteria. They function as opsonins for pathogens through activation of the complement pathway and through binding to Fc gamma receptors. Pentraxins also recognize membrane phospholipids and nuclear components exposed on or released by damaged cells. CRP has a specific interaction with small nuclear ribonucleoproteins whereas SAP is a major recognition molecule for DNA, two nuclear autoantigens. Studies in autoimmune and inflammatory disease models suggest that pentraxins interact with macrophage Fc receptors to regulate the inflammatory response. Because CRP is a strong acute phase reactant it is widely used as a marker of inflammation and infection. PMID:24167754

  20. 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

  1. Structure-function relationships of antimicrobial peptides.

    PubMed

    Hwang, P M; Vogel, H J

    1998-01-01

    Antimicrobial peptides are ubiquitously produced throughout nature. Many of these relatively short peptides (6-50 residues) are lethal towards bacteria and fungi, yet they display minimal toxicity towards mammalian cells. All of the peptides are highly cationic and hydrophobic. It is widely believed that they act through nonspecific binding to biological membranes, even though the exact nature of these interactions is presently unclear. High-resolution nuclear magnetic resonance (NMR) has contributed greatly to knowledge in this field, providing insight about peptide structure in aqueous solution, in organic cosolvents, and in micellar systems. Solid-state NMR can provide additional information about peptide-membrane binding. Here we review our current knowledge about the structure of antimicrobial peptides. We also discuss studies pertaining to the mechanism of action. Despite the different three-dimensional structural motifs of the various classes, they all have similar amphiphilic surfaces that are well-suited for membrane binding. Many antimicrobial peptides bind in a membrane-parallel orientation, interacting only with one face of the bilayer. This may be sufficient for antimicrobial action. At higher concentrations, peptides and phospholipids translocate to form multimeric transmembrane channels that seem to contribute to the peptide's hemolytic activity. An understanding of the key features of the secondary and tertiary structures of the antimicrobial peptides and their effects on bactericidal and hemolytic activity can aid the rational design of improved analogs for clinical use.

  2. 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.

  3. Modification of soft drinks with xanthan gum to minimise erosion: a study in situ.

    PubMed

    West, N X; Hughes, J A; Parker, D; Weaver, L J; Moohan, M; De'Ath, J; Addy, M

    2004-04-24

    To compare the erosive effect of a new blackcurrant/calcium drink with xanthan gum, on enamel in situ, with a low erosive product, a conventional fruit beverage and water. The study was single centre, randomised, single blind, 4 treatment crossover design. This study, conducted in 2000, employed volunteers working at the Bristol Dental Hospital, UK. 16 subjects (>or=18 years) wore two enamel samples in a removable acrylic appliance. The drinks tested were (A) New blackcurrant/calcium/gum drink (test product), (B) Original blackcurrant/calcium drink, (C) Conventional blackcurrant drink (positive control) and (D) Water (negative control), for 15 day study periods. Drinking was supervised, with 250 ml imbibed four times/day between 9.00am-5.00pm. Profile measurements of specimens were made at baseline, 5, 10 and 15 days. Paired t-tests compared erosion by surfometry with selected pairs of formulations. Of 16 screened subjects (3 male, 13 female), mean age 34.2 years, 1 subject failed to complete the study. A caused significantly less enamel loss than C, with no statistically significant differences from B at any time points measured. Of 43 treatment emergent adverse events, none were considered related to the study formulations. A retained low erosive properties similar to B, with additional benefits of taste flexibility and beverage stability.

  4. Mantle cell lymphoma with in situ or mantle zone growth pattern: a study of five cases and review of literature.

    PubMed

    Hsu, Peihong; Yang, Tianyu; Sheikh-Fayyaz, Silvat; Brody, Judith; Bandovic, Jela; Roy, Sarma; Laser, Jordan; Kolitz, Jonathan E; Devoe, Craig; Zhang, Xinmin

    2014-01-01

    We present two rare cases of in situ mantle cell lymphoma ("in situ MCL") and three cases of MCL with mantle zone growth pattern (MCL-MZGP). The patients include four males and one female, with a median age of 66 years (range, 52 to 86 years). Two present with isolated lymphadenopathy and three with multiple lymphadenopathy. At presentation, the complete blood count (CBC) and serum lactate dehydrogenase (LDH) are normal in all cases. Histologic examination reveals an in situ pattern in two cases and a mantle zone growth pattern in three cases. The staging bone marrow biopsies show minimal involvement by lymphoma in one case and no morphologic evidence of lymphoma in four cases. All cases are positive for cyclin D1, including two with typical MCL phenotype and three with CD5-negativity. Four out of five cases express kappa light chain. FISH study for t(11;14) is performed in three cases, of which one is positive and two are inconclusive. For four patients with a median follow-up of 38 months, three are in clinical remission and one has persistent disease. In conclusion, the "in situ MCL" is associated with incidental finding, indolent clinical course and lower tumor burden. The predominant usage of kappa light chain and frequent CD5-negativity observed in our cases are unusual. We review the clinical and laboratory features of "in situ MCL" cases in the literature.

  5. [Histometric study of 55 cases of carcinoma in situ and microinvasive carcinoma of the cervix. Histogenetic deductions].

    PubMed

    Brémond, A; Dargent, D; Lesbros, F

    1976-01-01

    The authors present the results of a quantitative study of carcinoma-in-situ and occult invasive cancers of the cervix. 40 separate carcinomata in-situ were measured and the limits of their topography precisely defined with reference to the external os on the one hand and the "last gland" on the other. It is known that this gland is situated at the site of the original junction between the cylindrical and pavement epithelia. It confirms that carcinoma-in-situ always (with few exceptions) develops upwards from the area of the original junction between the cylindrical and pavement epithelia, and its topography is higher than that of dysplasia especially when the two types of lesion are associated.

  6. 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

  7. 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

  8. An in situ interproximal model for studying the effect of fluoride on enamel.

    PubMed

    Dunipace, A J; Hall, A F; Kelly, S A; Beiswanger, A J; Fischer, G M; Lukantsova, L L; Eckert, G J; Stookey, G K

    1997-01-01

    This crossover study determined the ability of an interproximal, intra-oral model to demonstrate a fluoride dose response to 0-, 250- and 1,100-ppm fluoride (sodium fluoride) dentifrices with respect to fluoride uptake into, and remineralization of, incipient subsurface enamel lesions. Following a 1 week 'lead in' period during which 30 panelists were randomly assigned to use one of the products, two enamel specimens with artificial carious lesions were mounted into a specially designed functional partial denture worn by each panelist. Panelists continued to brush three times daily with their test dentifrice for 4 weeks, after which the specimens were removed and analyzed for fluoride uptake and remineralization. The procedure was repeated until each panelist had followed all three treatment regimens. Fluoride analyses were performed using a microdrill biopsy technique, and mineral content changes were determined by transverse microradiography. Fluoride uptake data were significantly different (p < 0.01) for all three products with the effect of 1,100 ppm F > 250 ppm F > placebo. The 1,100 ppm F dentifrice also effected significantly greater remineralization (p < 0.01) than did the 250-ppm-F or placebo dentifrices. Relative efficacy of the three fluoride dentifrices tested in this study was similar to that established in a clinical trial, and, therefore, supports the use of this model for in situ studies of the effects of fluoride-containing products on enamel lesions.

  9. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure.

    PubMed

    Surrey, Alexander; Schultz, Ludwig; Rellinghaus, Bernd

    2017-01-31

    The use of transmission electron microscopy (TEM) for the structural characterization of many nanostructured hydrides, which are relevant for solid state hydrogen storage, is hindered due to a rapid decomposition of the specimen upon irradiation with the electron beam. Environmental TEM allows to stabilize the hydrides by applying a hydrogen back pressure of up to 4.5 bar in a windowed environmental cell. The feasibility of high-resolution TEM (HRTEM) investigations of light weight metals and metal hydrides in such a "nanoreactor" is studied theoretically by means of multislice HRTEM contrast simulations using Mg and its hydride phase, MgH2, as model system. Such a setup provides the general opportunity to study dehydrogenation and hydrogenation reactions at the nanoscale under technological application conditions. We analyze the dependence of both the spatial resolution and the HRTEM image contrast on parameters such as the defocus, the metal/hydride thickness, and the hydrogen pressure in order to explore the possibilities and limitations of in-situ experiments with windowed environmental cells. Such simulations may be highly valuable to pre-evaluate future experimental studies.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. In situ degradation studies of two-dimensional WSe2-graphene heterostructures

    NASA Astrophysics Data System (ADS)

    Wang, B.; Eichfield, S. M.; Wang, D.; Robinson, J. A.; Haque, M. A.

    2015-08-01

    Heterostructures of two-dimensional materials can be vulnerable to thermal degradation due to structural and interfacial defects as well as thermal expansion mismatch, yet a systematic study does not exist in the literature. In this study, we investigate the degradation of freestanding WSe2-graphene heterostructures due to heat and charge flow by performing in situ experiments inside a transmission electron microscope. Experimental results show that purely thermal loading requires higher temperatures (>850 °C), about 150 °C higher than that under combined electrical and thermal loading. In both cases, selenium is the first element to decompose and migration of silicon atoms from the test structure to the freestanding specimen initiates rapid degradation through the formation of tungsten disilicide and silicon carbide. The role of the current flow is to enhance the migration of silicon from the sample holder and to knock-out the selenium atoms. The findings of this study provide fundamental insights into the degradation of WSe2-graphene heterostructures and inspire their application in electronics for use in harsh environments.

  15. 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.

  16. 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.

  17. The fate of fixed nitrogen in marine sediments with low organic loading: an in situ study

    NASA Astrophysics Data System (ADS)

    Bonaglia, Stefano; Hylén, Astrid; Rattray, Jayne E.; Kononets, Mikhail Y.; Ekeroth, Nils; Roos, Per; Thamdrup, Bo; Brüchert, Volker; Hall, Per O. J.

    2017-01-01

    Over the last decades, the impact of human activities on the global nitrogen (N) cycle has drastically increased. Consequently, benthic N cycling has mainly been studied in anthropogenically impacted estuaries and coasts, while in oligotrophic systems its understanding is still scarce. Here we report on benthic solute fluxes and on rates of denitrification, anammox, and dissimilatory nitrate reduction to ammonium (DNRA) studied by in situ incubations with benthic chamber landers during two cruises to the Gulf of Bothnia (GOB), a cold, oligotrophic basin located in the northern part of the Baltic Sea. Rates of N burial were also inferred to investigate the fate of fixed N in these sediments. Most of the total dissolved fixed nitrogen (TDN) diffusing to the water column was composed of organic N. Average rates of dinitrogen (N2) production by denitrification and anammox (range: 53-360 µmol N m-2 day-1) were comparable to those from Arctic and subarctic sediments worldwide (range: 34-344 µmol N m-2 day-1). Anammox accounted for 18-26 % of the total N2 production. Absence of free hydrogen sulfide and low concentrations of dissolved iron in sediment pore water suggested that denitrification and DNRA were driven by organic matter oxidation rather than chemolithotrophy. DNRA was as important as denitrification at a shallow, coastal station situated in the northern Bothnian Bay. At this pristine and fully oxygenated site, ammonium regeneration through DNRA contributed more than one-third to the TDN efflux and accounted, on average, for 45 % of total nitrate reduction. At the offshore stations, the proportion of DNRA in relation to denitrification was lower (0-16 % of total nitrate reduction). Median value and range of benthic DNRA rates from the GOB were comparable to those from the southern and central eutrophic Baltic Sea and other temperate estuaries and coasts in Europe. Therefore, our results contrast with the view that DNRA is negligible in cold and well

  18. The effects of in situ freezing on the anterior cruciate ligament. An experimental study in goats.

    PubMed

    Jackson, D W; Grood, E S; Cohn, B T; Arnoczky, S P; Simon, T M; Cummings, J F

    1991-02-01

    We developed an in situ freeze-thaw model designed to simulate an ideally placed and oriented autogenous graft of the anterior cruciate ligament. In this model, the anterior cruciate ligament was exposed, and the femoral insertion, tibial insertion, and body of the anterior cruciate ligament were frozen in situ with specially designed freezing probes. Freeze-thaw cycles were repeated five times. We used the technique in thirty-three mature goats to study the biological and biomechanical outcomes of the devitalized and devascularized anterior cruciate ligament at zero, six, and twenty-six weeks after treatment. Thus, the collagen fibers of the simulated autogenous graft remain in normal anatomical position and the simulated graft is fixed under physiological tension. At twenty-six weeks, no statistically significant differences were noted between treated and contralateral control (untreated) ligaments relative to anterior-posterior translation, maximum force to rupture, stiffness in the linear region of the force-length curve, modulus of elasticity in the linear region, strain to maximum stress, or maximum stress. The only statistically significant difference was an increase in cross-sectional area of the ligament. This increase was 22 and 42 per cent greater than that in the control ligaments at six weeks and six months. At six months, the ligaments in the control group had an average mid-cross-sectional area of 17.7 +/- 1.2 square millimeters and the ligaments in the experimental group, 25.2 +/- 3.1 square millimeters. Changes in the size and density of the collagen fibrils also were demonstrated at six months. These observations are in sharp contrast to our previous studies of replacement of the anterior cruciate ligament, in which an allograft of the ligament or an allograft supplemented with a 3M ligament augmentation device (LAD; 3M, St. Paul, Minnesota) was used. In those studies, an average reduction in maximum strength of 75 per cent for the allografts and

  19. Spatial variances of wind fields and their relation to second-order structure functions and spectra

    NASA Astrophysics Data System (ADS)

    Vogelzang, Jur; King, Gregory P.; Stoffelen, Ad

    2015-02-01

    Kinetic energy variance as a function of spatial scale for wind fields is commonly estimated either using second-order structure functions (in the spatial domain) or by spectral analysis (in the frequency domain). Both techniques give an order-of-magnitude estimate. More accurate estimates are given by a statistic called spatial variance. Spatial variances have a clear interpretation and are tolerant for missing data. They can be related to second-order structure functions, both for discrete and continuous data. Spatial variances can also be Fourier transformed to yield a relation with spectra. The flexibility of spatial variances is used to study various sampling strategies, and to compare them with second-order structure functions and spectral variances. It is shown that the spectral sampling strategy is not seriously biased to calm conditions for scatterometer ocean surface vector winds. When the second-order structure function behaves like rp, its ratio with the spatial variance equals >(p+1>)>(p+2>). Ocean surface winds in the tropics have p between 2/3 and 1, so one-sixth to one-fifth of the second-order structure function value is a good proxy for the cumulative variance.

  20. Weldon Spring, Missouri, Raffinate Pits 1, 2, 3, and 4: Preliminary grout development screening studies for in situ waste immobilization

    SciTech Connect

    McDaniel, E.W.; Gilliam, T.M.; Dole, L.R.; West, G.A.

    1987-04-01

    Results of Oak Ridge National Laboratory's initial support program to develop a preliminary grout formula to solidify in situ the Weldon Spring waste are presented. The screening study developed preliminary formulas based on a simulated composite waste and then tested the formulas on actual waste samples. Future data needs are also discussed. 1 ref., 6 figs., 9 tabs.

  1. 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

  2. In vitro study on tamsulosin release kinetics from biodegradable PLGA in situ implants.

    PubMed

    Elias-Al-Mamun, Md; Khan, Humaira Afreen; Dewan, Irin; Jalil, Reza-Ul

    2009-10-01

    The objective of this study was to evaluate the effect of drug loading and the effect of excipients on the release pattern of tamsulosin tydrochloride from in situ PLGA implants formed in vitro in gelatin gel. This system is prepared by dissolving a biodegradable polymer (DL-PLGA 70K) in biocompatible solvent, dimethyl sulfoxide (DMSO). Then either the drug or drug with excipients was added to it. The drug solution was poured into the hollow of gelatin gel, the solvent dissipated into the surrounding gelatin base through diffusion leading phase separation and subsequent coagulation of the polymer. The drug formed a rod like implant in situ. Two types of implants were prepared such as implants containing tamsulosin hydrochloride and implants containing tamsulosin hydrochloride with biocompatible excipients such as Tween 20, Tween 60, Span 20, Span 80, Chremophore EL, or Chremophore RH 40. In vitro dissolution studies were performed in static condition using phosphate buffer (pH 7.4) to observe the release of drugs from these implants for 10 days. Formulation containing only tamsulosin hydrochloride showed that drug loading was 83.54%, 90.23%, 86.72%, 89.17% and 94.08% against the actual drug content of 9.09%, 13.04%, 16.67%, 20% and 23.08% respectively. The release rate of drug was 64.51%, 70.64%, 74.08%, 76.12% and 80.05% accordingly. It can be concluded that the release rate of drug increases with increasing drug concentrations. The other formulation containing tamsulosin with excipients showed that the release rate was 74.70%, 75.14%, 60.03%, 63.83%, 70.82% and 76.43% against same conc. of drug (8.7% of drug) but different excipients such as tween 20, tween 60, span 20, span 80, chremophore EL and chremophore RH 40 respectively. The loading efficiency was 79.33%, 87.34%, 91.91%, 94.19%, 88.48% and 95.34% respectively. It can be concluded that excipient lowers the release rate of the drug and may prolong the activity and overall release kinetics.

  3. In-situ time resolved studies of apatite formation pathways - implications for biological and environmental systems

    NASA Astrophysics Data System (ADS)

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

    2006-05-01

    The mineral apatite, Ca5(PO4)3(F,OH,Cl), is of great significance in a variety of fields including life and environmental sciences. Apatite is the main constituent of almost all hard tissues of human body and plays major role in the metabolic processes. Recently, it has gained a considerable amount of attention as a promising candidate for the use in the in-situ metal sequestration of metal ions for environmental remediation, sometimes called phosphate induced metal stabilization (PIMS). We report preliminary results of in-situ time resolved X-ray diffraction studies of apatite formation pathways from aqueous solutions, performed at the X7B beamline of the National Synchrotron Light Source at Brookhaven National Laboratory, Upton, NY. A series of experiments with different Ca/P and liquid/solid ratios in the starting material, and range of temperatures were performed. In the first stage of the experiment, calcium acetate and ammonium phosphate solutions are mixed at room temperature, resulting in the formation of an initial precipitate. The solution is then press-filtered and the remaining slurry, of the desired liquid/solid ratio, is placed inside a heating cell and analyzed within 10 min. of the initial precipitation. The initial precipitate was identified as brushite (CaHPO4 - 2H2O) in all experiments, independent of the initial Ca/P ratio in solution). In the experiment conducted at ambient temperature brushite was the only phase present in the solution/slurry throughout the duration of the analysis. Under the conditions of elevated temperature, however, a sequence of phase transitions, from brushite to apatite with intermediate monetite (CaHPO4) was observed. The pathway of the transitions and the final product was independent of both the Ca/P ratio and the temperature of the reaction. The rate of the transformation, however, increased with increasing temperature. Numerous studies of apatite formation from solution using standard X-ray diffraction experiments

  4. 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

  5. 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.

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

    SciTech Connect

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

    2016-04-21

    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.

  7. Postharvest ripening study of sweet lime (Citrus limettioides) in situ by volume-localized NMR spectroscopy.

    PubMed

    Banerjee, Abhishek; George, Christy; Bharathwaj, Sathyamoorthy; Chandrakumar, Narayanan

    2009-02-25

    Spatially resolved NMR--especially volume-localized spectroscopy (VLS)is useful in various fields including clinical diagnosis, process monitoring, etc. VLS carries high significance because of its ability to identify molecular species and hence track molecular events. This paper reports the application of VLS at 200 MHz to study the postharvest ripening of sweet lime ( Citrus limettioides ) in situ, including a comparative study of normal and acetylene-mediated ripening. Localization to a cubic voxel of 64 microL was achieved with point-resolved spectroscopy (PRESS). Glucose, sucrose, fructose, and citric acid are found to be among the main constituents in the fruit. In the natural process, the sugar to acid ratio increases with ripening. Ethanol generation is seen to occur at a faster rate in acetylene-mediated ripening. Whereas NMR imaging experiments including parametric imaging (e.g., T(1) or T(2) maps) may be employed for "macro" monitoring of processes such as these, this work demonstrates that the molecular imprint of the process may be tracked noninvasively by VLS.

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

    SciTech Connect

    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 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.

  9. 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.

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

    DOE PAGES

    Shen, Hao; Zhu, Wenxin; Li, Yao; ...

    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

  11. In situ study of in-beam cobalt suicide growth in silicon

    NASA Astrophysics Data System (ADS)

    Ruault, M.-O.; Fortuna, F.; Bernas, H.; Kaitasov, O.

    1994-02-01

    The control of buried suicide layer interfaces requires a systematic study of their formation conditions (implantation temperature, sample orientation, post-annealing conditions). At stoichiometric concentration, the layer roughness stems from the formation and overlap of B-type precipitates during implanted sample annealing. However, at such high concentrations several parameters interfere during suicide layer formation, particularly diffusion-limited precipitate growth and precipitate coalescence and Ostwald ripening. In order to analyze these factors separately, we have performed an in situ TEM study of the initial stages of CoSi 2 precipitate formation and growth in Si during 50 keV Co implantation to fluences between 10 15 and 1.5 × 10 16 Cocm -2, at temperatures between 350 and 650°C. At 350°C, the threshold fluence for suicide precipitate observation was 2 × 10 15 Cocm -2, and the size of the precipitates remained constant (about 4 nm) up to a fluence of 1.5 × 10 16 Cocm -2. At higher implantation temperatures, the average growth rate at 650°C is four times higher than at 500°C until the average size of the precipitates reaches ~ 8 nm. Then the growth rate is surprisingly independent of the implantation temperature. The results are discussed in the light of a recently developed precipitation kinetic analysis.

  12. 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.

  13. A compact VCE growth system for in situ studies of epitaxy

    NASA Astrophysics Data System (ADS)

    Schmidt, P.; Deppert, K.; Jeppesen, S.; Jönsson, J.; Paulsson, G.; Samuelson, L.

    1990-10-01

    A vacuum chemical epitaxy (VCE) equipment for growing epitaxial layers of GaAs from triethylgallium (TEG) and arsine (AsH 3) as precursors has been developed. A novel inlet system consisting of two separate concentric nozzle rings with sixfold symmetry has been designed. The directed molecular beams from the nozzles are redistributed by the wall of the growth chamber which is at a temperature of about 250°C, thus avoiding pre-reactions of metalorganic (MO) gases and the condensation of As-related species. In this manner a uniform molecule density, growth rate and a multiple impinging of volatile group-V species, typical for VCE, is realized. The changeable wall geometry also allows work under chemical beam epitaxy (CBE) like conditions. Grown layers of GaAs have been characterized using photoluminescence (PL), deep level transient spectroscopy (DLTS), carrier concentration profile measurements and morphology studies. In situ measurements were conducted with the aid of line-of-sight quadrupole mass spectrometry (QMS) and reflectance difference (RD) measurements. RD made it possible to characterize the growth process, and to optimize growth parameters such as the V/III ratio, also the pressure is too high for reflection high-energy electron diffraction (RHEED). We have specifically studied AsH 3 and TEG stabilized surfaces, and the transitions between these two types of surfaces, in the temperature range between 400 and 550°C.

  14. 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.

  15. Bioreactor tests preliminary to landfill in situ aeration: a case study.

    PubMed

    Raga, Roberto; Cossu, Raffaello

    2013-04-01

    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 NNH4(+); the findings obtained were encouraging and provided evidence of the effectiveness of carbon and nitrogen conversion processes in the aerated landfill simulation reactors.

  16. A large volume cell for in situ neutron diffraction studies of hydrothermal crystallizations.

    PubMed

    Xia, Fang; Qian, Gujie; Brugger, Joël; Studer, Andrew; Olsen, Scott; Pring, Allan

    2010-10-01

    A hydrothermal cell with 320 ml internal volume has been designed and constructed for in situ neutron diffraction studies of hydrothermal crystallizations. The cell design adopts a dumbbell configuration assembled with standard commercial stainless steel components and a zero-scattering Ti-Zr alloy sample compartment. The fluid movement and heat transfer are simply driven by natural convection due to the natural temperature gradient along the fluid path, so that the temperature at the sample compartment can be stably sustained by heating the fluid in the bottom fluid reservoir. The cell can operate at temperatures up to 300 °C and pressures up to 90 bars and is suitable for studying reactions requiring a large volume of hydrothermal fluid to damp out the negative effect from the change of fluid composition during the course of the reactions. The capability of the cell was demonstrated by a hydrothermal phase transformation investigation from leucite (KAlSi(2)O(6)) to analcime (NaAlSi(2)O(6)⋅H(2)O) at 210 °C on the high intensity powder diffractometer Wombat in ANSTO. The kinetics of the transformation has been resolved by collecting diffraction patterns every 10 min followed by Rietveld quantitative phase analysis. The classical Avrami/Arrhenius analysis gives an activation energy of 82.3±1.1 kJ  mol(-1). Estimations of the reaction rate under natural environments by extrapolations agree well with petrological observations.

  17. A large volume cell for in situ neutron diffraction studies of hydrothermal crystallizations

    NASA Astrophysics Data System (ADS)

    Xia, Fang; Qian, Gujie; Brugger, Joël; Studer, Andrew; Olsen, Scott; Pring, Allan

    2010-10-01

    A hydrothermal cell with 320 ml internal volume has been designed and constructed for in situ neutron diffraction studies of hydrothermal crystallizations. The cell design adopts a dumbbell configuration assembled with standard commercial stainless steel components and a zero-scattering Ti-Zr alloy sample compartment. The fluid movement and heat transfer are simply driven by natural convection due to the natural temperature gradient along the fluid path, so that the temperature at the sample compartment can be stably sustained by heating the fluid in the bottom fluid reservoir. The cell can operate at temperatures up to 300 °C and pressures up to 90 bars and is suitable for studying reactions requiring a large volume of hydrothermal fluid to damp out the negative effect from the change of fluid composition during the course of the reactions. The capability of the cell was demonstrated by a hydrothermal phase transformation investigation from leucite (KAlSi2O6) to analcime (NaAlSi2O6ṡH2O) at 210 °C on the high intensity powder diffractometer Wombat in ANSTO. The kinetics of the transformation has been resolved by collecting diffraction patterns every 10 min followed by Rietveld quantitative phase analysis. The classical Avrami/Arrhenius analysis gives an activation energy of 82.3±1.1 kJ mol-1. Estimations of the reaction rate under natural environments by extrapolations agree well with petrological observations.

  18. 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.

  19. The use of in situ benthic chambers to study the fate of oil in sublittoral sediments

    NASA Astrophysics Data System (ADS)

    Davies, J. M.; Tibbetts, P. J. C.

    1987-02-01

    Twelve in situ benthic chambers (2·2 m in diameter) were used to study the weathering of topped crude oil coated onto a submerged marine sediment over a period of about 440 days. The bulk (⋍80%) of the oil coated onto the sediment was lost during the first 40 days from both open and closed chambers. It is suggested that this oil was lost from the sediment partly into solution (perhaps after partial oxidation) or more likely, by droplet formation associated with the workover of particles by physical and biological processes. The weathering pattern of the oil remaining on the sediment was studied for a further 400 days and showed that the alkane fraction was biodegraded more rapidly than the naphthalenes, in agreement with the results from the Amoco Cadiz oil spill (Boehm et al., 1981) and that the alkyl substituted PAH homologues were biodegraded in preference to the unsubstituted parent compound. The hopane and sterane fingerprints did not change significantly over the 440 days of exposure, thus reinforcing their usefulness as long term markers of soil spills. In general the rates of biodegradation of the various classes of compounds were similar to those observed in other locations and suggested that the polycyclic aliphatics and the PAHs are very slow to degrade and will remain in the sediment for a considerable period of time.

  20. In situ synchrotron radiation diffraction study of low carbon steel during ion nitriding

    NASA Astrophysics Data System (ADS)

    Feugeas, J. N.; Hermida, J. D.; Gomez, B. J.; Kellermann, G.; Craievich, A.

    1999-09-01

    The volume close to the surface of materials subjected to ion implantation or ion diffusion exhibits structural transformations that are usually studied by x-ray diffraction. In order to characterize the kinetic aspects of structural transformations in low carbon AISI 1010 steel during ion nitriding, an in situ synchrotron radiation diffraction study was performed. An experimental set-up, a specially designed reactor, was constructed for x-ray measurements in real time. The variation in the lattice parameter with time of the initial Fe-icons/Journals/Common/alpha" ALT="alpha" ALIGN="TOP"/> phase was attributed to the heating effect produced by the action of an electric discharge during the first stages of the process. The analysis of the x-ray diffraction patterns indicates the formation of several iron nitrides. The Fe3N phase exhibits a progressive decrease in the interplanar distances, which is clearly a different behaviour with respect to the other observed phases, even considering a phase with nearly the same stoichiometry.

  1. 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.

  2. 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

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

    DOE PAGES

    Zhang, Shiran; Shan, Junjun; Nie, Longhui; ...

    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

  4. 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.

  5. The structure function as a metric for roughness and figure

    NASA Astrophysics Data System (ADS)

    Parks, Robert E.; Tuell, Michael T.

    2016-09-01

    As optical designs become more sophisticated and incorporate aspheric and free form surfaces, the need to specify limits on mid-spatial frequency manufacturing errors becomes more critical, particularly as we better understand the effects of these errors on image quality. While there already exist methods based on Fourier analysis to specify these errors in most commercial interferometry software, the method of calculation and the power spectral density (PSD) results remain obscure to many in the optical design and manufacturing field. We suggest that the structure functions (SF) contains the same information as in the Fourier based PSD but in a way that is much more transparent to analysis, interpretation and application as a specification. The units of measure are more familiar and the concept behind the analysis is simpler to understand. Further, the information contained in the structure function (or PSD) allows a complete specification of an optical surface from the finest measurable detail of roughness to the overall figure. We discuss the origin of the structure function in the field of astronomy to describe the effects of air turbulence on image quality, the simple mathematical definition of the structure function and its easy means of calculation and how its results should be scaled depending on the location of the optical surface in a system from pupil to image plane. Finally, we give an example of how to write a specification of an optical surface using the structure function.

  6. 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.

  7. Structural Function Analysis of Selected Luminous Blue Variables in the Local Group

    NASA Astrophysics Data System (ADS)

    Gantchev, Gantcho; Valcheva, Antoniya; Nedialkov, Petko; Ovcharov, Evgeni

    2017-01-01

    We compiled historical observations spanning ˜100 yr period for a dozen of the best studied LBVs in the Local Group. We constructed structure functions for their light curves and calculated two parameters that describe the LBVs' behavior: structure function slope and characteristic time scale. The sensitivity of these parameters to the variability behavior of the stars was tested with a number of photometric data sets. The slope of the structure function may anti-correlate with the time scale. Our preliminary analysis hints that the time scale of the LBVs may be used to extend the period-luminosity relation, combining classical Cepheids and LBVs, and using the LBVs as an extragalactic distance indicator.

  8. Photosynthetic activity, photoprotection and photoinhibition in intertidal microphytobenthos as studied in situ using variable chlorophyll fluorescence

    NASA Astrophysics Data System (ADS)

    Serôdio, João; Vieira, Sónia; Cruz, Sónia

    2008-06-01

    The photosynthetic activity of microphytobenthos biofilms was studied in situ on an intertidal mudflat of the Ria de Aveiro, Portugal. Time series of physical variables characterizing the microenvironment at the sediment photic zone (incident solar irradiance, temperature, salinity), photophysiological parameters and productive biomass of undisturbed microalgal assemblages were measured during daytime low-tide periods along one spring-neap tidal cycle, with the objective of (1) characterizing the short-term variability in photosynthetic activity in situ, (2) relating it with the changing environmental conditions and (3) with the operation of physiologically (xanthophyll cycle) and behaviorally (vertical migration) based photoprotective processes, and (4) assessing the occurrence of photoinhibition. Pulse Amplitude Modulated (PAM) fluorometry was applied to measure photosynthetic activity (the effective and maximum quantum yield of photosystem II, Δ F/ Fm' and Fv/ Fm; the photosynthesis index EFY; rapid light-response curves (RLC)), the photoprotective operation of the xanthophyll cycle and photoinhibition (non-photochemical quenching, NPQ; quantum efficiency of open RCs, Fv'/ Fm'), and vertical migration (productive biomass, Fo). The photosynthetic activity was found to be strongly affected by the cumulative light dose received during the morning low-tide periods. The fluorescence indices Δ F/ Fm', EFY, Fv'/ Fm' and RLC parameters were more depressed under high irradiances when clear sky was present during the morning low tide than when foggy conditions reduced the light dose received during a comparable period. Productive biomass exhibited maximum values in the first hours of the morning, followed by a steep decrease when irradiance reached moderate levels, due to the downward migration of the microalgae. This photophobic migratory response appeared to display a photoprotective role, allowing Δ F/ Fm' to remain near optimum values until irradiance reached

  9. 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

  10. Field study of nitrous oxide production with in situ aeration in a closed landfill site.

    PubMed

    Nag, Mitali; Shimaoka, Takayuki; Nakayama, Hirofumi; Komiya, Teppei; Xiaoli, Chai

    2016-03-01

    Nitrous oxide (N(2)O) has gained considerable attention as a contributor to global warming and depilation of stratospheric ozone layer. Landfill is one of the high emitters of greenhouse gas such as methane and N(2)O during the biodegradation of solid waste. Landfill aeration has been attracted increasing attention worldwide for fast, controlled and sustainable conversion of landfills into a biological stabilized condition, however landfill aeration impel N(2)O emission with ammonia removal. N(2)O originates from the biodegradation, or the combustion of nitrogen-containing solid waste during the microbial process of nitrification and denitrification. During these two processes, formation of N(2)O as a by-product from nitrification, or as an intermediate product of denitrification. In this study, air was injected into a closed landfill site and investigated the major N(2)O production factors and correlations established between them. The in-situ aeration experiment was carried out by three sets of gas collection pipes along with temperature probes were installed at three different distances of one, two and three meter away from the aeration point; named points A-C, respectively. Each set of pipes consisted of three different pipes at three different depths of 0.0, 0.75 and 1.5 m from the bottom of the cover soil. Landfill gases composition was monitored weekly and gas samples were collected for analysis of nitrous oxide concentrations. It was evaluated that temperatures within the range of 30-40°C with high oxygen content led to higher generation of nitrous oxide with high aeration rate. Lower O(2) content can infuse N(2)O production during nitrification and high O(2) inhibit denitrification which would affect N(2)O production. The findings provide insights concerning the production potentials of N(2)O in an aerated landfill that may help to minimize with appropriate control of the operational parameters and biological reactions of N turnover. Investigation of

  11. 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

  12. 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

  13. I Situ Electrochemical Scanning Tunneling Microscopy Study of Dealloying and Stress Corrosion Cracking of Copper - Alloys.

    NASA Astrophysics Data System (ADS)

    Chen, Jin-Syung Fred

    The mechanism of stress corrosion cracking (SCC) of Cu-30Au in 0.6 M NaCl was investigated by a series of experiments, in which samples were dealloyed (i.e., selective removal of copper atoms) by potentiostatic anodic polarization at zero applied stress (i) for varying lengths of time (10 seconds to 30 minutes) and then impact bent, and (ii) for 30 minutes followed by a period of time (5 seconds to 10 minutes) at the open circuit potential and then impact bent. The results indicate that dealloying at zero applied stress produces a surface porous layer that is capable, for a brief period of time (<= ~ 15 seconds), of inducing intergranular cleavage failure of the normally ductile FCC substrate. However, for time >15 seconds at open circuit potential, aging or coarsening reverses the ability of the surface layer to induce cleavage. In addition, samples were dealloyed and simultaneously stressed at various nominal values. At low values of applied stress, failure occurred by brittle intergranular cracking (IGSCC); and at high values of stress, failure occurred by brittle transgranular cracking (TGSCC). The results indicate that the mechanism of IGSCC is identical to that of TGSCC and can best be described by a modification of the "film-induced cleavage" model. The implication of the aging phenomenon to the film-induced cleavage model of stress corrosion cracking is also discussed. An electrochemical scanning tunneling microscope (ESTM) was built and used to study the in-situ dealloying process of thin-film Cu-Au alloys. Thin-films of Cu-75 at%Au alloy were prepared by thermal evaporation of the bulk alloy and deposition of the vapor onto heated mica. The surface structure of the thin film thus grown consists of terrace of well defined (111) planes separated by atomic height steps. The results from in-situ ESTM indicate that if applied potentials were lower than the critical potential (E_{rm c}), dissolution of Cu preferentially occurred at the low coordination sites

  14. The high - low-p clinoenstatite transition: in situ xrd and ultrasonic study

    NASA Astrophysics Data System (ADS)

    Müller, H. J.; Wunder, B.; Lathe, C.; Schilling, F. R.

    2003-04-01

    Using single-crystal X-ray diffraction analyses in a diamond anvil cell Angel et al. (1992) published the transformation of MgSiO_3 from LCEn to a C2/c-polymorph (HCEn) at around 5.5 - 8.0 GPa and room-T (RT)conditions. This LCEn - HCEn-transition is not quenchable. However, the knowledge of the exact phase boundary positions for the MgSiO_3-transitions is essential as pyroxene is an important component of the Earth's mantle and will significantly influence elastic properties (e.g. v_p, v_s) of the mantle. We determined the HCEn - LCEn-transition by in-situ XRD experiments under high P, T using the multi-anvil appar atus MAX80 at the synchrotron facility HASYLAB, Hamburg. Our preliminary results only represent the minimum P-conditions of the HCEn - LCEn phase boundary, which is approximated by equation P (GPa) = 0.0021T (/C) + 6.06. Nevertheless, our results are in good agreement to data published by Angel & Hugh-Jones (1994). The invariant point defined by the intersection of the HCEn - LCEn equilibrium determined within this study and the OEn - LCEn reaction after Angel &Hugh-Jones (1994) lies at about 7.9 GPa and 875/C. This is in contrast to earlier experimental results of Kanzaki (1991) and Ulmer &Stalder (2001). The samples for the ultrasonic interferometry experiments were prepared by hot-isostatic pressing also using the MAX80. Adjacent XRD ruled out any phase transition during the hip-process. For the ultrasonic measurements one of the six anvils of MAX80 were exchanged by an anvil equipped with lithium niobate p- and s-wave transducers of 33.3 MHz natural frequency (Mueller et al., 2002). Corresponding to the XRD experiments HCEn was formed by increasing the pressure at RT. The velocities of elastic compressional and shear waves were measured under in situ conditions using the classical digital sweep technique. After the phase transition to LCEn as a result of rising the temperature at given pressure the measurements were repeated. The newly developed

  15. 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,…

  16. 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,…

  17. 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.

  18. 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

  19. Structure/Function/Dynamics of Photosystem II Plastoquinone Binding Sites

    PubMed Central

    Lambreva, Maya D.; Russo, Daniela; Polticelli, Fabio; Scognamiglio, Viviana; Antonacci, Amina; Zobnina, Veranika; Campi, Gaetano; Rea, Giuseppina

    2014-01-01

    Photosystem II (PSII) continuously attracts the attention of researchers aiming to unravel the riddle of its functioning and efficiency fundamental for all life on Earth. Besides, an increasing number of biotechnological applications have been envisaged exploiting and mimicking the unique properties of this macromolecular pigment-protein complex. The PSII organization and working principles have inspired the design of electrochemical water splitting schemes and charge separating triads in energy storage systems as well as biochips and sensors for environmental, agricultural and industrial screening of toxic compounds. An intriguing opportunity is the development of sensor devices, exploiting native or manipulated PSII complexes or ad hoc synthesized polypeptides mimicking the PSII reaction centre proteins as bio-sensing elements. This review offers a concise overview of the recent improvements in the understanding of structure and function of PSII donor side, with focus on the interactions of the plastoquinone cofactors with the surrounding environment and operational features. Furthermore, studies focused on photosynthetic proteins structure/function/dynamics and computational analyses aimed at rational design of high-quality bio-recognition elements in biosensor devices are discussed. PMID:24678671

  20. Nucleome Analysis Reveals Structure-Function Relationships for Colon Cancer.

    PubMed

    Seaman, Laura; Chen, Haiming; Brown, Markus; Wangsa, Darawalee; Patterson, Geoff; Camps, Jordi; Omenn, Gilbert S; Ried, Thomas; Rajapakse, Indika

    2017-07-01

    Chromosomal translocations and aneuploidy are hallmarks of cancer genomes; however, the impact of these aberrations on the nucleome (i.e., nuclear structure and gene expression) is not yet understood. Here, the nucleome of the colorectal cancer cell line HT-29 was analyzed using chromosome conformation capture (Hi-C) to study genome structure, complemented by RNA sequencing (RNA-seq) to determine the consequent changes in genome function. Importantly, translocations and copy number changes were identified at high resolution from Hi-C data and the structure-function relationships present in normal cells were maintained in cancer. In addition, a new copy number-based normalization method for Hi-C data was developed to analyze the effect of chromosomal aberrations on local chromatin structure. The data demonstrate that at the site of translocations, the correlation between chromatin organization and gene expression increases; thus, chromatin accessibility more directly reflects transcription. In addition, the homogeneously staining region of chromosome band 8q24 of HT-29, which includes the MYC oncogene, interacts with various loci throughout the genome and is composed of open chromatin. The methods, described herein, can be applied to the assessment of the nucleome in other cell types with chromosomal aberrations.Implications: Findings show that chromosome conformation capture identifies chromosomal abnormalities at high resolution in cancer cells and that these abnormalities alter the relationship between structure and function. Mol Cancer Res; 15(7); 821-30. ©2017 AACR. ©2017 American Association for Cancer Research.

  1. 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.

  2. 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.

  3. a Study on Microstructure Characteristics of IN SITU Formed TiC Reinforced Composite Coatings

    NASA Astrophysics Data System (ADS)

    Liu, Peng; Guo, Wei; Luo, Hui

    2012-04-01

    In situ synthesized TiC reinforced composite coating was fabricated by laser cladding of Al-Ni-Cr-C powders on titanium alloys, which can greatly improve the surface performance of the substrate. In this study, the Al-Ni-Cr-C laser-cladded composite coatings have been researched by means of X-ray diffraction, scanning electron microscope (SEM) and electron probe micro-analyzer (EPMA). There was a metallurgical combination between the Al-Ni-Cr-C laser-cladded coating and the Ti-6Al-4V substrate, and the micro-hardness of the Al-Ni-Cr-C laser-cladded coating was in the range of 1200-1450 HV0.2, which was 3-4 times higher than that of Ti-6Al-4V substrate. Furthermore, the reinforcement of theAl-Ni-Cr-C laser-cladded coating were mainly contributed to the action of the TiC, Ti3Al, Cr7C3, Al8Cr5 phases and the solution strengthening.

  4. 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.

  5. 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.; ...

    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

  6. In situ Raman spectroscopic study of marble capitals in the Alhambra monumental ensemble

    NASA Astrophysics Data System (ADS)

    Arjonilla, Paz; Domínguez-Vidal, Ana; de la Torre López, María José; Rubio-Domene, Ramón; Ayora-Cañada, María José

    2016-12-01

    The marble capitals of five different sites in the Alhambra complex (Granada, Spain), namely the Mexuar, the Hall of the Abencerrages, the Hall of the Kings, the Court of the Myrtles and the Court of the Main Canal, have been investigated. The decoration of the capitals exhibits mainly blue, red, black and gilding motifs with different states of conservation. The work has been carried out in situ by means of a portable Raman micro-spectrometer with an excitation laser of 785 nm. In addition to preserving the artwork with a non-invasive study, the on-site investigation gives a more representative knowledge of the art objects because the measurements are not limited to the samples that can be taken (few and small). The obtained Raman spectra were of good quality despite challenging adverse conditions out of the laboratory. Cinnabar, minium, carbon black, natural lapis lazuli and azurite were the main pigments found. Synthetic ultramarine blue was also detected in a capital as a result of a modern restoration. Degradation products as tin oxide in the gildings and weddellite in the preparation layers were also identified. All the results together with a careful visual inspection can be combined to elucidate the different execution techniques employed to apply the pigments on the marble substrate of the capitals in the Nasrid and Christian periods.

  7. Reactive Microplasma Discharge for In-Situ Study of Surface Modification

    NASA Astrophysics Data System (ADS)

    Gershman, Sophia; Raitses, Yevgeny

    2016-09-01

    In-situ evaluation of surface modifications induced by reactive plasma-surface interactions is an important part of the fundamental studies of the processes at plasma-surface interfaces. We have developed a microdischarge cell for use inside an Environmental Scanning Electron Microscope (ESEM). Plasma is ignited inside hollow cylindrical electrode and interacts with ta grounded substrate. The substrate is interchangeable and the plasma gasses CO2, N2, water vapor, are consistent with the requirements of the ESEM. The microdischarge cell has been characterized at 2-8 torr and tested in an ESEM in a hollow cathode (MHC) or a hollow anode (MHA) configuration. The electrical measurements show that the MHC configuration has lower reduced field and higher plasma density than MHA. The optical emission spectra of the CO and N2 bands and H lines were used to find the rotational temperature of 450 K in both configurations, and the vibrational temperature of 3700 K for the MHC and 4500 K for the MHA. The electron excitation temperature is higher in the MHA configuration. MHA can potentially offer a better controllability of the electron energy distribution function, which is useful for micro plasma applications. This work was supported by the US Airforce.

  8. Neutron Radiography and Tomography for the in situ Study of Geological Samples

    NASA Astrophysics Data System (ADS)

    Hussey, D. S.; Jacobson, D. L.; LaManna, J.; Baltic, E.

    2016-12-01

    Neutron radiography and tomography are powerful methods to non-destructively study geological specimens in controlled laboratory experiments in situ. This is due to the remarkable nature of neutrons to penetrate high Z materials and still maintain sensitivity to small quantities of liquid water or hydrocarbons bound inside or flowing through geological specimens. The use of neutron imaging as a tool for geology is a relatively recent development. The National Institute of Standards and Technology Center for Neutron Research has two neutron imaging user facilities available to the geology community. Here we will introduce the facilities, method, present data and show how technique applies to geology specimens. We will examine how to quantify the data and the show basic analysis methods and tools that have been developed to convert neutron radiographs into quantifiable information relevant to the geology community. Also the way that the attenuation coefficients for specific rock specimens and the effect of beam hardening will be presented. The freely available software tools used for this analysis will be discussed as well.

  9. Dispersion stabilization of silver nanoparticles in synthetic lung fluid studied under in situ conditions.

    PubMed

    MacCuspie, Robert I; Allen, Andrew J; Hackley, Vincent A

    2011-06-01

    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(-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.

  10. 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.

  11. Slip-System-Related Dislocation Study from In-Situ Neutron Measurements

    SciTech Connect

    Huang, E-Wen; Barabash, Rozaliya; Jia, Nan; Wang, Yandong; Ice, Gene E; Clausen, Bjorn; Horton Jr, Joe A; Liaw, Peter K

    2008-01-01

    A combined experimental/computational approach is employed to study slip-system-related dislocation-substructure formation during uniaxial tension of a single-phase, face-centered-cubic (fcc), nickel-based alloy. In-situ neutron-diffraction measurements were conducted to monitor the peak-intensity, peak-position, and peak-broadening evolution during a displacement-controlled, monotonic-tension experiment at room temperature. The measured lattice-strain evolution and the macrostress/macrostrain curves were used to obtain the material parameters required for simulating the texture development by a visco-plastic self-consistent (VPSC) model. The simulated texture compared favorably with experimentally-determined texture results over a range of 0 to 30 pct engineering strain. The grain-orientation-dependent input into the Debye-intensity ring was considered. Grains favorably oriented relative to the two detector banks in the geometry of the neutron experiment were indicated. For the favorably oriented grains, the simulated slip-system activity was used to calculate the slip-system-dependent, dislocation-contrast factor. The combination of the calculated contrast factor with the experimentally-measured peak broadening allows the assessment of the parameters of the dislocation arrangement within the specifically oriented grains, which has a quantitative agreement with the transmission-electron-microscopy results.

  12. Kinetics of methane hydrate decomposition studied via in situ low temperature X-ray powder diffraction.

    PubMed

    Everett, S Michelle; Rawn, Claudia J; Keffer, David J; Mull, Derek L; Payzant, E Andrew; Phelps, Tommy J

    2013-05-02

    Gas hydrate is known to have a slowed decomposition rate at ambient pressure and temperatures below the melting point of ice. As hydrate exothermically decomposes, gas is released and water of the clathrate cages transforms into ice. Based on results from the decomposition of three nominally similar methane hydrate samples, the kinetics of two regions, 180-200 and 230-260 K, within the overall decomposition range 140-260 K, were studied by in situ low temperature X-ray powder diffraction. The kinetic rate constants, k(a), and the reaction mechanisms, n, for ice formation from methane hydrate were determined by the Avrami model within each region, and activation energies, E(a), were determined by the Arrhenius plot. E(a) determined from the data for 180-200 K was 42 kJ/mol and for 230-260 K was 22 kJ/mol. The higher E(a) in the colder temperature range was attributed to a difference in the microstructure of ice between the two regions.

  13. 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. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. In situ Raman study of Electrochemically Intercalted Bisulfate Ions in Carbon Nanotube Bundles

    NASA Astrophysics Data System (ADS)

    Sumanasekera, G. U.; Allen, J. L.; Rao, A. M.; Fang, S. L.; Eklund, P. C.

    1998-03-01

    We have investigated the electrochemical intercalation of bisulfate ions in single-walled carbon nanotubes (SWNT) using in situ Raman spectroscopy. SWNTs pressed onto a Pt plate was used as the working electrode, a Pt wire and Ag/AgCl were used, respectively, as the counter electrode and reference electrode. Sulfuric acid (95%) was used as the electrolyte. Using Raman scattering we have observed an apparent rapid spontaneous reaction involving charge transfer between ionically bonded HSO_4^- anions and the nanotubes. This is evidenced by an instantaneous shift of the Raman-active tangential mode frequency from 1593 cm -1 to 1604 cm-1 (It was not possible to reverse this shift electrochemically to 1593 cm-1, even at the expense of large reverse bias). In forward bias, after this initial instantaneous reaction, the tangential mode frequency again upshifted from 1604 cm-1 to 1614 cm-1 linearly with external electrochemical charge Q. From the slope of ω(Q) we found in this regime, δω/δ f= 1220 cm-1 (f = holes/carbon). Upon further charging, a second regime with slope δω/δ f = 118 cm-1 was observed where the frequency upshifted from 1614 cm-1 to 1620 cm-1. The results are compared to similar studies in C_p^+HSO_4^-.xH_2SO4 graphite intercalation compounds.

  15. Belowground carbon allocation dynamics in changing environments: insights from in situ pulse labeling studies

    NASA Astrophysics Data System (ADS)

    Bahn, M.

    2012-12-01

    Belowground carbon (C) allocation is a key process in ecosystems: it plays an important role for plant C storage, fuels root metabolism and provides substrates for soil microorganisms, with strong implications for microbial community composition and activity and thus soil organic matter turnover. Belowground C allocation has been well studied in young plants and mesocosms, and as long-term patterns in ecosystems. Much less is known on the short-term dynamics of C allocation in mature plants and ecosystems, which reflect more closely the actual processes underlying observed C allocation patterns and the mechanisms determining responses to changing environmental conditions. C allocation dynamics can best be analyzed with isotopic pulse labeling experiments, which permit a tracing of recently photo-assimilated C to carbohydrate pools, microbial communities and respiratory fluxes. This overview talk will highlight the potential and limitations of in situ isotopic tracer experiments for assessing belowground C allocation dynamics in changing environments, summarize some major recent findings and point towards emerging research questions.

  16. In situ study of dynamic recrystallization and hot deformation behavior of a multiphase titanium aluminide alloy

    NASA Astrophysics Data System (ADS)

    Liss, Klaus-Dieter; Schmoelzer, Thomas; Yan, Kun; Reid, Mark; Peel, Matthew; Dippenaar, Rian; Clemens, Helmut

    2009-12-01

    Hot-compression tests were conducted in a high-energy synchrotron x-ray beam to study in situ and in real time microstructural changes in the bulk of a β-solidifying titanium aluminide alloy. The occupancy and spottiness of the diffraction rings have been evaluated in order to access grain growth and refinement, orientation relationships, subgrain formation, dynamic recovery, and dynamic recrystallization, as well as phase transformations. This method has been applied to an alloy consisting of two coexisting phases at high temperature and it was found that the bcc β-phase recrystallizes dynamically, much faster than the hcp α-phase, which deforms predominantly through crystallographic slip underpinned by a dynamic recovery process with only a small component of dynamic recrystallization. The two phases deform to a very large extent independently from each other. The rapid recrystallization dynamics of the β-phase combined with the easy and isotropic slip characteristics of the bcc structure explain the excellent deformation behavior of the material, while the presence of two phases effectively suppresses grain growth.

  17. ARPES study of the YBCO phase diagram by in-situ K evaporation

    NASA Astrophysics Data System (ADS)

    Fournier, D.; Levy, G.; McCheyney, J. L.; Bostwick, A.; Rotenberg, E.; Hardy, W. N.; Liang, R. X.; Bonn, D. A.; Elfimov, I. S.; Damascelli, A.

    2010-03-01

    The study of the YBCO phase diagram by ARPES has become of central interest since the observation of quantum oscillations in high-magnetic field [1]. However, until recently accessing the various electronic phases by photoemission has been hampered by the so-called polar catastrophe [2]. In this work, the overdoped metal (OD, p=0.37, Tc=0), the superconducting phase (OP, Tsitu K evaporation). This reveals that the dispersion, as well as the arc topology of the low energy excitations of the normal state, are universal [3]. While no traces of an electronic reconstruction have been observed in YBCO, we are able to identify the doping value at which the Luttinger description breaks down upon underdoping.[1] N. Doiron-Leyraud et al., Nature 447, 565 (2007).[2] M. A. Hossain et al., Nat. Phys. 4, 527 (2008).[3] K. M. Shen et al., Science 307, 901 (2005).

  18. Spreading of individual toner particles studied using in situ optical microscopy.

    PubMed

    Pettersson, Torbjörn; Fogden, Andrew

    2005-07-01

    This study develops and tests an experimental method to monitor in situ the dynamic spreading of individual toner particles on model substrates during heating, to simulate on laboratory scale the fusing sub-processes occurring in electrophotographic printing of paper. Real toner particles of cyan, magenta, yellow and black are transformed to perfect spheres by a temperature pre-treatment, then applied to the substrate, either high-energy clean glass or low-energy hydrophobised glass, and heated at rates up to 50 degrees C/min. The subsequent spreading as a function of time (and temperature) is recorded by an optical microscope and CCD camera mounted above the substrate, with the measured drop covering area used to calculate the corresponding toner-substrate-air contact angle. On the hydrophobic substrate the spreading is limited and equal for all four colours, while the substantially greater spreading on the hydrophilic substrate is accompanied by significant differences between the toner colours. In particular, the cyan and black toners are found to spread to almost twice the extent of the yellow particles. The dynamic spreading behaviour is interpreted in terms of complementary measurements of substrate and toner surface energy components and bulk toner rheology, and a simple empirical relation is proposed that fits very well the measurements for all toner and substrate types tested. In particular, the spreading relation is found to be determined only by the toner surface energy and its equilibrium contact angle, with no explicit dependence on toner viscosity.

  19. 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

  20. 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.

  1. TEM in situ deformation study of the interaction of lattice dislocations with grain boundaries in metals

    SciTech Connect

    Lee, T.C.; Robertson, I.M.; Birnbaum, H.K. )

    1990-01-01

    The passage of dislocations across grain boundaries in metals has been studied by using the in situ TEM deformation technique. A detailed analysis of the interaction of glissile matrix dislocations with grain-boundary dislocations has been performed. The results show that the dislocations piled-up at the grain boundary can: (1) be transferred directly through the grain boundary into the adjoining grain; (2) be absorbed and transformed into extrinsic grain-boundary dislocations; (3) be accommodated in the grain boundary, followed by the emission from the grain boundary of a matrix dislocation; and (4) be ejected back into their original grain. To predict which slip system is favorable for slip transfer, three criteria have been considered, namely: (1) the angle between the lines of intersection of the incoming and outgoing slip lanes with the grain boundary, this should be as small as possible; (2) the resolved shear stress acting on the possible slip systems in the adjoining grain, this should be large and (3) the magnitude of the Burgers vector of the extrinsic dislocations left at the grain boundary following emission of dislocations, this should be a minimum. The Burgers vector of the generated dislocation is dictated primarily by condition (3).

  2. Underpotential deposition of Cd on Ag(1 1 1): an in situ STM study

    NASA Astrophysics Data System (ADS)

    García, S. G.; Salinas, D. R.; Staikov, G.

    2005-02-01

    The kinetics and mechanism of Cd underpotential deposition (UPD) and involved surface alloy formation processes in the system Ag(1 1 1)/Cd 2+, SO42-, are studied by means of combined electrochemical measurements and in situ scanning tunneling microscopy (STM). The results show that the UPD process starts with a formation of an expanded (diluted) adlayer with a superlattice structure Ag(1 1 1)- (√{3}×√{19})R23.4°. In the underpotential range 50 mV < Δ E < 80 mV this adlayer transforms to a condensed close packed Cd monolayer via a first order phase transition. At long polarization times the condensed monolayer undergoes structural changes involving place exchange processes between Cd atoms and surface Ag atoms. A formation of a second Cd monolayer and a significant Ag-Cd surface alloying take place at lower underpotentials (Δ E < 50 mV). The kinetics of surface alloying are analyzed on the basis of a recently proposed diffusion model including a relatively fast initial formation of a very thin surface alloy film and a subsequent slow alloy growth controlled by solid state diffusion. The anodic dealloying results in an appearance of monatomically deep pits, which disappear quickly at relatively high underpotentials (Δ E > 550 mV) indicating a high mobility of surface Ag atoms.

  3. Laboratory study of polymer solutions used for mobility control during in situ NAPL recovery

    SciTech Connect

    Martel, K.E.; Martel, R.; Lefebvre, R.; Gelinas, P.J.

    1998-12-31

    The use of surfactant solutions for the in situ recovery of residual NAPL in aquifers is increasingly considered as a viable remediation technique. The injection of a few pore volumes of high-concentration surfactant solutions can mobilize or solubilize most of the residual NAPL contacted by the solutions. However, the washing solutions` physico-chemical properties (low density and high viscosity), combined with the natural porous media heterogeneity, can prevent a good sweep of the entire contaminated volume. The objective of this laboratory study is first to select and characterize polymers that would be suitable for aquifer restoration. Their experiments showed that among several polymers, xanthan gum is the most suitable for aquifer remediation. An evaluation of xanthan gum solution rheology was made in order to predict shear rates, xanthan gum concentrations, salinity, and temperature effects on solution viscosity. The second set of experiments were made with a sand box which was designed to reproduce a simple heterogeneous media consisting of layers of sand with different permeability. These tests illustrate the xanthan gum solution`s ability to increase surfactant solution`s sweep efficiency and limit viscous fingering.

  4. 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.

  5. 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.

  6. Aging behavior of lithium iron phosphate based 18650-type cells studied by in situ neutron diffraction

    NASA Astrophysics Data System (ADS)

    Paul, Neelima; Wandt, Johannes; Seidlmayer, Stefan; Schebesta, Sebastian; Mühlbauer, Martin J.; Dolotko, Oleksandr; Gasteiger, Hubert A.; Gilles, Ralph

    2017-03-01

    The aging behavior of commercially produced 18650-type Li-ion cells consisting of a lithium iron phosphate (LFP) based cathode and a graphite anode based on either mesocarbon microbeads (MCMB) or needle coke (NC) is studied by in situ neutron diffraction and standard electrochemical techniques. While the MCMB cells showed an excellent cycle life with only 8% relative capacity loss (i.e., referenced to the capacity after formation) after 4750 cycles and showed no capacity loss on storage for two years, the needle coke cells suffered a 23% relative capacity loss after cycling and a 11% loss after storage. Based on a combination of neutron diffraction and electrochemical characterization, it is shown that the entire capacity loss for both cell types is dominated by the loss of active lithium; no other aging mechanisms like structural degradation of anode or cathode active materials or deactivation of active material could be found, highlighting the high structural stability of the active material and the excellent quality of the investigated cells.

  7. 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.

  8. Gelatinolytic activity of matrix metalloproteinase in lung cancer studied using film in situ zymography stamp method.

    PubMed

    Kaji, Masahiro; Moriyama, Satoru; Sasaki, Hidefumi; Saitoh, Yushi; Kiriyama, Masanobu; Fukai, Ichiro; Yamakawa, Yosuke; Mitsui, Akira; Toyama, Tatsuya; Nemori, Ryoichi; Fujii, Yoshitaka

    2003-02-01

    In this study, we investigated activity of matrix metalloproteinase (MMP) of lung cancer by newly developed film in situ zymography (FIZ) stamp method, which allows visual localization of gelatinolytic activity within the cut surface of a tumor. We performed FIZ stamp method and conventional gelatin zymography in 39 resected specimen of lung cancer. The degree of gelatinolytic activity was scored (FIZ score) and correlated with the clinicopathological factors of the tumor. FIZ score of normal lung was very low. Lung cancer tissue had consistently higher FIZ score than the matched normal lung tissue. There were statistically significant differences in the FIZ score according to the pathological stage (P = 0.0015), nodal status (P = 0.0007) and lymphatic invasion (P = 0.0004). Direct correlation was observed between the FIZ score and MMP-2 activity (rho = 0.568, P = 0.0030) as quantitated using conventional gelatin zymography. MMP-2 may play an important role in the lymphatic invasion of lung cancer. FIZ stamp method may be a simple and useful diagnostic aid for the presence of cancer cells in the resected specimen.

  9. In situ speciation studies of copper in the electroplating sludge under an electric field.

    PubMed

    Liu, S-H; Wang, H Paul

    2004-08-01

    Speciation of copper in the electrokinetic treatments of an industrial sludge was studied by in situ extended X-ray absorption fine structural (EXAFS) and X-ray absorption near-edge structural (XANES) spectroscopies in the present work. The least-square fits (LSF) of the XANES spectra indicated that the main copper species in the sludge were Cu(NO)(3) (82%) and adsorbed copper (Cu/SiO(2)) (17%). Copper in the sludge possessed a Cu-O bond distance of 1.97A with a coordination number (CN) of 3.8. In the second shells, the bond distance of Cu-(O)-Si was 3.03A with a CN of 1.5. Most of Cu/SiO(2) was dissolved in the aqueous phase since little Cu-(O)-Si species in the sludge was found after 180 min of the electrokinetic treatments. About 69% of total Cu(II) was dissolved into the aqueous phase and 51% of which was migrated to the cathode under the electric field (5V cm(-1)) for 180 min.

  10. 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.

  11. 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.

  12. A miniature mass analyser for in-situ elemental analysis of planetary material-performance studies.

    PubMed

    Tulej, M; Iakovleva, M; Leya, I; Wurz, P

    2011-02-01

    The performance of a laser ablation mass analyser designed for in-situ exploration of the chemical composition of planetary surfaces has been investigated. The instrument measures the elemental and isotopic composition of raw solid materials with high spatial resolution. The initial studies were performed on NIST standard materials using IR laser irradiance (< 1 GW cm(-2)) at which a high temporal stability of ion formation and sufficiently low sample consumption was achieved. Measurements of highly averaged spectra could be performed with typical mass resolution of m/Δm ≈ 600 in an effective dynamic range spanning seven decades. Sensitive detection of several trace elements can be achieved at the ~ ppm level and lower. The isotopic composition is usually reproduced with 1% accuracy, implying good performance of the instrument for quantitative analysis of the isotopic fractionation effects caused by natural processes. Using the IR laser, significant elemental fractionation effects were observed for light elements and elements with a high ionization potential. Several diatomic clusters of major and minor elements could also be measured, and sometimes these interfere with the detection of trace elements at the same nominal mass. The potential of the mass analyser for application to sensitive detection of elements and their isotopes in realistic samples is exemplified by measurements of minerals. The high resolution and large dynamic range of the spectra makes detection limits of ~100 ppb possible.

  13. 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.

  14. [In situ FTIR spectroscopy studies of HCOOH oxidation on surface alloy electrocatalysts].

    PubMed

    Chen, Sheng-pei; Huang, Tao; Zhen, Chun-hua; Zhang, Qi; Gong, Hui; Sun, Shi-gang

    2003-04-01

    Electrocatalytic properties of three electrodes for formic acid oxidation were studied by using electrochemical in situ FTIR spectroscopy and cyclic voltammetry in this paper. It is demonstrated that the electrocatalytical mechanism of formic acid oxidation on platinum-dispersed carbon(Pt/GC) is similar to that on massive platinum, which involves two paths, i.e. one way through active intermediate and the other through poison intermediate to CO2. The Pt/GC exhibits higher catalytivity than pure platinum. The electrode of Pt/GC modified by Sb (Sb-Pt/GC) was also prepared in the work. It was observed that the onset potential (Ei) for formic acid oxidation on Sb-Pt/GC was shift negatively for 0.20 V. The peak potential (Ep) was observed to shifted negatively to 0.34 V and the value of oxidation current (jp) was enhanced nearly 7.28 times. Similar results were also observed on surface alloy/GC prepared. In this case, Ei and Ep were -0.12 and 0.32 V, respectively, jp was enhanced about 8.15 times, and FWHM (full width