Sample records for hydrogen-deuterium exchange studies

  1. OLIGOSACCHARIDE STRUCTURES STUDIED BY HYDROGEN-DEUTERIUM EXCHANGE (HX) AND MALDI-TOF MASS SPECTROMETRY

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Hydrogen-deuterium exchange matrix-assisted laser desorption/ionization - time-of-flight mass spectrometry (HX-MALDI-TOF MS) is reported for the first time for the determination of exchangeable protons in diverse oligosaccharide and glycoconjugate structures. The method is generally analogous to th...

  2. Dual Studies on a Hydrogen-Deuterium Exchange of Resorcinol and the Subsequent Kinetic Isotope Effect

    ERIC Educational Resources Information Center

    Giles, Richard; Kim, Iris; Chao, Weyjuin Eric; Moore, Jennifer; Jung, Kyung Woon

    2014-01-01

    An efficient laboratory experiment has been developed for undergraduate students to conduct hydrogen-deuterium (H-D) exchange of resorcinol by electrophilic aromatic substitution using D[subscript 2]O and a catalytic amount of H[subscript 2]SO[subscript 4]. The resulting labeled product is characterized by [superscript 1]H NMR. Students also…

  3. Hydrogen-deuterium exchange in imidazole as a tool for studying histidine phosphorylation.

    PubMed

    Cebo, Ma?gorzata; Kielmas, Martyna; Adamczyk, Justyna; Cebrat, Marek; Szewczuk, Zbigniew; Stefanowicz, Piotr

    2014-12-01

    Isotope exchange at the histidine C2 atom of imidazole in D2O solution is well known to occur at a significantly slower rate than the exchange of amide protons. Analysis of the kinetics of this isotope-exchange reaction is proposed herein as a method of detecting histidine phosphorylation. This modification of His-containing peptides is challenging to pinpoint because of its instability under acidic conditions as well as during CID-MS analysis. In this work, we investigated the effect of phosphorylation of the histidine side chain in peptides on deuterium-hydrogen exchange (DHX) in the imidazole. The results demonstrate that phosphorylation dramatically slows the rate of the DHX reaction. This phenomenon can be applied to detect phosphorylation of peptides at the histidine residue (e.g., in enzymatic digests). We also found that the influence of the peptide sequence on the exchange kinetics is relatively small. A CID fragmentation experiment revealed that there was no detectable hydrogen scrambling in peptides deuterated at C2 of the imidazole ring. Therefore, MS/MS can be used to directly identify the locations of deuterium ions incorporated into peptides containing multiple histidine moieties. PMID:25354888

  4. Hydrogen-Deuterium Exchange of Meteoritic Dicarboxylic Acids During Aqueous Extraction

    NASA Technical Reports Server (NTRS)

    Fuller, M.; Huang, Y.

    2002-01-01

    This study examines the extent of hydrogen-deuterium exchange on dicarboxylic acids during aqueous extraction. Deuterium enrichment was observed to be a function of diacid structure as well as delta-D. Additional information is contained in the original extended abstract.

  5. Structure and intermolecular dynamics of aggregates populated during amyloid fibril formation studied by hydrogen/deuterium exchange.

    PubMed

    Carulla, Natàlia; Zhou, Min; Giralt, Ernest; Robinson, Carol V; Dobson, Christopher M

    2010-08-17

    The aggregation of proteins into amyloid fibrils is a complex and fascinating process associated with debilitating clinical disorders such as Alzheimer's and Parkinson's diseases. The process of aggregation involves a series of steps during which many intermediate aggregation states are populated. Recent evidence points to these intermediate states as the toxic moieties primarily responsible for cell damage or cell death, which are critical steps in the origin and progression of these disorders. To understand the molecular basis of these diseases, it is crucial to investigate and define the details of the aggregation process, and to achieve this objective, researchers need the tools to characterize the structure and kinetics of interconversion of the various species present during amyloid fibril formation. Hydrogen-deuterium (HD) exchange experiments are based on solvent accessibilities and provide one means by which this kind of information may be acquired. In this Account, we describe research based on HD exchange processes that is directed toward better understanding the dynamics and structural reorganizations involved in the formation of amyloid fibrils. Amide hydrogens that normally undergo rapid exchange with solvent hydrogens experience much slower exchange when involved in H-bonded structures or when sterically inaccessible to the solvent. The rates of exchange can be monitored by replacing some hydrogens with deuterons. When peptide and protein molecules assemble into amyloid fibrils, the fibrils contain a core region based on repetitive arrays of beta-sheets oriented parallel to the fibril axis. HD experiments have been applied extensively to map such structures in different amyloid fibril systems. By an extension of this approach, we have observed that HD exchange can be governed by a mechanism through which molecules making up the fibrils are continuously dissolving and reforming, revealing that amyloid fibrils are not static but dynamic structures. Under such circumstances, the kinetic parameters that define this "recycling" behavior can be determined, and they contain information that could be of significant value in the design of therapeutic strategies directed against amyloid-related diseases. More recently, to gain insights into the variety of intermediates that are thought to be involved in the aggregation process, we have applied a kinetic pulse labeling HD experiment that is able to characterize such species even if they are only transiently populated. Using this approach, we have been able to obtain structural insights into the different aggregates populated during the process of amyloid fibril formation as well as kinetic and mechanistic information on the structural reorganizations that take place during aggregation. HD exchange experiments, when carefully designed, constitute powerful tools for mapping the core structures of amyloid fibrils, for investigating the recycling of fibril components, and for characterizing the various types of structural reorganization that occur during aggregation. Such information is invaluable for understanding and addressing the molecular origins of the increasingly common and highly debilitating diseases associated with protein misfolding and aggregation. PMID:20557067

  6. Online hydrogen/deuterium exchange performed in the ion mobility cell of a hybrid mass spectrometer.

    PubMed

    Nagy, Kornél; Redeuil, Karine; Rezzi, Serge

    2009-11-15

    The present paper describes the performance of online, gas-phase hydrogen/deuterium exchange implemented in the ion mobility cell of a quadrupole time-of-flight mass spectrometer. Deuterium oxide and deuterated methanol were utilized to create deuterated vapor that is introduced into the ion mobility region of the mass spectrometer. Hydrogen/deuterium exchange occurs spontaneously in the milliseconds time frame without the need of switching the instrument into ion mobility mode. The exchange was studied in case of low molecular weight molecules and proteins. The observed number of exchanged hydrogens was equal to the number of theoretically exchangeable hydrogens for all low molecular weight compounds. This method needs only minimal instrumental modifications, is simple, cheap, environment friendly, compatible with ultraperformance liquid chromatography, and can be implemented on commercially available instruments. It does not compromise choice of liquid chromatographic solvents and accurate mass or parallel-fragmentation (MS(E)) methods. The performance of this method was compared to that of conventional alternatives where the deuterated solvent is introduced into the cone gas of the instrument. Although the degree of exchange was similar between the two methods, the "cone gas method" requires 10 times higher deuterated solvent volumes (50 muL/min) and offers reduced sensitivity in the tandem mass spectrometry (MS/MS) mode. The presented method is suggested as a standard future element of mass spectrometers to aid online structural characterization of unknowns and to study conformational changes of proteins with hydrogen/deuterium exchange. PMID:19848411

  7. Interdependence of coenzyme-induced conformational work and binding potential in yeast alcohol and porcine heart lactate dehydrogenases: a hydrogen-deuterium exchange study

    SciTech Connect

    De Weck, Z.; Pande, J.; Kaegi, J.H.R.

    1987-07-28

    Binding of NAD coenzymes to yeast alcohol dehydrogenase (YADH) and porcine heart lactate dehydrogenase (PHLDH) was studied by hydrogen-deuterium exchange with the infrared technique. Conformational changes in the enzymes specific to the coenzymes and their fragments were observed, and the pH dependence of the exchange reaction shows that it conforms to the EX-2 scheme. In both YADH and PHLDH the magnitude of the conformational change as measured by exchange retardation is considerably larger for the NAD/sup +/ than for NADH. Studies with coenzyme fragments like ADP-ribose, ADP, and AMP also highlight the lack of rigorous correlation between structural features such as charge and size and their influence on exchange behavior. Ternary complexes such as YADH-NAD/sup +/-pyrazole, PHLDH-NAD/sup +/-oxalate, and PHLDH-NADH-oxamate, which mimic the transition state, have a significantly more pronounced effect on exchange rates than the corresponding binary complexes. The outstanding feature of this study is the demonstration that in the binary enzyme-coenzyme complexes the more loosely bound NAD/sup +/ is more effective in retarding exchange than the more firmly bound NADH. These differences are attributed to the unequal structural constraints exerted by the two coenzymes upon the enzymes, which translate to unequal expenditure of transconformational work in the formation of the two complexes. The opposing variation in the free energy of binding and the transconformational work expended can be viewed as an unequal partitioning of the net free energy gain resulting from the protein-ligand interaction into a binding term and that required for conformational change.

  8. Hydrogen\\/deuterium exchange of hydrophobic peptides in model membranes by electrospray ionization mass spectrometry

    Microsoft Academic Search

    Raino K. Hansen; R. William Broadhurst; Paul C. Skelton; Isaiah T. Arkin

    2002-01-01

    We demonstrate here that the hydrogen\\/deuterium solvent exchange (HDX) properties of the transmembrane fragment of the M2\\u000a protein of Influenza A (M2-TM) incorporated into lipid vesicles or detergent micelles can be studied with straightforward electrospray (ESI) and\\u000a nanospray mass spectrometry (MS) configurations provided that key factors, including sample preparation techniques, are optimized.\\u000a Small unilamellar vesicle preparations were obtained by solubilizing

  9. Recombinant Nepenthesin II for Hydrogen/Deuterium Exchange Mass Spectrometry.

    PubMed

    Yang, Menglin; Hoeppner, Morgan; Rey, Martial; Kadek, Alan; Man, Petr; Schriemer, David C

    2015-07-01

    The pitcher secretions of the Nepenthes genus of carnivorous plants contain a proteolytic activity that is very useful for hydrogen/deuterium exchange mass spectrometry (HX-MS). Our efforts to reconstitute pitcher fluid activity using recombinant nepenthesin I (one of two known aspartic proteases in the fluid) revealed a partial cleavage profile and reduced enzymatic stability in certain HX-MS applications. We produced and characterized recombinant nepenthesin II to determine if it complemented nepenthesin I in HX-MS applications. Nepenthesin II shares many properties with nepenthesin I, such as fast digestion at reduced temperature and pH, and broad cleavage specificity, but in addition, it cleaves C-terminal to tryptophan. Neither enzyme reproduces the C-terminal proline cleavage we observed in the natural extract. Nepenthesin II is considerably more resistant to chemical denaturants and reducing agents than nepenthesin I, and it possesses a stability profile that is similar to that of pepsin. Higher stability combined with the slightly broader cleavage specificity makes nepenthesin II a useful alternative to pepsin and a more complete replacement for pitcher fluid in HX-MS applications. PMID:25993527

  10. Automatic analysis of hydrogen\\/deuterium exchange mass spectra of peptides and proteins using calculations of isotopic distributions

    Microsoft Academic Search

    Magnus Palmblad; Jos Buijs; Per Håkansson

    2001-01-01

    High mass-resolving power has been shown to be useful for studying the conformational dynamics of proteins by hydrogen\\/deuterium\\u000a (H\\/D) exchange. A computer algorithm was developed that automatically identifies peptides and their extent of deuterium incorporation\\u000a from H\\/D exchange mass spectra of enzymatic digests or fragment ions produced by collisionally induced dissociation (CID)\\u000a or electron capture dissociation (ECD). The computer algorithm

  11. Nonuniform isotope patterns produced by collision-induced dissociation of homogeneously labeled ubiquitin: implications for spatially resolved hydrogen/deuterium exchange ESI-MS studies.

    PubMed

    Ferguson, Peter L; Konermann, Lars

    2008-06-01

    There is an ongoing debate whether collision-induced dissociation (CID) of electrosprayed proteins after solution-phase hydrogen/deuterium exchange (HDX) is a viable approach for determining spatially resolved deuteration patterns. This work explores the use of two methods, source-CID and hexapole tandem mass spectrometry (MS/MS) on a quadrupole time-of-flight (Q-TOF) mass spectrometer, for measuring the fragment deuteration levels of regioselectively labeled ubiquitin. Both methods reveal that b-ions exhibit HDX levels significantly below that of the intact protein, whereas several y'' fragments are labeled to a much greater extent. These results are consistent with earlier source-CID data (Akashi, S.; Naito, Y.; Takio, K. Anal. Chem. 1999, 71, 4974-4980). However, the measured b-ion deuteration levels are in disagreement with the known solution-phase behavior of ubiquitin. Partial agreement is observed for y''-ions. Control experiments on homogeneously labeled ubiquitin (having the same average deuteration level at every exchangeable site) result in highly nonuniform fragment HDX levels. In particular, b-ions exhibit deuteration levels significantly below that of intact ubiquitin, thereby mimicking the behavior seen for the regioselectively labeled protein. This effect is likely caused by isotope fractionation during collisional activation, facilitated by the high mobility of charge carriers (scrambling) in the gas phase. The observation that the b-ion labeling behavior is largely independent of the spatial isotope distribution within solution-phase ubiquitin invalidates these ions as reporters of the protein deuteration pattern. This work questions the common practice of interpreting any nonuniformities in fragment deuteration as being indicative of regioselective solution-phase labeling. Artifactual deuterium enrichment or depletion during collisional activation may have contributed to the current lack of consensus as to whether HDX/CID represents a potentially viable tool for measuring solution-phase deuteration patterns. PMID:18459737

  12. Oligomerization Interface of RAGE Receptor Revealed by MS-Monitored Hydrogen Deuterium Exchange

    PubMed Central

    Pozna?ski, Jaros?aw; Kulma, Magdalena; Dadlez, Michal

    2013-01-01

    Activation of the receptor for advanced glycation end products (RAGE) leads to a chronic proinflammatory signal, affecting patients with a variety of diseases. Potentially beneficial modification of RAGE activity requires understanding the signal transduction mechanism at the molecular level. The ligand binding domain is structurally uncoupled from the cytoplasmic domain, suggesting receptor oligomerization is a requirement for receptor activation. In this study, we used hydrogen-deuterium exchange and mass spectrometry to map structural differences between the monomeric and oligomeric forms of RAGE. Our results indicated the presence of a region shielded from exchange in the oligomeric form of RAGE and led to the identification of a new oligomerization interface localized at the linker region between domains C1 and C2. Based on this finding, a model of a RAGE dimer and higher oligomeric state was constructed. PMID:24098480

  13. Localized Hydration in Lyophilized Myoglobin by Hydrogen-Deuterium Exchange Mass Spectrometry. 2. Exchange Kinetics

    PubMed Central

    Sophocleous, Andreas M.; Topp, Elizabeth M.

    2012-01-01

    Solid-state hydrogen deuterium exchange with mass spectrometric analysis (ssHDX) is a promising method for characterizing proteins in amorphous solids. Though analysis of HDX kinetics is informative and well-established in solution, application of these methods to solid samples is complicated by possible heterogeneities in the solid. The studies reported here provide a detailed analysis of the kinetics of hydration and ssHDX for equine myoglobin (Mb) in solid matrices containing sucrose or mannitol. Water sorption was rapid relative to ssHDX, indicating that ssHDX kinetics was not limited by bulk water transport. Deuterium uptake in solids was well-characterized by a bi-exponential model; values for regression parameters provided insight into differences between the two solid matrices. Analysis of the widths of peptide mass envelopes revealed that in solution, an apparent EX2 mechanism prevails, consistent with native conformation of the protein. In contrast, in mannitol-containing samples, a smaller non-native subpopulation exchanges by an EX1-like mechanism. Together, the results indicate that the analysis of ssHDX kinetic data and the widths of peptide mass envelopes are useful in screening solid formulations of protein drugs for the presence of non-native species that cannot be detected by amide I FTIR. PMID:22352990

  14. Isomeric Differentiation of Green Tea Catechins using Gas-Phase Hydrogen/Deuterium Exchange Reactions

    PubMed Central

    Niemeyer, Emily D.; Brodbelt, Jennifer S.

    2007-01-01

    Hydrogen/deuterium exchange reactions in a quadrupole ion trap mass spectrometer are used to differentiate galloylated catechin stereoisomers (catechin gallate and epicatechin gallate; gallocatechin gallate and epigallocatechin gallate) and the non-galloylated analogs (catechin and epicatechin, gallocatechin and epigallocatechin). Significant differences in the hydrogen/deuterium exchange behavior of the four pairs of deprotonated catechin stereoisomers are observed upon reaction with D2O. Interestingly, the non-galloylated catechins undergo H/D exchange to a much greater extent than the galloylated species, incorporating deuterium at both aromatic/allylic and active phenolic sites. Non-galloylated catechin isomers are virtually indistinguishable by their H/D exchange kinetics over a wide range of reaction times (0.05 to 10 s). Our experimental results are explained using high-level ab initio calculations to elucidate the subtle structural variations in the catechin stereoisomers that lead to their differing H/D exchange kinetics. PMID:17702600

  15. Localized Hydration in Lyophilized Myoglobin by Hydrogen-Deuterium Exchange Mass Spectrometry. 1. Exchange Mapping

    PubMed Central

    Sophocleous, Andreas M.; Zhang, Jun; Topp, Elizabeth M.

    2012-01-01

    The local effects of hydration on myoglobin (Mb) in solid matrices containing mannitol or sucrose (1:1 w/w, protein:additive) were mapped using hydrogen-deuterium exchange with mass spectrometric analysis (HDX-MS) at 5°C and compared to solution controls. Solid powders were exposed to D2O(g) at controlled activity (aw) followed by reconstitution and analysis of the intact protein and peptides produced by pepsin digestion. HDX varied with matrix type, aw, and position along the protein backbone. HDX was less in sucrose matrices than in mannitol matrices at all aw while the difference in solution was negligible. Differences in HDX in the two matrices were detectable despite similarities in their bulk water content. The extent of exchange in solids is proposed as a measure of the hydration of exchangeable amide groups, as well as protein conformation and dynamics; pepsin digestion allows these effects to be mapped with peptide-level resolution. PMID:22352965

  16. Development and implementation of a FT-ICR mass spectrometer for the investigation of ion conformations of peptide sequence isomers containing basic amino acid residues by gas-phase hydrogen/deuterium exchange

    E-print Network

    Marini, Joseph Thomas

    2004-09-30

    The gas-phase hydrogen/deuterium (H/D) exchange of protonated di- and tripeptides containing a basic amino acid residue has been studied with a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Bimolecular reactions...

  17. Development and implementation of a FT-ICR mass spectrometer for the investigation of ion conformations of peptide sequence isomers containing basic amino acid residues by gas-phase hydrogen/deuterium exchange 

    E-print Network

    Marini, Joseph Thomas

    2004-09-30

    The gas-phase hydrogen/deuterium (H/D) exchange of protonated di- and tripeptides containing a basic amino acid residue has been studied with a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Bimolecular ...

  18. Advantages of isotopic depletion of proteins for hydrogen/deuterium exchange experiments monitored by mass spectrometry.

    PubMed

    Bou-Assaf, George M; Chamoun, Jean E; Emmett, Mark R; Fajer, Piotr G; Marshall, Alan G

    2010-04-15

    Solution-phase hydrogen/deuterium exchange (HDX) monitored by mass spectrometry is an excellent tool to study protein-protein interactions and conformational changes in biological systems, especially when traditional methods such as X-ray crystallography or nuclear magnetic resonance are not feasible. Peak overlap among the dozens of proteolytic fragments (including those from autolysis of the protease) can be severe, due to high protein molecular weight(s) and the broad isotopic distributions due to multiple deuterations of many peptides. In addition, different subunits of a protein complex can yield isomeric proteolytic fragments. Here, we show that depletion of (13)C and/or (15)N for one or more protein subunits of a complex can greatly simplify the mass spectra, increase the signal-to-noise ratio of the depleted fragment ions, and remove ambiguity in assignment of the m/z values to the correct isomeric peptides. Specifically, it becomes possible to monitor the exchange progress for two isobaric fragments originating from two or more different subunits within the complex, without having to resort to tandem mass spectrometry techniques that can lead to deuterium scrambling in the gas phase. Finally, because the isotopic distribution for a small to medium-size peptide is essentially just the monoisotopic species ((12)C(c)(1)H(h)(14)N(n)(16)O(o)(32)S(s)), it is not necessary to deconvolve the natural abundance distribution for each partially deuterated peptide during HDX data reduction. PMID:20337424

  19. Electrochemical reduction of disulfide-containing proteins for hydrogen/deuterium exchange monitored by mass spectrometry.

    PubMed

    Mysling, Simon; Salbo, Rune; Ploug, Michael; Jørgensen, Thomas J D

    2014-01-01

    Characterization of disulfide bond-containing proteins by hydrogen/deuterium exchange monitored by mass spectrometry (HDX-MS) requires reduction of the disulfide bonds under acidic and cold conditions, where the amide hydrogen exchange reaction is quenched (pH 2.5, 0 °C). The reduction typically requires a high concentration (>200 mM) of the chemical reducing agent Tris(2-carboxyethyl)phosphine (TCEP) as its reduction rate constant is decreased at low pH and temperature. Serious adverse effects on chromatographic and mass spectrometric performances have been reported when using high concentrations of TCEP. In the present study, we explore the feasibility of using electrochemical reduction as a substitute for TCEP in HDX-MS analyses. Our results demonstrate that efficient disulfide bond reduction is readily achieved by implementing an electrochemical cell into the HDX-MS workflow. We also identify some challenges in using electrochemical reduction in HDX-MS analyses and provide possible conditions to attenuate these limitations. For example, high salt concentrations hamper disulfide bond reduction, necessitating additional dilution of the sample with aqueous acidic solution at quench conditions. PMID:24251601

  20. Substrate binding and conformational changes of Clostridium glutamicum diaminopimelate dehydrogenase revealed by hydrogen/deuterium exchange and electrospray mass spectrometry.

    PubMed Central

    Wang, F.; Scapin, G.; Blanchard, J. S.; Angeletti, R. H.

    1998-01-01

    C. glutamicum meso-diaminopimelate dehydrogenase is an enzyme of the L-lysine biosynthetic pathway in bacteria. The binding of NADPH and diaminopimelate to the recombinant, overexpressed enzyme has been analyzed using hydrogen/deuterium exchange and electrospray ionization/mass spectrometry. NADPH binding reduces the extent of deuterium exchange, as does the binding of diaminopimelate. Pepsin digestion of the deuterated enzyme and enzyme-substrate complexes coupled with liquid chromatography/mass spectrometry have allowed the identification of eight peptides whose deuterium exchange slows considerably upon the binding of the substrates. These peptides represent regions known or thought to bind NADPH and diaminopimelate. One of these peptides is located at the interdomain hinge region and is proposed to be exchangeable in the "open," catalytically inactive, conformation but nonexchangeable in the "closed," catalytically active conformation formed after NADPH and diaminopimelate binding and domain closure. Furthermore, the dimerization region has been localized by this method, and this study provides an example of detecting protein-protein interface regions using hydrogen/deuterium exchange and electrospray ionization. PMID:9521104

  1. Differential hydrogen/deuterium exchange mass spectrometry analysis of protein-ligand interactions.

    PubMed

    Chalmers, Michael J; Busby, Scott A; Pascal, Bruce D; West, Graham M; Griffin, Patrick R

    2011-02-01

    Functional regulation of ligand-activated receptors is driven by alterations in the conformational dynamics of the protein upon ligand binding. Differential hydrogen/deuterium exchange (HDX) coupled with mass spectrometry has emerged as a rapid and sensitive approach for characterization of perturbations in conformational dynamics of proteins following ligand binding. While this technique is sensitive to detecting ligand interactions and alterations in receptor dynamics, it also can provide important mechanistic insights into ligand regulation. For example, HDX has been used to determine a novel mechanism of ligand activation of the nuclear receptor peroxisome proliferator activated receptor-?, perform detailed analyses of binding modes of ligands within the ligand-binding pocket of two estrogen receptor isoforms, providing insight into selectivity, and helped classify different types of estrogen receptor-? ligands by correlating their pharmacology with the way they interact with the receptor based solely on hierarchical clustering of receptor HDX signatures. Beyond small-molecule-receptor interactions, this technique has also been applied to study protein-protein complexes, such as mapping antibody-antigen interactions. In this article, we summarize the current state of the differential HDX approaches and the future outlook. We summarize how HDX analysis of protein-ligand interactions has had an impact on biology and drug discovery. PMID:21329427

  2. Differential hydrogen/deuterium exchange mass spectrometry analysis of protein–ligand interactions

    PubMed Central

    Chalmers, Michael J; Busby, Scott A; Pascal, Bruce D; West, Graham M; Griffin, Patrick R

    2011-01-01

    Functional regulation of ligand-activated receptors is driven by alterations in the conformational dynamics of the protein upon ligand binding. Differential hydrogen/deuterium exchange (HDX) coupled with mass spectrometry has emerged as a rapid and sensitive approach for characterization of perturbations in conformational dynamics of proteins following ligand binding. While this technique is sensitive to detecting ligand interactions and alterations in receptor dynamics, it also can provide important mechanistic insights into ligand regulation. For example, HDX has been used to determine a novel mechanism of ligand activation of the nuclear receptor peroxisome proliferator activated receptor-?, perform detailed analyses of binding modes of ligands within the ligand-binding pocket of two estrogen receptor isoforms, providing insight into selectivity, and helped classify different types of estrogen receptor-? ligands by correlating their pharmacology with the way they interact with the receptor based solely on hierarchical clustering of receptor HDX signatures. Beyond small-molecule–receptor interactions, this technique has also been applied to study protein–protein complexes, such as mapping antibody–antigen interactions. In this article, we summarize the current state of the differential HDX approaches and the future outlook. We summarize how HDX analysis of protein–ligand interactions has had an impact on biology and drug discovery. PMID:21329427

  3. Localized hydration in lyophilized myoglobin by hydrogen-deuterium exchange mass spectrometry. 1. Exchange mapping.

    PubMed

    Sophocleous, Andreas M; Zhang, Jun; Topp, Elizabeth M

    2012-04-01

    The local effects of hydration on myoglobin (Mb) in solid matrices containing mannitol or sucrose (1:1 w/w, protein:additive) were mapped using hydrogen-deuterium exchange with mass spectrometric analysis (HDX-MS) at 5 °C and compared to solution controls. Solid powders were exposed to D?O(g) at controlled activity (a(w)) followed by reconstitution and analysis of the intact protein and peptides produced by pepsin digestion. HDX varied with matrix type, a(w), and position along the protein backbone. HDX was less in sucrose matrices than in mannitol matrices at all a(w) while the difference in solution was negligible. Differences in HDX in the two matrices were detectable despite similarities in their bulk water content. The extent of exchange in solids is proposed as a measure of the hydration of exchangeable amide groups, as well as protein conformation and dynamics; pepsin digestion allows these effects to be mapped with peptide-level resolution. PMID:22352965

  4. Pulsed hydrogen–deuterium exchange mass spectrometry probes conformational changes in amyloid beta (A?) peptide aggregation

    PubMed Central

    Zhang, Ying; Rempel, Don L.; Zhang, Jun; Sharma, Anuj K.; Mirica, Liviu M.; Gross, Michael L.

    2013-01-01

    Probing the conformational changes of amyloid beta (A?) peptide aggregation is challenging owing to the vast heterogeneity of the resulting soluble aggregates. To investigate the formation of these aggregates in solution, we designed an MS-based biophysical approach and applied it to the formation of soluble aggregates of the A?42 peptide, the proposed causative agent in Alzheimer’s disease. The approach incorporates pulsed hydrogen–deuterium exchange coupled with MS analysis. The combined approach provides evidence for a self-catalyzed aggregation with a lag phase, as observed previously by fluorescence methods. Unlike those approaches, pulsed hydrogen–deuterium exchange does not require modified A?42 (e.g., labeling with a fluorophore). Furthermore, the approach reveals that the center region of A?42 is first to aggregate, followed by the C and N termini. We also found that the lag phase in the aggregation of soluble species is affected by temperature and Cu2+ ions. This MS approach has sufficient structural resolution to allow interrogation of A? aggregation in physiologically relevant environments. This platform should be generally useful for investigating the aggregation of other amyloid-forming proteins and neurotoxic soluble peptide aggregates. PMID:23959898

  5. Time-Resolved Pulsed Hydrogen/Deuterium Exchange Mass Spectrometry Probes Gaseous Proteins Structural Kinetics

    NASA Astrophysics Data System (ADS)

    Rajabi, Khadijeh

    2015-01-01

    A pulsed hydrogen/deuterium exchange (HDX) method has been developed for rapid monitoring of the exchange kinetics of protein ions with D2O a few milliseconds after electrospray ionization (ESI). The stepwise gradual evolution of HDX of multiply charged protein ions was monitored using the pulsed HDX mass spectrometry technique. Upon introducing a very short pulse of D2O (in the ?s to ms time scale) into the linear ion trap (LIT) of a time-of-flight (TOF) mass spectrometer, bimodal distributions were detected for the ions of cytochrome c and ubiquitin. Mechanistic details of HDX reactions for ubiquitin and cytochrome c in the gas phase were uncovered and the structural transitions were followed by analyzing the kinetics of HDX.

  6. Activation of AMP-activated protein kinase revealed by hydrogen/deuterium exchange mass spectrometry.

    PubMed

    Landgraf, Rachelle R; Goswami, Devrishi; Rajamohan, Francis; Harris, Melissa S; Calabrese, Matthew F; Hoth, Lise R; Magyar, Rachelle; Pascal, Bruce D; Chalmers, Michael J; Busby, Scott A; Kurumbail, Ravi G; Griffin, Patrick R

    2013-11-01

    AMP-activated protein kinase (AMPK) monitors cellular energy, regulates genes involved in ATP synthesis and consumption, and is allosterically activated by nucleotides and synthetic ligands. Analysis of the intact enzyme with hydrogen/deuterium exchange mass spectrometry reveals conformational perturbations of AMPK in response to binding of nucleotides, cyclodextrin, and a synthetic small molecule activator, A769662. Results from this analysis clearly show that binding of AMP leads to conformational changes primarily in the ? subunit of AMPK and subtle changes in the ? and ? subunits. In contrast, A769662 causes profound conformational changes in the glycogen binding module of the ? subunit and in the kinase domain of the ? subunit, suggesting that the molecular binding site of the latter resides between the ? and ? subunits. The distinct short- and long-range perturbations induced upon binding of AMP and A769662 suggest fundamentally different molecular mechanisms for activation of AMPK by these two ligands. PMID:24076403

  7. Computational investigation and hydrogen\\/deuterium exchange of the fixed charge derivative tris(2,4,6-Trimethoxyphenyl) phosphonium: Implications for the aspartic acid cleavage mechanism

    Microsoft Academic Search

    Kristin A. Herrmann; Vicki H. Wysocki; Erich R. Vorpagel

    2005-01-01

    Aspartic acid (Asp)-containing peptides with the fixed charge derivative tris(2,4,6trimethoxyphenyl) phosphonium (tTMP-P+) were explored computationally and experimentally by hydrogen\\/deuterium (H\\/D) exchange and by fragmentation studies to probe\\u000a the phenomenon of selective cleavage C-terminal to Asp in the absence of a “mobile” proton. Ab initio modeling of the tTMP-P+ electrostatic potential shows that the positive charge is distributed on the phosphonium

  8. In-ESI source hydrogen/deuterium exchange of carbohydrate ions.

    PubMed

    Kostyukevich, Yury; Kononikhin, Alexey; Popov, Igor; Nikolaev, Eugene

    2014-03-01

    We present the investigation of hydrogen/deuterium (H/D) exchange of carbohydrates ions occurring in the electrospray ion source. The shape of the deuterium distribution was observed to be considerably dependent on the temperature of the ion transfer tube and the solvent used. If deuterated alcohol (EtOD or MeOD) or D2O/deuterated alcohol is used as an electrospray solvent, then for high temperatures (>350 °C), intensive back exchange is observed, resulting in ?30% depth of the deuterium exchange. At low temperatures (<150 °C), the back exchange is weaker and the depth of the deuterium exchange is ?70%. In the intermediate temperature region (?250 °C), the deuterium distribution is unusually wide for methanol and bimodal for ethanol. The addition of 1% formic acid results in low (?30%) depth of the deuterium exchange for any temperature in the operating region. The bimodal distribution for the ethanol can be possibly explained by the presence of differently folded gas-phase ions of carbohydrates. PMID:24499243

  9. Amide hydrogen/deuterium exchange & MALDI-TOF mass spectrometry analysis of Pak2 activation.

    PubMed

    Hsu, Yuan-Hao; Traugh, Jolinda A

    2011-01-01

    Amide hydrogen/deuterium exchange (H/D exchange) coupled with mass spectrometry has been widely used to analyze the interface of protein-protein interactions, protein conformational changes, protein dynamics and protein-ligand interactions. H/D exchange on the backbone amide positions has been utilized to measure the deuteration rates of the micro-regions in a protein by mass spectrometry(1,2,3). The resolution of this method depends on pepsin digestion of the deuterated protein of interest into peptides that normally range from 3-20 residues. Although the resolution of H/D exchange measured by mass spectrometry is lower than the single residue resolution measured by the Heteronuclear Single Quantum Coherence (HSQC) method of NMR, the mass spectrometry measurement in H/D exchange is not restricted by the size of the protein(4). H/D exchange is carried out in an aqueous solution which maintains protein conformation. We provide a method that utilizes the MALDI-TOF for detection(2), instead of a HPLC/ESI (electrospray ionization)-MS system(5,6). The MALDI-TOF provides accurate mass intensity data for the peptides of the digested protein, in this case protein kinase Pak2 (also called ?-Pak). Proteolysis of Pak 2 is carried out in an offline pepsin digestion. This alternative method, when the user does not have access to a HPLC and pepsin column connected to mass spectrometry, or when the pepsin column on HPLC does not result in an optimal digestion map, for example, the heavily disulfide-bonded secreted Phospholipase A(2;) (sPLA(2;)). Utilizing this method, we successfully monitored changes in the deuteration level during activation of Pak2 by caspase 3 cleavage and autophosphorylation(7,8,9). PMID:22143461

  10. Microsecond pulsed hydrogen/deuterium exchange of electrosprayed ubiquitin ions stored in a linear ion trap.

    PubMed

    Rajabi, Khadijeh

    2015-02-01

    A pulse of D2O vapour on the order of microseconds is allowed to react with the +6 to +9 charge states of ubiquitin confined in a linear ion trap (LIT). Two envelopes of peaks are detected for the ions of ubiquitin, corresponding to the ions that exchange more quickly and more slowly. The deuterium uptake of the protonated sites on ubiquitin ions accounts for the ion population with the fast exchange. The hydrogen/deuterium exchange (HDX) kinetics of ubiquitin ions trapped in the LIT for 200 ms showed comparable structural transitions to those trapped for 300 ms. When ions are trapped for longer, i.e. up to 2000 ms, mainly the slow exchanging ion population is detected. In all experiments the +7 ions exchange the most, suggesting a short distance between the surface protonated sites and nearby charged sites, and concomitantly high accessibility of surface protonated sites towards D2O. The +6 ions are more compact than the +7 ions but have one fewer protonated site, therefore fewer surface availabilities for D2O attack. The data suggest that the +6 ions keep most of their solution-phase contacts intact while the hydrophobic core is slightly interrupted in the +7 ions, possibly due to the exposure of charged His68 that is normally buried in the hydrophobic pocket. The +8 and +9 ions have more protonated sites but are less compact than the +7 ions because of Coulombic repulsion, resulting in a larger distance between the protonated sites and the basic sites. The data indicate that the HDX mechanism of ions with the slower exchange corresponding to the second envelope of peaks is primarily governed via a relay mechanism. The results suggest that the pulsed HDX MS method is sampling a population of ubiquitin ions with a similar backbone fold to the solution. PMID:25553956

  11. Resolving Isotopic Fine Structure to Detect and Quantify Natural Abundance- and Hydrogen/Deuterium Exchange-Derived Isotopomers

    PubMed Central

    Liu, Qian; Easterling, Michael L.; Agar, Jeffrey N.

    2014-01-01

    Hydrogen/deuterium exchange (HDX) mass spectrometry (MS) is used for analyzing protein dynamics, protein folding/unfolding, and molecular interactions. Until this study, HDX MS experiments employed mass spectral resolving powers that afforded only one peak per nominal mass in a given peptide’s isotope distribution, and HDX MS data analysis methods were developed accordingly. A level of complexity that is inherent to HDX MS remained unaddressed, namely, various combinations of natural abundance heavy isotopes and exchanged deuterium shared the same nominal mass and overlapped at previous resolving powers. For example, an A + 2 peak is comprised of (among other isotopomers) a two-2H-exchanged/zero-13C isotopomer, a one-2H-exchanged/one-13C isotopomer, and a zero-2H-exchanged/two-13C isotopomer. Notably, such isotopomers differ slightly in mass as a result of the ~3 mDa mass defect between 2H and 13C atoms. Previous HDX MS methods did not resolve these isotopomers, requiring a natural-abundance-only (before HDX or “time zero”) spectrum and data processing to remove its contribution. It is demonstrated here that high-resolution mass spectrometry can be used to detect isotopic fine structure, such as in the A + 2 profile example above, deconvolving the isotopomer species resulting from deuterium incorporation. Resolving isotopic fine structure during HDX MS therefore permits direct monitoring of HDX, which can be calculated as the sum of the fractional peak magnitudes of the deuterium-exchanged isotopomers. This obviates both the need for a time zero spectrum as well as data processing to account for natural abundance heavy isotopes, saving instrument and analysis time. PMID:24328359

  12. Platform dependencies in bottom-up hydrogen/deuterium exchange mass spectrometry.

    PubMed

    Burns, Kyle M; Rey, Martial; Baker, Charles A H; Schriemer, David C

    2013-02-01

    Hydrogen-deuterium exchange mass spectrometry is an important method for protein structure-function analysis. The bottom-up approach uses protein digestion to localize deuteration to higher resolution, and the essential measurement involves centroid mass determinations on a very large set of peptides. In the course of evaluating systems for various projects, we established two (HDX-MS) platforms that consisted of a FT-MS and a high-resolution QTOF mass spectrometer, each with matched front-end fluidic systems. Digests of proteins spanning a 20-110 kDa range were deuterated to equilibrium, and figures-of-merit for a typical bottom-up (HDX-MS) experiment were compared for each platform. The Orbitrap Velos identified 64% more peptides than the 5600 QTOF, with a 42% overlap between the two systems, independent of protein size. Precision in deuterium measurements using the Orbitrap marginally exceeded that of the QTOF, depending on the Orbitrap resolution setting. However, the unique nature of FT-MS data generates situations where deuteration measurements can be inaccurate, because of destructive interference arising from mismatches in elemental mass defects. This is shown through the analysis of the peptides common to both platforms, where deuteration values can be as low as 35% of the expected values, depending on FT-MS resolution, peptide length and charge state. These findings are supported by simulations of Orbitrap transients, and highlight that caution should be exercised in deriving centroid mass values from FT transients that do not support baseline separation of the full isotopic composition. PMID:23197788

  13. Structural Insights of Glucan Phosphatase Dynamics using Amide Hydrogen/Deuterium Exchange Mass Spectrometry

    PubMed Central

    Hsu, Simon; Kim, Youngjun; Li, Sheng; Durrant, Eric S.; Pace, Rachel M.; Woods, Virgil L.; Gentry, Matthew S.

    2009-01-01

    Laforin and Starch Excess 4 (SEX4) are founding members of a class of phosphatases that dephosphorylate phosphoglucans. Each protein contains a carbohydrate binding module (CBM) and a dual specificity phosphatase (DSP) domain. The gene encoding laforin is mutated in a fatal neurodegenerative disease called Lafora disease (LD). In the absence of laforin function, insoluble glucans accumulate that are hyperphosphorylated and exhibit sparse branching. It is hypothesized that these accumulations trigger the neurodegeneration and premature death of LD patients. We recently demonstrated that laforin removes phosphate from phosphoglucans and hypothesized that this function inhibits insoluble glucan accumulation. Loss of SEX4 function in plants yields a similar cellular phenotype; cells accumulate an excess amount of insoluble, hyperphosphorylated glucans. While multiple groups have shown that these phosphatases dephosphorylate phosphoglucans, there is no structure of a glucan phosphatase and little is known about the mechanism whereby they perform this action. We utilized hydrogen-deuterium exchange mass spectrometry (DXMS) and structural modeling to probe the conformational and structural dynamics of the glucan phosphatase SEX4. We found that the enzyme does not undergo a global conformational change upon glucan binding, but instead undergoes minimal rearrangement upon binding. The CBM undergoes increased protection from deuteration when bound to glucans, confirming its role in glucan binding. More interestingly, we identified structural components of the DSP that also undergo increased protection from deuteration upon glucan addition. To determine the position of these regions, we generated a homology model of the SEX4 DSP. The homology model shows that all of these regions are adjacent the DSP active site. Therefore, our results suggest that these regions of the DSP participate in presenting the phosphoglucan to the active site and provide the first structural analysis and mode of action of this unique class of phosphatases. PMID:19754155

  14. Effects of protein-ligand interactions on hydrogen/deuterium exchange kinetics: canonical and noncanonical scenarios.

    PubMed

    Sowole, Modupeola A; Konermann, Lars

    2014-07-01

    Hydrogen/deuterium exchange (HDX) methods are widely used for monitoring protein-ligand interactions. This approach relies on the fact that ligand binding can modulate the extent of protein structural fluctuations that transiently disrupt hydrogen bonds and expose backbone amides to the solvent. It is commonly observed that ligand binding causes a reduction of HDX rates. This reduction can be restricted to elements adjacent to the binding site, but other regions can be affected as well. Qualitatively, ligand-induced HDX protection can be rationalized on the basis of two-state models that equate structural dynamics with global unfolding/refolding. Unfortunately, such models tend to be unrealistic because the dynamics of native proteins are dominated by subglobal transitions and local fluctuations. Ligand binding lowers the ground-state free energy. It is not obvious why this should necessarily be accompanied by a depletion of excited-state occupancies, which would be required for a reduction of HDX rates. Here, we propose a framework that implies that ligand binding can either slow or accelerate amide deuteration throughout the protein. These scenarios are referred to as "type 1" and "type 2", respectively. Evidence for type 1 binding is abundant in the literature, whereas the viability of type 2 interactions is less clear. Using HDX mass spectrometry (MS), we demonstrate that the oxygenation of hemoglobin (Hb) provides a dramatic example of a type 2 scenario. The observed behavior is consistent with cooperative T ? R switching, where part of the intrinsic O2 binding energy is reinvested for destabilization of the ground state. This destabilization increases the Boltzmann occupancy of unfolded conformers, thereby enhancing HDX rates. Surprisingly, O2 binding to myoglobin (Mb) also induces elevated HDX rates. These Mb data reveal that type 2 behavior is not limited to cooperative multisubunit systems. Although enhanced protection from deuteration is widely considered to be a hallmark of protein-ligand interactions, this work establishes that an overall deuteration increase also represents a viable outcome. HDX-based ligand screening assays, therefore, have to allow for canonical as well as noncanonical effects. PMID:24904985

  15. Differential isotopic enrichment to facilitate characterization of asymmetric multimeric proteins using hydrogen/deuterium exchange mass spectrometry.

    PubMed

    Goswami, Devrishi; Tuske, Steve; Pascal, Bruce D; Bauman, Joseph D; Patel, Disha; Arnold, Eddy; Griffin, Patrick R

    2015-04-01

    Hydrogen/deuterium exchange (HDX) coupled to mass spectrometry has emerged as a powerful tool for analyzing the conformational dynamics of protein-ligand and protein-protein interactions. Recent advances in instrumentation and methodology have expanded the utility of HDX for the analysis of large and complex proteins; however, asymmetric dimers with shared amino acid sequence present a unique challenge for HDX because assignment of peptides with identical sequence to their subunit of origin remains ambiguous. Here we report the use of differential isotopic labeling to facilitate HDX analysis of multimers using HIV-1 reverse transcriptase (RT) as a model. RT is an asymmetric heterodimer of 51 kDa (p51) and 66 kDa (p66) subunits. The first 440 residues of p51 and p66 are identical. In this study differentially labeled RT was reconstituted from isotopically enriched ((15)N-labeled) p51 and unlabeled p66. To enable detection of (15)N-deuterated RT peptides, the software HDX Workbench was modified to follow a 100% (15)N model. Our results demonstrated that (15)N enrichment of p51 did not affect its conformational dynamics compared to unlabeled p51, but (15)N-labeled p51 did show different conformational dynamics than p66 in the RT heterodimer. Differential HDX-MS of isotopically labeled RT in the presence of the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz (EFV) showed subunit-specific perturbation in the rate of HDX consistent with previously published results and the RT-EFV cocrystal structure. PMID:25763479

  16. Enhanced gas-phase hydrogen-deuterium exchange of oligonucleotide and protein ions stored in an external multipole ion reservoir.

    PubMed

    Hofstadler, S A; Sannes-Lowery, K A; Griffey, R H

    2000-01-01

    Rapid gas-phase hydrogen-deuterium (H-D) exchange from D(2)O and ND(3) into oligonucleotide and protein ions was achieved during storage in a hexapole ion reservoir. Deuterated gas is introduced through a capillary line that discharges directly into the low-pressure region of the reservoir. Following exchange, the degree of H-D exchange is determined using Fourier transform ion cyclotron resonance mass spectrometry. Gas-phase H-D exchange experiments can be conducted more than 100 times faster than observed using conventional in-cell exchange protocols that require lower gas pressures and additional pump-down periods. The short experimental times facilitate the quantitation of the number of labile hydrogens for less reactive proteins and structured oligonucleotides. For ubiquitin, we observe approximately 65 H-D exchanges after 20 s. Exchange rates of > 250 hydrogens s(-1) are observed for oligonucleotide ions when D(2)O or ND(3) is admitted directly into the external ion reservoir owing to the high local pressure in the hexapole. Partially deuterated oligonucleotide ions have been fragmented in the reservoir using infrared multiphoton dissociation (IRMPD). The resulting fragment ions show that exchange predominates at charged sites on the 5'- and 3'-ends of the oligonucleotide, whereas exchange is slower in the core. This hardware configuration is independent of the mass detector and should be compatible with other mass spectrometric platforms including quadrupole ion trap and time-of-flight mass spectrometers. PMID:10633235

  17. Gaseous anion chemistry. Hydrogen-deuterium exchange in mono- and dialcohol alkoxide ions: ionization reactions in dialcohols

    SciTech Connect

    Lloyd, J.R.; Agosta, W.C.; Field, F.H.

    1980-08-15

    The subject of this work is H-D exchange in certain gaseous anions using D/sub 2/ as the exchanging agent. The anions involved are produced from ethylene glycol, 1,3-propanediol, 1,4-butanediol, ethanol, 1-propanol, and 1-butanol. Spectra and postulated ionization reactions for these mono- and dialcohols are given. Hydrogen-deuterium exchange occurs in the (M - 1)/sup -/ and (2M - 1)/sup -/ ions of ethylene glycol, 1,3-propanediol, and 1,4-butanediol. The amount of exchange occurring is 3-8 times greater in (2M - 1)/sup -/ than in (M - 1)/sup -/. The amount of H-D exchange occurring in ethanol, 1-propanol, and 1-butanol is small or zero in the (2M - 1)/sup -/ ions and in the (M - 1)/sup -/ ion for 1-butanol (the only (M - 1)/sup -/ ion which could be examined experimentally). The amount of exchange occurring in the (2M - 1)/sup -/ and (M - 1)/sup -/ ions from ethylene glycol is not affected by the total pressure or composition of the reaction mixture in the ionization chamber of the mass spectrometer. A novel hydrogen-bridging mechanism is suggested to account for the observed exchange occurring in the dialcohols.

  18. Mass spectral characterization of ergot alkaloids by electrospray ionization, hydrogen/deuterium exchange, and multiple stage mass spectrometry: Usefulness of precursor ion scan experiments.

    PubMed

    Mohamed, Rayane; Gremaud, Eric; Tabet, Jean-Claude; Guy, Philippe A

    2006-01-01

    Six ergot alkaloids belonging to the lysergic acid derivatives (ergonovine (EGN) and methysergide hydrogen maleinate (MHM)) and peptide-type derivatives (ergocristine (EGR), ergotamine (EGT), ergocornine (EGC) and alpha-ergokryptine (EGK)) were studied by positive electrospray tandem mass spectrometry. The fragmentation mechanisms of these compounds were studied by collision-induced dissociation (CID) using triple quadrupole and ion trap mass spectrometers, and the nature of the major product ions further confirmed by hydrogen/deuterium (H/D) exchange experiments. A common abundant product ion at m/z 223 was characteristic of the two classes of ergot alkaloids. Therefore, a precursor ion scan of m/z 223 that triggers information data acquisition (IDA) in combination with CID experiments was used to identify other potential ergot alkaloids. Using this approach, it was possible to confirm the presence of ergosine, another peptide-type ergot alkaloid, in a rye flour extract at trace levels. PMID:16941545

  19. Gas-Phase Hydrogen-Deuterium Exchange Labeling of Select Peptide Ion Conformer Types: a Per-Residue Kinetics Analysis.

    PubMed

    Khakinejad, Mahdiar; Kondalaji, Samaneh Ghassabi; Tafreshian, Amirmahdi; Valentine, Stephen J

    2015-07-01

    The per-residue, gas-phase hydrogen deuterium exchange (HDX) kinetics for individual amino acid residues on selected ion conformer types of the model peptide KKDDDDDIIKIIK have been examined using ion mobility spectrometry (IMS) and HDX-tandem mass spectrometry (MS/MS) techniques. The [M + 4H](4+) ions exhibit two major conformer types with collision cross sections of 418 Å(2) and 446 Å(2); the [M + 3H](3+) ions also yield two different conformer types having collision cross sections of 340 Å(2) and 367 Å(2). Kinetics plots of HDX for individual amino acid residues reveal fast- and slow-exchanging hydrogens. The contributions of each amino acid residue to the overall conformer type rate constant have been estimated. For this peptide, N- and C-terminal K residues exhibit the greatest contributions for all ion conformer types. Interior D and I residues show decreased contributions. Several charge state trends are observed. On average, the D residues of the [M + 3H](3+) ions show faster HDX rate contributions compared with [M + 4H](4+) ions. In contrast the interior I8 and I9 residues show increased accessibility to exchange for the more elongated [M + 4H](4+) ion conformer type. The contribution of each residue to the overall uptake rate showed a good correlation with a residue hydrogen accessibility score model calculated using a distance from charge site and initial incorporation site for nominal structures obtained from molecular dynamic simulations (MDS). Graphical Abstract ?. PMID:25895891

  20. Fast Comparative Structural Characterization of Intact Therapeutic Antibodies Using Hydrogen-Deuterium Exchange and Electron Transfer Dissociation.

    PubMed

    Pan, Jingxi; Zhang, Suping; Chou, Albert; Hardie, Darryl B; Borchers, Christoph H

    2015-06-16

    Higher-order structural characterization plays an important role in many stages of therapeutic antibody production. Herein, we report a new top-down mass spectrometry approach for characterizing the higher-order structure of intact antibodies, by combining hydrogen/deuterium exchange (HDX), subzero temperature chromatography, and electron transfer dissociation on the Orbitrap mass spectrometer. Individual IgG domain-level deuteration information was obtained for 6 IgG domains on Herceptin (HER), which included the antigen binding sites. This is the first time that top-down HDX has been applied to an intact protein as large as 150 kDa, which has never been done before on any instrument. Ligand-binding induced structural differences in HER were determined to be located only on the variable region of the light chain. Global glycosylation profile of antibodies and HDX property of the glycoforms were also determined by accurate intact mass measurements. Although the presence of disulfide bonds prevent the current approach from being able to obtain amino acid level structural information within the disulfide-linked regions, the advantages such as minimal sample manipulation, fast workflow, very low level of back exchange, and simple data analysis, make it well-suited for fast comparative structural evaluation of intact antibodies. PMID:25927482

  1. Investigation of the effect of intra-molecular interactions on the gas-phase conformation of peptides as probed by ion mobility-mass spectrometry, gas-phase hydrogen/deuterium exchange, and molecular mechanics 

    E-print Network

    Sawyer, Holly Ann

    2006-04-12

    Ion mobility-mass spectrometry (IM-MS), gas-phase hydrogen/deuterium (H/D) exchange ion molecule reactions and molecular modeling provide complimentary information and are used here for the characterization of peptide ion structure, including fine...

  2. Applications of hydrogen deuterium exchange (HDX) for the characterization of conformational dynamics in light-activated photoreceptors

    PubMed Central

    Lindner, Robert; Heintz, Udo; Winkler, Andreas

    2015-01-01

    Rational design of optogenetic tools is inherently linked to the understanding of photoreceptor function. Structural analysis of elements involved in signal integration in individual sensor domains provides an initial idea of their mode of operation, but understanding how local structural rearrangements eventually affect signal transmission to output domains requires inclusion of the effector regions in the characterization. However, the dynamic nature of these assemblies renders their structural analysis challenging and therefore a combination of high- and low-resolution techniques is required to appreciate functional aspects of photoreceptors. This review focuses on the potential of hydrogen-deuterium exchange coupled to mass spectrometry (HDX-MS) for complementing the structural characterization of photoreceptors. In this respect, the ability of HDX-MS to provide information on conformational dynamics and the possibility to address multiple functionally relevant states in solution render this methodology ideally suitable. We highlight recent examples demonstrating the potential of HDX-MS and discuss how these results can help to improve existing optogenetic systems or guide the design of novel optogenetic tools. PMID:26157802

  3. Automated Hydrogen/Deuterium Exchange Electron Transfer Dissociation High Resolution Mass Spectrometry Measured at Single-Amide Resolution

    NASA Astrophysics Data System (ADS)

    Landgraf, Rachelle R.; Chalmers, Michael J.; Griffin, Patrick R.

    2012-02-01

    Hydrogen deuterium exchange mass spectrometry (HDX-MS) is a well established method for the measurement of solution-phase deuterium incorporation into proteins, which can provide insight into protein conformational mobility. However, most HDX measurements are constrained to regions of the protein where pepsin proteolysis allows detection at peptide resolution. Recently, single-amide resolution deuterium incorporation has been achieved by limiting gas-phase scrambling in the mass spectrometer. This was accomplished by employing a combination of soft ionization and desolvation conditions coupled with the radical-driven fragmentation technique electron transfer dissociation (ETD). Here, a hybrid LTQ-Orbitrap XL is systematically evaluated for its utility in providing single-amide deuterium incorporation for differential HDX analysis of a nuclear receptor upon binding small molecule ligands. We are able to show that instrumental parameters can be optimized to minimize scrambling and can be incorporated into an established and fully automated HDX platform making differential single-amide HDX possible for bottom-up analysis of complex systems. We have applied this system to determine differential single amide resolution HDX data for the peroxizome proliferator activated receptor bound with two ligands of interest.

  4. Imidazole C-2 Hydrogen/Deuterium Exchange Reaction at Histidine for Probing Protein Structure and Function with MALDI Mass Spectrometry

    PubMed Central

    Hayashi, Naoka; Kuyama, Hiroki; Nakajima, Chihiro; Kawahara, Kazuki; Miyagi, Masaru; Nishimura, Osamu; Matsuo, Hisayuki; Nakazawa, Takashi

    2015-01-01

    We present a mass spectrometric method for analyzing protein structure and function, based on the imidazole C-2 or histidine C?1 hydrogen/deuterium (H/D) exchange reaction, which is intrinsically second order with respect to the concentrations of the imidazolium cation and OD? in D2O. The second-order rate constant (k2) of this reaction was calculated from the pH-dependency of the pseudo-first-order rate constant (k?) obtained from the change of average mass ?Mr (0 ? ?Mr < 1) of a peptide fragment containing a defined histidine residue at incubation time (t) such that k? = ? [ln(1??Mr)]/t. We preferred using k2 rather than k? because k2max (maximal value of k2) was empirically related to pKa as illustrated with a Brønsted plot: logk2max=-0.7pKa+? (? is an arbitrary constant), so that we could analyze the effect of structure on the H/D-exchange rate in terms of log(k2max/k2) representing the deviation of k2 from k2max. In the catalytic site of bovine ribonuclease A, His12 showed much larger change in log(k2max/k2) compared with His119 upon binding with cytidine 3?-monophosphate, as anticipated from the X-ray structures and the possible change in solvent accessibility. However, there is a need of considering the hydrogen bonds of the imidazole group with non-dissociable groups to interpret an extremely slow H/D exchange rate of His48 in partially solvent-exposed situation. PMID:24606199

  5. Hydrogen/Deuterium Exchange and Electron-Transfer Dissociation Mass Spectrometry Determine the Interface and Dynamics of Apolipoprotein E Oligomerization

    PubMed Central

    Huang, Richard Y-C.; Garai, Kanchan; Frieden, Carl; Gross, Michael L.

    2011-01-01

    Apolipoprotein E, a 34 kDa protein, plays a key role in triglyceride and cholesterol metabolism. Of the three common isoforms (ApoE2, 3 and 4), only ApoE4 is a risk factor for Alzheimer’s Disease. All three isoforms of wild-type ApoE self-associate to form oligomers, a process that may have functional consequences. Although the C-terminal domain, residues 216–299, of ApoE is believed to mediate self-association, the specific residues involved in this process are not known. Here we report the use of hydrogen/deuterium exchange (H/DX) coupled with enzymatic digestion to identify those regions in the sequence of full-length apoE involved in oligomerization. For this determination, we compared the results of H/DX of the wild-type proteins and those of monomeric forms obtained by modifying four residues in the C-terminal domain. The three wild type and mutant isoforms show similar structures based on their similar H/DX kinetics and extents of exchange. Regions of the C-terminus (residues 230–270) of the ApoE isoforms show significant differences of deuterium uptake between oligomeric and monomeric forms, confirming that oligomerization occurs at these regions. To achieve single amino acid resolution, we examined the extents of H/DX by using electron transfer dissociation (ETD) fragmentation of peptides representing selected regions of both the monomeric and the oligomeric forms of ApoE4. From these experiments, we could identify the specific residues involved in ApoE oligomerization. In addition, our results verify that ApoE4 is composed of a compact structure at its N-terminal domain. Regions of C-terminal domain, however, appear to lack defined structure. PMID:21899263

  6. Synthesis, Spectroscopy, and Hydrogen/Deuterium Exchange in High-Spin Iron(II) Hydride Complexes

    PubMed Central

    2015-01-01

    Very few hydride complexes are known in which the metals have a high-spin electronic configuration. We describe the characterization of several high-spin iron(II) hydride/deuteride isotopologues and their exchange reactions with one another and with H2/D2. Though the hydride/deuteride signal is not observable in NMR spectra, the choice of isotope has an influence on the chemical shifts of distant protons in the dimers through the paramagnetic isotope effect on chemical shift. This provides the first way to monitor the exchange of H and D in the bridging positions of these hydride complexes. The rate of exchange depends on the size of the supporting ligand, and this is consistent with the idea that H2/D2 exchange into the hydrides occurs through the dimeric complexes rather than through a transient monomer. The understanding of H/D exchange mechanisms in these high-spin iron hydride complexes may be relevant to postulated nitrogenase mechanisms. PMID:24555749

  7. Conformational Dynamics of the Bovine Mitochondrial ADP/ATP Carrier Isoform 1 Revealed by Hydrogen/Deuterium Exchange Coupled to Mass Spectrometry*

    PubMed Central

    Rey, Martial; Man, Petr; Clémençon, Benjamin; Trézéguet, Véronique; Brandolin, Gérard; Forest, Eric; Pelosi, Ludovic

    2010-01-01

    The mitochondrial adenine nucleotide carrier (Ancp) catalyzes the transport of ADP and ATP across the mitochondrial inner membrane, thus playing an essential role in cellular energy metabolism. During the transport mechanism the carrier switches between two different conformations that can be blocked by two toxins: carboxyatractyloside (CATR) and bongkrekic acid. Therefore, our understanding of the nucleotide transport mechanism can be improved by analyzing structural differences of the individual inhibited states. We have solved the three-dimensional structure of bovine carrier isoform 1 (bAnc1p) in a complex with CATR, but the structure of the carrier-bongkrekic acid complex, and thus, the detailed mechanism of transport remains unknown. Improvements in sample processing in the hydrogen/deuterium exchange technique coupled to mass spectrometry (HDX-MS) have allowed us to gain novel insights into the conformational changes undergone by bAnc1p. This paper describes the first study of bAnc1p using HDX-MS. Results obtained with the CATR-bAnc1p complex were fully in agreement with published results, thus, validating our approach. On the other hand, the HDX kinetics of the two complexes displays marked differences. The bongkrekic acid-bAnc1p complex exhibits greater accessibility to the solvent on the matrix side, whereas the CATR-bAnc1p complex is more accessible on the intermembrane side. These results are discussed with respect to the structural and biochemical data available on Ancp. PMID:20805227

  8. Conformational dynamics of the bovine mitochondrial ADP/ATP carrier isoform 1 revealed by hydrogen/deuterium exchange coupled to mass spectrometry.

    PubMed

    Rey, Martial; Man, Petr; Clémençon, Benjamin; Trézéguet, Véronique; Brandolin, Gérard; Forest, Eric; Pelosi, Ludovic

    2010-11-01

    The mitochondrial adenine nucleotide carrier (Ancp) catalyzes the transport of ADP and ATP across the mitochondrial inner membrane, thus playing an essential role in cellular energy metabolism. During the transport mechanism the carrier switches between two different conformations that can be blocked by two toxins: carboxyatractyloside (CATR) and bongkrekic acid. Therefore, our understanding of the nucleotide transport mechanism can be improved by analyzing structural differences of the individual inhibited states. We have solved the three-dimensional structure of bovine carrier isoform 1 (bAnc1p) in a complex with CATR, but the structure of the carrier-bongkrekic acid complex, and thus, the detailed mechanism of transport remains unknown. Improvements in sample processing in the hydrogen/deuterium exchange technique coupled to mass spectrometry (HDX-MS) have allowed us to gain novel insights into the conformational changes undergone by bAnc1p. This paper describes the first study of bAnc1p using HDX-MS. Results obtained with the CATR-bAnc1p complex were fully in agreement with published results, thus, validating our approach. On the other hand, the HDX kinetics of the two complexes displays marked differences. The bongkrekic acid-bAnc1p complex exhibits greater accessibility to the solvent on the matrix side, whereas the CATR-bAnc1p complex is more accessible on the intermembrane side. These results are discussed with respect to the structural and biochemical data available on Ancp. PMID:20805227

  9. Structure-dependent degradation of polar compounds in weathered oils observed by atmospheric pressure photo-ionization hydrogen/deuterium exchange ultrahigh resolution mass spectrometry.

    PubMed

    Islam, Ananna; Kim, Donghwi; Yim, Un Hyuk; Shim, Won Joon; Kim, Sunghwan

    2015-10-15

    The resin fractions of fresh mixtures of three oils spilled during the M/V Hebei Spirit oil spill, as well as weathered oils collected at weathering stages II and IV from the oil spill site were analyzed and compared by atmospheric pressure photo-ionization hydrogen/deuterium exchange mass spectrometry (HDX MS). The significantly decreased abundance of N(+) and [N-H+D](+) ions suggested that secondary and tertiary amine-containing compounds were preferentially degraded during the early stage of weathering. [N+H](+) and [N+D](+) ions previously attributed to pyridine-type compounds degraded more slowly than secondary and tertiary amine-containing compounds. The preferential degradation of nitrogen-containing compounds was confirmed by photo-degradation experiments using 15 standard compounds. In addition, significant increases of [S1O1+H](+) and [S1O1+D](+) ions with higher DBE values were observed from fresh oil mixtures as compared to stages II and IV samples, and that could be linked with the decrease of higher DBE compounds of the S1 class. This study presented convincing arguments and evidence demonstrating that secondary and tertiary amines were more vulnerable to photo-degradation than compounds containing pyridine, and hence, preferential degradation depending on chemical structures must be considered in the production of hazardous or toxic components. PMID:25913675

  10. The combination of hydrogen/deuterium exchange or chemical cross-linking techniques with mass spectrometry: mapping of human 14-3-3? homodimer interface.

    PubMed

    Haladová, Kate?ina; Mrázek, Hynek; Je?men, Tomáš; Halada, Petr; Man, Petr; Novák, Petr; Chmelík, Josef; Obšil, Tomáš; Šulc, Miroslav

    2012-07-01

    Hydrogen/deuterium (H/D) exchange or chemical cross-linking by soluble carbodiimide (EDC) was employed in combination with high-resolution mass spectrometry (MS) to extend our knowledge about contact surface regions involved in the well-characterized model of interaction between two molecules of human 14-3-3? regulatory protein. The H/D exchange experiment provided low resolution mapping of interaction in the homodimeric 14-3-3? complex. A lower level of deuteration, suggesting structural protection, of two sequential segments has been demonstrated for dimeric 14-3-3? wild type relative to the monomeric mutant 14-3-3? S58D. The N-terminal sequence (the first 27 residues) from one subunit interacts with region ?C'and ?D'-helices (residues 45-98) of the other molecule across the dimer interface. To identify interacting amino acid residues within the studied complex, a chemical cross-linking reaction was carried out to produce the covalent homodimer, which was detected by SDS-PAGE. The MS analysis (following tryptic in-gel digestion) employing both high resolution and tandem mass spectrometry revealed cross-linked amino acid residues. Two alternative salt bridges between Glu81 and either Lys9 or the N-terminal amino group have been found to participate in transient interactions of the 14-3-3? isotype homodimerization. The data obtained, which have never previously been reported, were used to modify the published 14-3-3 crystal structure using molecular modeling. Based on our findings, utilization of this combination of experimental approaches, which preserve protein native structures, is suitable for mapping the contact between two proteins and also allows for the description of transient interactions or of regions with flexible structure in the studied protein complexes. PMID:22580067

  11. Structural comparison of recombinant human macrophage colony stimulating factor ? and a partially reduced derivative using hydrogen deuterium exchange and electrospray ionization mass spectrometry

    PubMed Central

    Zhang, Y. Heidi; Yan, Xuguang; Maier, Claudia S.; Schimerlik, Michael I.; Deinzer, Max L.

    2001-01-01

    Hydrogen deuterium exchange, monitored by electrospray ionization mass spectrometry, has been employed to characterize structural features of a derivative of recombinant human macrophage colony stimulating factor beta (rhm-CSF?) in which two of the nine disulfide bridges (Cys157/Cys159–Cys`157/Cys`159) were selectively reduced and alkylated. Removal of these two disulfide bridges did not affect the biological activity of the protein. Similarities between CD and fluorescence spectra for rhm-CSF? and its derivative indicate that removing the disulfide bonds did not strongly alter the overall three-dimensional structure of rhm-CSF?. However, differences between deuterium exchange data of the intact proteins indicate that more NHs underwent fast deuterium exchange in the derivative than in rhm-CSF?. Regions located near the disulfide bond removal site were shown to exhibit faster deuterium exchange behavior in the derivative than in rhm-CSF?. PMID:11604539

  12. Understanding the conformational impact of chemical modifications on monoclonal antibodies with diverse sequence variation using hydrogen/deuterium exchange mass spectrometry and structural modeling.

    PubMed

    Zhang, Aming; Hu, Ping; MacGregor, Paul; Xue, Yu; Fan, Haihong; Suchecki, Peter; Olszewski, Leonard; Liu, Aston

    2014-04-01

    Chemical modifications can potentially induce conformational changes near the modification site and thereby impact the safety and efficacy of protein therapeutics. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) has emerged as a powerful analytical technique with high spatial resolution and sensitivity in detecting such local conformational changes. In this study, we utilized HDX-MS combined with structural modeling to examine the conformational impact on monoclonal antibodies (mAbs) caused by common chemical modifications including methionine (Met) oxidation, aspartic acid (Asp) isomerization, and asparagine (Asn) deamidation. Four mAbs with diverse sequences and glycosylation states were selected. The data suggested that the impact of Met oxidation was highly dependent on its location and glycosylation state. For mAbs with normal glycosylation in the Fc region, oxidation of the two conserved Met252 and Met428 (Kabat numbering) disrupted the interface interactions between the CH2 and CH3 domains, thus leading to a significant decrease in CH2 domain thermal stability as well as a slight increase in aggregation propensity. In contrast, Met oxidation in the variable region and CH3 domain had no detectable impact on mAb conformation. For aglycosylated mAb, Met oxidation could cause a more global conformational change to the whole CH2 domain, coincident with the larger decrease in thermal stability and significant increase in aggregation rate. Unlike Met oxidation, Asn deamidation and Asp isomerization mostly had very limited effects on mAb conformation, with the exception of succiminide intermediate formation which induced a measurable local conformational change to be more solvent protected. Structural modeling suggested that the succinimide intermediate was stabilized by adjacent aromatic amino acids through ring-ring stacking interactions. PMID:24597564

  13. Unfolding and aggregation of a glycosylated monoclonal antibody on a cation exchange column. Part II. Protein structure effects by hydrogen deuterium exchange mass spectrometry.

    PubMed

    Guo, Jing; Carta, Giorgio

    2014-08-22

    Hydrogen-deuterium exchange mass spectrometry (HX-MS) with proteolytic fragmentation is used to determine patterns of unfolding, as measured by increased solvent exposure, with peptide-level resolution for a glycosylated monoclonal antibody both when eluted from a tentacle-type cation exchange column (Fractogel EMD SO3-) and while bound to the resin. Two peaks are obtained when the bound protein is eluted with either a NaCl gradient or with two NaCl steps at increasing concentration. The first, early eluting peak contains only monomeric species whose structure is consistent with the native monomer. The second, late eluting peak contains a mixture of monomeric and aggregated species. The monomeric species in this mixture is also found to have a structure consistent with that of the native mAb, showing no evidence of increased solvent exposure. The aggregated species show instead significant unfolding in areas of the protein structure contained within the Fc region. The same peptides that exhibit the greatest level of solvent exposure in the aggregated species are also found in the fraction of protein that elutes from the resin only at high salt concentration, indicating that the aggregates are formed when the strongly-bound unfolded intermediate is desorbed at high salt. There is no evidence that the unfolded intermediate, formed while the protein is bound on the resin, is present in any of the eluted fractions indicating that, upon desorption from the resin, the intermediate either quickly refolds or forms aggregates which end-up co-eluting with the refolded protein at high salt concentrations. PMID:25011681

  14. Hydrogen-deuterium exchange mass spectrometry reveals the interaction of Fenna-Matthews-Olson protein and chlorosome CsmA protein

    PubMed Central

    Huang, Richard Y-C.; Wen, Jianzhong; Blankenship, Robert E.; Gross, Michael L.

    2011-01-01

    In green-sulfur bacterial photosynthesis, excitation energy absorbed by a peripheral antenna structure known as the chlorosome is sequentially transferred through a baseplate protein to the Fenna-Matthews-Olson (FMO) antenna protein and into the reaction center, which is embedded in the cytoplasmic membrane. The molecular details of the optimized photosystem architecture required for efficient energy transfer are only partially understood. We address here the question of how the baseplate interacts with the FMO protein by applying hydrogen/deuterium exchange coupled with enzymatic digestion and mass spectrometry analysis to reveal the binding interface of the FMO antenna protein and the CsmA baseplate protein. Several regions on the FMO protein, represented by peptides consisting of 123-129, 140-149, 150-162, 191-208 and 224-232, show significant decreases of deuterium uptake after CsmA binding. The results indicate that the CsmA protein interacts with the Bchl a #1 side of the FMO protein. A global picture including peptide-level details for the architecture of the photosystem from green sulfur bacteria can now be drawn. PMID:22142245

  15. Probing the Conformational and Functional Consequences of Disulfide Bond Engineering in Growth Hormone by Hydrogen-Deuterium Exchange Mass Spectrometry Coupled to Electron Transfer Dissociation.

    PubMed

    Seger, Signe T; Breinholt, Jens; Faber, Johan H; Andersen, Mette D; Wiberg, Charlotte; Schjødt, Christine B; Rand, Kasper D

    2015-06-16

    Human growth hormone (hGH), and its receptor interaction, is essential for cell growth. To stabilize a flexible loop between helices 3 and 4, while retaining affinity for the hGH receptor, we have engineered a new hGH variant (Q84C/Y143C). Here, we employ hydrogen-deuterium exchange mass spectrometry (HDX-MS) to map the impact of the new disulfide bond on the conformational dynamics of this new hGH variant. Compared to wild type hGH, the variant exhibits reduced loop dynamics, indicating a stabilizing effect of the introduced disulfide bond. Furthermore, the disulfide bond exhibits longer ranging effects, stabilizing a short ?-helix quite distant from the mutation sites, but also rendering a part of the ?-helical hGH core slightly more dynamic. In the regions where the hGH variant exhibits a different deuterium uptake than the wild type protein, electron transfer dissociation (ETD) fragmentation has been used to pinpoint the residues responsible for the observed differences (HDX-ETD). Finally, by use of surface plasmon resonance (SPR) measurements, we show that the new disulfide bond does not compromise receptor affinity. Our work highlight the analytical potential of HDX-ETD combined with functional assays to guide protein engineering. PMID:25978680

  16. Identification of Pharmacological Chaperones for Gaucher Disease and Characterization of Their Effects on ?-Glucocerebrosidase by Hydrogen/Deuterium Exchange Mass Spectrometry

    PubMed Central

    Tropak, Michael B.; Kornhaber, Gregory J.; Rigat, Brigitte A.; Maegawa, Gustavo H.; Buttner, Justin D.; Blanchard, Jan E.; Murphy, Cecilia; Tuske, Steven J.; Coales, Stephen J.; Hamuro, Yoshitomo; Brown, Eric D.

    2010-01-01

    Point mutations in ?-glucocerebrosidase (GCase) can result in a deficiency of both GCase activity and protein in lysosomes thereby causing Gaucher Disease (GD). Enzyme inhibitors such as isofagomine, acting as pharmacological chaperones (PCs), increase these levels by binding and stabilizing the native form of the enzyme in the endoplasmic reticulum (ER), and allow increased lysosomal transport of the enzyme. A high-throughput screen of the 50 000-compound Maybridge library identified two, non-carbohydrate-based inhibitory molecules, a 2,4-diamino-5-substituted quinazoline (IC50 5 ?M) and a 5-substituted pyridinyl-2-furamide (IC50 8 ?M). They raised the levels of functional GCase 1.5–2.5-fold in N370S or F213I GD fibroblasts. Immunofluorescence confirmed that treated GD fibroblasts had decreased levels of GCase in their ER and increased levels in lysosomes. Changes in protein dynamics, monitored by hydrogen/deuterium-exchange mass spectrometry, identified a domain III active-site loop (residues 243–249) as being significantly stabilized upon binding of isofagomine or either of these two new compounds; this suggests a common mechanism for PC enhancement of intracellular transport. PMID:18972510

  17. Evidence for site-specific intra-ionic hydrogen/deuterium exchange in the low-energy collision-induced dissociation product ion spectra of protonated small molecules generated by electrospray ionisation.

    PubMed

    Holman, Stephen W; Wright, Patricia; Wells, Neil J; Langley, G John

    2010-04-01

    The experimental investigation of site-specific intra-ionic hydrogen/deuterium (H/D) exchange in the low-energy collision-induced dissociation (CID) product ion spectra of protonated small molecules generated by electrospray ionisation (ESI) is presented. The observation of intra-ionic H/D exchange in such ions under low-energy CID conditions has hitherto been rarely reported. The data suggest that the intra-ionic H/D exchange takes place in a site-specific manner between the ionising deuteron, localised at either a tertiary amine or a tertiary amine-N-oxide, and a gamma-hydrogen relative to the nitrogen atom. Nuclear magnetic resonance (NMR) spectroscopy measurements showed that no H/D exchange takes place in solution, indicating that the reaction occurs in the gas phase. The compounds analysed in this study suggested that electron-withdrawing groups bonded to the carbon atom bearing the gamma-hydrogen can preclude exchange. The effect of the electron-withdrawing group appears dependent upon its electronegativity, with lower chi value groups still allowing exchange to take place. However, the limited dataset available in this study prevented robust conclusions being drawn regarding the effect of the electron-withdrawing group. The observation of site-specific intra-ionic H/D exchange has application in the area of structural elucidation, where it could be used to introduce an isotopic label into the carbon skeleton of a molecule containing specific structural features. This could increase the throughput, and minimise the cost, of such studies due to the obviation of the need to produce a deuterium-labelled analogue by synthetic means. PMID:20069530

  18. Predicting Protein Aggregation during Storage in Lyophilized Solids Using Solid State Amide Hydrogen/Deuterium Exchange with Mass Spectrometric Analysis (ssHDX-MS)

    PubMed Central

    2015-01-01

    Solid state amide hydrogen/deuterium exchange with mass spectrometric analysis (ssHDX-MS) was used to assess the conformation of myoglobin (Mb) in lyophilized formulations, and the results correlated with the extent of aggregation during storage. Mb was colyophilized with sucrose (1:1 or 1:8 w/w), mannitol (1:1 w/w), or NaCl (1:1 w/w) or in the absence of excipients. Immediately after lyophilization, samples of each formulation were analyzed by ssHDX-MS and Fourier transform infrared spectroscopy (FTIR) to assess Mb conformation, and by dynamic light scattering (DLS) and size exclusion chromatography (SEC) to determine the extent of aggregation. The remaining samples were then placed on stability at 25 °C and 60% RH or 40 °C and 75% RH for up to 1 year, withdrawn at intervals, and analyzed for aggregate content by SEC and DLS. In ssHDX-MS of samples immediately after lyophilization (t = 0), Mb was less deuterated in solids containing sucrose (1:1 and 1:8 w/w) than in those containing mannitol (1:1 w/w), NaCl (1:1 w/w), or Mb alone. Deuterium uptake kinetics and peptide mass envelopes also indicated greater Mb structural perturbation in mannitol, NaCl, or Mb-alone samples at t = 0. The extent of deuterium incorporation and kinetic parameters related to rapidly and slowly exchanging amide pools (Nfast, Nslow), measured at t = 0, were highly correlated with the extent of aggregation on storage as measured by SEC. In contrast, the extent of aggregation was weakly correlated with FTIR band intensity and peak position measured at t = 0. The results support the use of ssHDX-MS as a formulation screening tool in developing lyophilized protein drug products. PMID:24816133

  19. Epitope mapping of inhibitory antibodies targeting the C2 domain of coagulation factor VIII by hydrogen-deuterium exchange mass spectrometry

    PubMed Central

    Sevy, Alexander M.; Healey, John F.; Deng, Wei; Spiegel, P. Clint; Meeks, Shannon L.; Li, Renhao

    2014-01-01

    Summary Background The development of anti-factor VIII (fVIII) antibodies (inhibitors) is a significant complication in the management of patients with hemophilia A, leading to significant increases in morbidity and treatment cost. Using a panel of anti-fVIII monoclonal antibodies (MAbs) to different epitopes on fVIII, we recently have shown that epitope specificity, inhibitor kinetics, and time to maximum inhibition are more important than inhibitor titer in predicting response to fVIII and the combination of fVIII and recombinant factor VIIa. In particular, a subset of high-titer inhibitors responded to high dose fVIII, which would not be predicted based on their inhibitor titer alone. Thus the ability to quickly map the epitope spectrum of patient plasma using a clinically feasible assay may fundamentally change how clinicians approach the treatment of high-titer inhibitor patients. Objectives To map the epitopes of anti-fVIII MAbs, of which 3 are classical inhibitors and one non-classical, using hydrogen-deuterium exchange coupled with liquid chromatography-mass spectrometry (HDX-MS). Methods Binding epitopes of 4 MAbs targeting fVIII C2 domain were mapped using HDX-MS. Results The epitopes determined by HDX-MS are consistent with those obtained earlier through structural characterization and antibody competition assays. In addition classical and non-classical inhibitor epitopes could be distinguished using a limited subset of C2-derived peptic fragments. Conclusion Our results demonstrate the effectiveness and robustness of the HDX-MS method for epitope mapping and suggest a potential role of rapid mapping of fVIII inhibitor epitopes in facilitating individualized treatment of inhibitor patients. PMID:24152306

  20. Structure and Dynamics of NBD1 from CFTR Characterized Using Crystallography and Hydrogen/Deuterium Exchange Mass Spectrometry

    SciTech Connect

    Lewis, H.A.; Wang, C.; Zhao, X.; Hamuro, Y.; Conners, K.; Kearins, M.C.; Lu, F.; Sauder, J.M.; Molnar, K.S.; Coales, S.J.; Maloney, P.C.; Guggino, W.B.; Wetmore, D.R.; Weber, P.C.; Hunt, J.F. (SGX); (ExSAR); (Cystic); (JHU-MED); (Columbia)

    2012-04-30

    The {Delta}F508 mutation in nucleotide-binding domain 1 (NBD1) of the cystic fibrosis transmembrane conductance regulator (CFTR) is the predominant cause of cystic fibrosis. Previous biophysical studies on human F508 and {Delta}F508 domains showed only local structural changes restricted to residues 509-511 and only minor differences in folding rate and stability. These results were remarkable because {Delta}F508 was widely assumed to perturb domain folding based on the fact that it prevents trafficking of CFTR out of the endoplasmic reticulum. However, the previously reported crystal structures did not come from matched F508 and {Delta}F508 constructs, and the {Delta}F508 structure contained additional mutations that were required to obtain sufficient protein solubility. In this article, we present additional biophysical studies of NBD1 designed to address these ambiguities. Mass spectral measurements of backbone amide {sup 1}H/{sup 2}H exchange rates in matched F508 and {Delta}F508 constructs reveal that {Delta}F508 increases backbone dynamics at residues 509-511 and the adjacent protein segments but not elsewhere in NBD1. These measurements also confirm a high level of flexibility in the protein segments exhibiting variable conformations in the crystal structures. We additionally present crystal structures of a broader set of human NBD1 constructs, including one harboring the native F508 residue and others harboring the {Delta}F508 mutation in the presence of fewer and different solubilizing mutations. The only consistent conformational difference is observed at residues 509-511. The side chain of residue V510 in this loop is mostly buried in all non-{Delta}F508 structures but completely solvent exposed in all {Delta}F508 structures. These results reinforce the importance of the perturbation {Delta}F508 causes in the surface topography of NBD1 in a region likely to mediate contact with the transmembrane domains of CFTR. However, they also suggest that increased exposure of the 509-511 loop and increased dynamics in its vicinity could promote aggregation in vitro and aberrant intermolecular interactions that impede trafficking in vivo.

  1. Proton nuclear magnetic resonance spectroscopy of human transferrin N-terminal half-molecule: titration and hydrogen-deuterium exchange

    Microsoft Academic Search

    A. A. Valcour; R. C. Woodworth

    1987-01-01

    The binding of Ga(III) to the proteolytically derived N-terminal half-molecule of human transferrin (HTF\\/2N) was studied by proton nuclear magnetic resonance spectroscopy. The pH-dependent titration curves of the histidinyl C(2) proton chemical shifts were altered upon formation of the GaIIIHTF\\/2N(CâOâ) ternary complex. Two high-pK'a histidines failed to titrate when the metal and synergistic anion formed a complex with the protein.

  2. Conformational changes of the glucocorticoid receptor ligand binding domain induced by ligand and cofactor binding, and the location of cofactor binding sites determined by hydrogen/deuterium exchange mass spectrometry

    PubMed Central

    Frego, Lee; Davidson, Walter

    2006-01-01

    HXMS (hydrogen/deuterium exchange mass spectrometry) of the glucocorticoid receptor ligand-binding domain (GR LBD) complexed with the agonist dexamethasone and the antagonist RU-486 is described. Variations in the rates of exchange were observed in regions consistent with the published crystal structures of GR LBD complexed with RU-486 when compared with the GR dexamethasone complex. We also report the HXMS results for agonist-bound GR LBD with the coactivator transcriptional intermediary factor 2 (TIF2) and anatagonist-bound GR LBD with nuclear receptor corepressor (NCoR). Alterations in exchange rates observed for agonist-bound GR LBD with TIF2 present were consistent with the published crystal structural contacts for the complex. Alterations in exchange rates observed for antagonist-bound GR LBD with NCoR were a subset of those observed with TIF2 binding, suggesting a common or overlapping binding site for coactivator and corepressor. PMID:16600964

  3. ETD in a Traveling Wave Ion Guide at Tuned Z-Spray Ion Source Conditions Allows for Site-Specific Hydrogen/Deuterium Exchange Measurements

    NASA Astrophysics Data System (ADS)

    Rand, Kasper D.; Pringle, Steven D.; Morris, Michael; Engen, John R.; Brown, Jeffery M.

    2011-10-01

    The recent application of electron transfer dissociation (ETD) to measure the hydrogen exchange of proteins in solution at single-residue resolution (HX-ETD) paves the way for mass spectrometry-based analyses of biomolecular structure at an unprecedented level of detail. The approach requires that activation of polypeptide ions prior to ETD is minimal so as to prevent undesirable gas-phase randomization of the deuterium label from solution (i.e., hydrogen scrambling). Here we explore the use of ETD in a traveling wave ion guide of a quadrupole-time-of-flight (Q-TOF) mass spectrometer with a "Z-spray" type ion source, to measure the deuterium content of individual residues in peptides. We systematically identify key parameters of the Z-spray ion source that contribute to collisional activation and define conditions that allow ETD experiments to be performed in the traveling wave ion guide without gas-phase hydrogen scrambling. We show that ETD and supplemental collisional activation in a subsequent traveling wave ion guide allows for improved extraction of residue-specific deuterium contents in peptides with low charge. Our results demonstrate the feasibility, and illustrate the advantages of performing HX-ETD experiments on a high-resolution Q-TOF instrument equipped with traveling wave ion guides. Determination of parameters of the Z-spray ion source that contribute to ion heating are similarly pertinent to a growing number of MS applications that also rely on an energetically gentle transfer of ions into the gas-phase, such as the analysis of biomolecular structure by native mass spectrometry in combination with gas-phase ion-ion/ion-neutral reactions or ion mobility spectrometry.

  4. "TOF2H": A precision toolbox for rapid, high density/high coverage hydrogen-deuterium exchange mass spectrometry via an LC-MALDI approach, covering the data pipeline from spectral acquisition to HDX rate analysis

    PubMed Central

    Nikamanon, Pornpat; Pun, Elroy; Chou, Wayne; Koter, Marek D; Gershon, Paul D

    2008-01-01

    Background Protein-amide proton hydrogen-deuterium exchange (HDX) is used to investigate protein conformation, conformational changes and surface binding sites for other molecules. To our knowledge, software tools to automate data processing and analysis from sample fractionating (LC-MALDI) mass-spectrometry-based HDX workflows are not publicly available. Results An integrated data pipeline (Solvent Explorer/TOF2H) has been developed for the processing of LC-MALDI-derived HDX data. Based on an experiment-wide template, and taking an ab initio approach to chromatographic and spectral peak finding, initial data processing is based on accurate mass-matching to fully deisotoped peaklists accommodating, in MS/MS-confirmed peptide library searches, ambiguous mass-hits to non-target proteins. Isotope-shift re-interrogation of library search results allows quick assessment of the extent of deuteration from peaklist data alone. During raw spectrum editing, each spectral segment is validated in real time, consistent with the manageable spectral numbers resulting from LC-MALDI experiments. A semi-automated spectral-segment editor includes a semi-automated or automated assessment of the quality of all spectral segments as they are pooled across an XIC peak for summing, centroid mass determination, building of rates plots on-the-fly, and automated back exchange correction. The resulting deuterium uptake rates plots from various experiments can be averaged, subtracted, re-scaled, error-barred, and/or scatter-plotted from individual spectral segment centroids, compared to solvent exposure and hydrogen bonding predictions and receive a color suggestion for 3D visualization. This software lends itself to a "divorced" HDX approach in which MS/MS-confirmed peptide libraries are built via nano or standard ESI without source modification, and HDX is performed via LC-MALDI using a standard MALDI-TOF. The complete TOF2H package includes additional (eg LC analysis) modules. Conclusion "TOF2H" provides a comprehensive HDX data analysis package that has accelerated the processing of LC-MALDI-based HDX data in the authors' lab from weeks to hours. It runs in a standard MS Windows (XP or Vista) environment, and can be downloaded or obtained from the authors at no cost. PMID:18803853

  5. Hydrogen/deuterium isotope effects in water and aqueous solutions of organic molecules and proteins

    NASA Astrophysics Data System (ADS)

    Price, David L.; Fu, Ling; Bermejo, F. Javier; Fernandez-Alonso, Felix; Saboungi, Marie-Louise

    2013-10-01

    It is pointed out that hydrogen/deuterium substitution, frequently used in neutron scattering studies of the structure and dynamics of hydrogenous samples, can have significant effects on structure, phase behavior and protein stability. The effects must be kept in mind in the interpretation of such experiments. In suitable cases, these effects can be mitigated by an appropriate choice of experimental conditions.

  6. Dynamics of glyphosate-induced conformational changes of Mycobacterium tuberculosis 5-enolpyruvylshikimate-3-phosphate synthase (EC 2.5.1.19) determined by hydrogen-deuterium exchange and electrospray mass spectrometry.

    PubMed

    Marques, Maurício R; Vaso, Alessandra; Neto, João Ruggiero; Fossey, Marcelo A; Oliveira, Jaim S; Basso, Luiz A; dos Santos, Diógenes S; de Azevedo Junior, Walter F; Palma, Mario S

    2008-07-15

    The enzyme 5-enolpyruvylshikimate-3-phosphate synthase (EPSPS) catalyzes the reaction between shikimate 3-phosphate and phosphoenolpyruvate to form 5-enolpyruvylshikimate 3-phosphate, an intermediate in the shikimate pathway, which leads to the biosynthesis of aromatic amino acids. EPSPS exists in an open conformation in the absence of substrates and/or inhibitors and in a closed conformation when bound to the substrate and/or inhibitor. In the present report, the H/D exchange properties of EPSPS from Mycobacterium tuberculosis ( Mt) were investigated for both enzyme conformations using ESI mass spectrometry and circular dichroism (CD). When the conformational changes identified by H/D exchanges were mapped on the 3-D structure, it was observed that the apoenzyme underwent extensive conformational changes due to glyphosate complexation, characterized by an increase in the content of alpha-helices from 40% to 57%, while the beta-sheet content decreased from 30% to 23%. These results indicate that the enzyme underwent a series of rearrangements of its secondary structure that were accompanied by a large decrease in solvent access to many different regions of the protein. This was attributed to the compaction of 71% of alpha-helices and 57% of beta-sheets as a consequence of glyphosate binding to the enzyme. Apparently, MtEPSPS undergoes a series of inhibitor-induced conformational changes, which seem to have caused synergistic effects in preventing solvent access to the core of molecule, especially in the cleft region. This may be part of the mechanism of inhibition of the enzyme, which is required to prevent the hydration of the substrate binding site and also to induce the cleft closure to avoid entrance of the substrates. PMID:18558720

  7. Adsorption kinetics and energetics of atomic hydrogen (deuterium) on oxygen and carbon covered V(100)

    NASA Astrophysics Data System (ADS)

    Krenn, G.; Eibl, C.; Mauritsch, W.; Hebenstreit, E. L. D.; Varga, P.; Winkler, A.

    2000-01-01

    The interaction of atomic and to some extent molecular hydrogen (deuterium) with oxygen and carbon covered V(100) surfaces has been studied. The oxygen and carbon coverage has been well characterized with respect to composition and structure by low energy electron diffraction (LEED), Auger electron spectroscopy (AES) and scanning tunneling microscopy (STM). Thermal desorption spectroscopy (TDS) has been used to investigate the kinetics of adsorption, absorption and desorption quantitatively. In addition, the activation barriers for the individual reaction steps during adsorption and desorption have been determined. We have focused on the advantage of using atomic hydrogen to enhance the uptake of hydrogen into the bulk of a contaminated vanadium sample. Surface, subsurface and bulk sites are occupied upon exposure to the atomic H (D) even at a surface temperature of 90 K. These adsorption states exhibit desorption peaks at 150 K (?-state), between 200 and 500 K (?-states), and at 1000 K (?-state). The corresponding desorption energies are 0.36 eV, 0.4-1.1 eV, and 0.9 eV, respectively. The kinetics of adsorption and absorption for molecular hydrogen depend strongly on the chemical composition of the surface, whereas the interaction of atomic hydrogen (deuterium) with V(100) is much less influenced by surface contaminants.

  8. Possible Coexistence of Antihydrogen with Hydrogen, Deuterium and Tritium Atoms

    E-print Network

    Abdel-Raouf, Mohamed Assad

    2007-01-01

    Recent productions of large numbers of cold antiprotons as well as the formation of antihydrogens at CERN and Fermilab have raised basic questions about possible coexistence of matter and antimatter in nature. In the present work, previous mathematical considerations are revisited which support the possible coexistence of Antihydrogen with Hydrogen, Deuterium and Tritium atoms. In particular, the main objective of the present work is to present computational treatments which confirm the possible formation of these quasi molecules in laboratory. These treatments are based on a nonadiabatic picture of the system in which generalized basis functions are adjusted within the framework of Rayleigh-Ritz' variational method. Thus, the Born-Oppenheimer adiabatic picture of the system, which implies the formation of exotic molecules composed explicitly of fixed quasi heavy atoms (containing at least two leptons, e.g. protonium) and quasi light atoms (e.g. positronium), is ruled out in the present work. In other words, ...

  9. Electron scattering experiments with polarized hydrogen/deuterium internal targets

    NASA Astrophysics Data System (ADS)

    van Buuren, L. D.

    2000-06-01

    A high-density polarized hydrogen/deuterium internal gas target is presented. The target is based on a setup previously used in electron scattering experiments with tensor-polarized deuterium [1]. To increase the target thickness, new state-of-the-art permanent sextupole magnets and a more powerful pumping system were installed together with a longer (60 cm) and colder (˜70 K) cylindrical storage cell. Electro-nuclear spin observables were measured by scattering longitudinally polarized electrons stored in the AmPS ring (NIKHEF) from the target gas. The product of electron beam and target polarization was determined from the known e'p (quasi) elastic asymmetries. We achieved a target thickness of 1.1×1014atoms/cm2 which with typical beam currents of 110 mA corresponds to a luminosity of about 7.5×1031cm-2 s-1. Target and beam polarizations up to 0.7 and 0.65 respectively were obtained.

  10. Folding Study of Venus Reveals a Strong Ion Dependence of Its Yellow Fluorescence under Mildly Acidic Conditions*S

    E-print Network

    Jackson, Sophie

    Folding Study of Venus Reveals a Strong Ion Dependence of Its Yellow Fluorescence under Mildly- cencethatisrelativelyinsensitivetochangesinpHandionconcen- trations. Here, we present a detailed study of the stability and fold- ing of Venus. By following hydrogen-deuterium exchange of 15 N-labeled Venus using NMR spectroscopy over 13 months, residue

  11. Longitudinal Lelectroproduction of Charged Pions on Hydrogen, Deuterium, and Helium 3

    SciTech Connect

    David Gaskell

    2001-05-01

    Conventional pictures of nuclear interactions, in which the pion mediates the long/medium range part of the nuclear force, predict an enhancement of the virtual pion cloud in nuclei relative to that in the free nucleon. Jefferson Lab Experiment E91003 measured charged pion electroproduction from Hydrogen, Deuterium, and Helium-3. The longitudinal cross section, which in the limit of pole dominance can be viewed as the quasifree knockout of a virtual pion, was extracted via a Rosenbluth separation. The longitudinal cross sections from Deuterium and Helium-3 were compared to Hydrogen to look for signatures of the nuclear pions.

  12. Diffusion of hydrogen, deuterium, and tritium in niobium

    SciTech Connect

    Matusiewicz, Gerald Robert

    1981-01-01

    The diffusion of hydrogen in niobium was investigated over the temperature range 148 to 500 degrees Kelvin, using measurements of the elastic after effect caused by long range diffusion (the Gorsky Effect). Relaxation curves for pure annealed niobium were generally not of the single exponential form expected from the Gorsky Effect theory, but were described well by a sum of two exponential curves with different amplitudes and relaxation times. The effects of oxygen and nitrogen interstitials on the diffusion were studied and were not in agreement with conventional trapping models. Deuterium and tritium diffusion in niobium were also studied, and a non-classical isotope effect was observed. Hydrogen diffusion coefficients in several Nb-Ta alloys were measured, and the diffusivity in all these alloys exhibited a non-Arrhenius temperature dependence. Experimental results were compared to several models for diffusion and trapping. A model is presented which can account for the form of the relaxation curves observed in pure, annealed niobium.

  13. Diffusion of hydrogen, deuterium, and tritium in niobium

    SciTech Connect

    Matusiewicz, G.R.

    1981-01-01

    The diffusion of hydrogen in niobium was investigated over the temperature range 148 to 500 degrees Kelvin, using measurements of the elastic after effect caused by long range diffusion (the Gorsky Effect). Relaxation curves for pure annealed niobium were generally not of the single exponential form expected from the Gorsky Effect theory, but were described well by a sum of two exponential curves with different amplitudes and relaxation times. Relaxation curves for pure niobium that had been cold worked had the expected form, but the hydrogen diffusion deviated from an Arrhenius temperature dependence. The effects of oxygen and nitrogen interstitials on the diffusion were studied and were not in agreement with conventional trapping models. Deuterium and tritium diffusion in niobium were also studied, and a non-classical isotope effect was observed. Hydrogen diffusion coefficients in several Nb-Ta alloys were measured, and the diffusivity in all these alloys exhibited a non-Arrhenius temperature dependence. Experimental results were compared to several models for diffusion and trapping. A model is presented which can account for the form of the relaxation curves observed in pure, annealed nioium.

  14. Regioselective hydrogen-deuterium exchange in the [B10H10]2– anion. Syntheses of [1,10B10H8D2]2– and [2,3,4,5,6,7,8,9B10H2D8]2–

    Microsoft Academic Search

    I. B. Sivaev; P. V. Petrovskii; A. M. Filin; E. S. Shubina; V. I. Bregadze

    2001-01-01

    Decahydro-closo-decaborate anion, [B10H10]2–, undergoes regioselective deuterio-exchange in methanol-d4. Selectively deuterated derivatives [1,10-B10H8D2]2– and [2,3,4,5,6,7,8,9-B10H2D8]2– were synthesized.

  15. Rosenbluth Separation of the pion electroproduction cross section from Hydrogen, Deuterium, Carbon and Copper targets

    NASA Astrophysics Data System (ADS)

    Qian, Xin; Clasie, Ben; Dutta, Dipangkar; Gao, Haiyan

    2006-10-01

    Pion electroproduction data was collected from six targets, including hydrogen, deuterium, carbon and copper, in Jefferson Lab experiment E01-107. The primary motivation of this experiment is to search for signatures of a phenomenon predicted by perturbative quantum chromodynamics (pQCD) known as Color Transparency (CT). In this experiment the nuclear transparency of pions is extracted by using the ratio of semi-exclusive pion electroproduction from nuclear targets to the same from a hydrogen target. This method relies on the assumption that the reaction mechanism of electropion production from hydrogen is similar to the quasi-free eletropion production from nuclear targets. This assumption can tested by performing a Longitudinal-Transverse (L-T) separation of the pion electroproduction cross section and comparing the separated cross sections from hydrogen to that from heavier targets. In order to perform an L-T separation, data were collected at forward and backward electron angles at fixed momentum transfer squared (Q^2), for Q^2=2.15 and 4.0 GeV^2/c^2, which were chosen to fall within the Q^2 range over which the nuclear transparency is extracted. The extracted longitudinal and transverse cross sections at the two Q^2 settings from hydrogen, deuterium, carbon and copper targets will be presented.

  16. Quantum interference effects in laser spectroscopy of muonic hydrogen, deuterium and helium-3

    E-print Network

    Amaro, Pedro; Krauth, Julian J; Diepold, Marc; Fratini, Filippo; Safari, Laleh; Machado, Jorge; Antognini, Aldo; Kottmann, Franz; Indelicato, Paul; Pohl, Randolf; Santos, José Paulo

    2015-01-01

    Quantum interference between energetically close states is theoretically investigated, with the state structure being observed via laser spectroscopy. In this work, we focus on hyperfine states of selected hydrogenic muonic isotopes, and on how quantum interference affects the measured Lamb shift. The process of photon excitation and subsequent photon decay is implemented within the framework of non-relativistic second-order perturbation theory. Due to its experimental interest, detailed calculations are performed for muonic hydrogen, deuterium and helium-3. We restrict our analysis to the case of photon scattering by incident linear polarized photons and the polarization of the scattered photons not being observed, which is the frequent case in most of laser spectroscopy experiments, e.g. the ones of the CREMA collaboration. We conclude that while quantum interference effects can be safely neglected in muonic hydrogen and helium-3, in case of muonic deuterium there are resonances with close proximity, where ...

  17. The ground state properties of spin-aligned atomic hydrogen, deuterium, and tritium

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R. W.

    1975-01-01

    The internal energy, pressure, and compressibility of ground-state, spin-aligned atomic hydrogen, deuterium, and tritium are calculated assuming that all pair interactions occur via the atomic triplet (spin-aligned) potential. The conditions required to obtain atomic hydrogen and its isotopes in bulk are discussed; such a development would be of value in propulsion systems because of the light mass and energetic recombination of atomic hydrogen. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K, and that tritium forms a liquid with a binding energy of approximately -0.75 K per atom at a molar volume of 130 cu cm per mole. The pair distribution function for these systems is calculated, and the predicted superfluid behavior of atomic triplet hydrogen and tritium is briefly discussed.

  18. The torque dependence of the H-mode power threshold in hydrogen, deuterium and helium plasmas in DIII-D

    SciTech Connect

    Gohil, P. [General Atomics; Jernigan, T. C. [Oak Ridge National Laboratory (ORNL); Osborne, T.H. [General Atomics, San Diego; Scoville, J. T. [General Atomics, San Diego; Strait, E. J. [General Atomics

    2010-01-01

    On DIII-D, the H-mode power threshold has been determined for hydrogen, deuterium and helium plasmas heated by neutral beam injection and/or by electron cyclotron heating and as a function of the applied torque plasmas for plasma configurations in the favourable ion grad-B drift direction. The H-mode threshold power has been determined to increase with input torque for all the main ion species (hydrogen, deuterium and helium). The H-mode threshold power for similar plasma parameters and configurations is the least for deuterium, followed by helium and hydrogen in that order. The plasma geometry also affects the power threshold, which is dependent on the X-point height.

  19. Hydrogen\\/Deuterium Exchange Monitored by Liquid Chromatography Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry-Method Optimization and Applications to the Study of Protein Conformation and Protein-Drug Interactions

    Microsoft Academic Search

    Hui-Min Zhang

    2009-01-01

    Proteins are the most versatile macromolecules in the cell. Major biochemical functions of proteins include binding; catalysis; and serving as structural components of cells and organisms. Proteins are made of amino acids that are linearly connected by peptide bonds. The linear protein sequence, determined by a gene, can fold into higher-level structures. Proper protein structure\\/conformation is important to maintain its

  20. A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. II. Protolytic dehydrogenation and hydrogen-deuterium hetero-isotope exchange of paraffins on high-silica zeolites

    Microsoft Academic Search

    V. B. Kazansky; M. V. Frash; Santen van RA

    1994-01-01

    HF-21G quantum-chemical analysis of the protolytic attack of acid protons in zeolites at the C-H bonds in methane and ethane indicated that the resulting transition states depend on the sign of the bond polarization. If a hydride ion is split off from the paraffin, then the transition state resembles the adsorbed carbonium ion and the reaction results in molecular hydrogen

  1. Mapping the structure of folding cores in TIM barrel proteins by hydrogen exchange mass spectrometry: the roles of motif and sequence for the indole-3-glycerol phosphate synthase from Sulfolobus solfataricus.

    PubMed

    Gu, Zhenyu; Zitzewitz, Jill A; Matthews, C Robert

    2007-04-27

    To test the roles of motif and amino acid sequence in the folding mechanisms of TIM barrel proteins, hydrogen-deuterium exchange was used to explore the structure of the stable folding intermediates for the of indole-3-glycerol phosphate synthase from Sulfolobus solfataricus (sIGPS). Previous studies of the urea denaturation of sIGPS revealed the presence of an intermediate that is highly populated at approximately 4.5 M urea and contains approximately 50% of the secondary structure of the native (N) state. Kinetic studies showed that this apparent equilibrium intermediate is actually comprised of two thermodynamically distinct species, I(a) and I(b). To probe the location of the secondary structure in this pair of stable on-pathway intermediates, the equilibrium unfolding process of sIGPS was monitored by hydrogen-deuterium exchange mass spectrometry. The intact protein and pepsin-digested fragments were studied at various concentrations of urea by electrospray and matrix-assisted laser desorption ionization time-of-flight mass spectrometry, respectively. Intact sIGPS strongly protects at least 54 amide protons from hydrogen-deuterium exchange in the intermediate states, demonstrating the presence of stable folded cores. When the protection patterns and the exchange mechanisms for the peptides are considered with the proposed folding mechanism, the results can be interpreted to define the structural boundaries of I(a) and I(b). Comparison of these results with previous hydrogen-deuterium exchange studies on another TIM barrel protein of low sequence identify, alpha-tryptophan synthase (alphaTS), indicates that the thermodynamic states corresponding to the folding intermediates are better conserved than their structures. Although the TIM barrel motif appears to define the basic features of the folding free energy surface, the structures of the partially folded states that appear during the folding reaction depend on the amino acid sequence. Markedly, the good correlation between the hydrogen-deuterium exchange patterns of sIGPS and alphaTS with the locations of hydrophobic clusters defined by isoleucine, leucine, and valine residues suggests that branch aliphatic side-chains play a critical role in defining the structures of the equilibrium intermediates. PMID:17359995

  2. Investigation of the role of the micro-porous layer in polymer electrolyte fuel cells with hydrogen deuterium contrast neutron radiography.

    PubMed

    Cho, Kyu Taek; Mench, Matthew M

    2012-03-28

    In this study, the high resolution hydrogen-deuterium contrast radiography method was applied to elucidate the impact of the micro-porous layer (MPL) on water distribution in the porous fuel cell media. At the steady state, deuterium replaced hydrogen in the anode stream, and the large difference in neutron attenuation of the D(2)O produced at the cathode was used to track the produced water. It was found that the water content peaked in the cathode-side diffusion media (DM) for the cell without MPL, but with an MPL on the anode and cathode DM, the peak water amount was pushed toward the anode, resulting in a relatively flattened water profile through components and demonstrating a liquid barrier effect. Additionally, the dynamic water behavior in diffusion media was analyzed to understand the effect of a MPL and operating conditions. The water content in the DM changed with applied current, although there is a significant amount of residual liquid content that does not appear to be part of capillary channels. The effect of the MPL on irreducible saturation in DM and cell performance was also investigated. PMID:22337210

  3. Hydrogen\\/deuterium recycling and initial results of helium ash study in JT-60U

    Microsoft Academic Search

    H. Nakamura; A. Sakasai; M. Shimada; R. Yoshino; T. Arai; T. Fukuda; T. Hirayama; N. Hosogane; S. Ishida; A. Kaminaga; Y. Koide; H. Kubo; T. Nishitani; T. Sugie

    1992-01-01

    Reduction of particle recycling is an important technique in present plasma devices to improve energy confinement characteristics. Besides obtaining long pulse DT burning plasmas, controlled fuelling of the plasma with the primary species and removal of the helium ash are important issues. In the JT-60U tokamak, about 90% of the inner surface is covered with graphite tiles. Because recycling becomes

  4. beta Lactamase Binds to GroEL in a Conformation Highly Protected against Hydrogen\\/Deuterium Exchange

    Microsoft Academic Search

    Pietro Gervasoni; Werner Staudenmann; Peter James; Peter Gehrig; Andreas Pluckthun

    1996-01-01

    Escherichia coli RTEM beta -lactamase reversibly forms a stable complex with GroEL, devoid of any enzymatic activity, at 48 degrees C. When beta -lactamase is diluted from this complex into denaturant solution, its unfolding rate is identical to that from the native state, while the unfolding rate from the molten globule state is too fast to be measured. Electrospray mass

  5. Optimum extracted H{sup {minus}} and D{sup {minus}} current densities from gas-pressure-limited high-power hydrogen/deuterium tandem ion sources

    SciTech Connect

    Hiskes, J.R.

    1993-07-14

    The tandem hydrogen/deuterium ion source is modelled for the purpose of identifying the maximum current densities that can be extracted subject to the gas-pressure constraints proposed for contemporary beam-line systems. Optimum useful extracted current densities are found to be in the range of approximately 7 to 10 mA cm{sup {minus}2}. The sensitivity of these current densities is examined subject to uncertainties in the underlying atomic/molecular rate processes; A principal uncertainty remains the quantification of the molecular vibrational distribution following H{sub 3{sup +}} wall collisions.

  6. Determination of hydrogen/deuterium ratio with neutron measurements on MAST.

    PubMed

    Klimek, I; Cecconello, M; Sharapov, S E; Harrison, J; Ericsson, G

    2014-11-01

    On MAST, compressional Alfvén eigenmodes can be destabilized by the presence of a sufficiently large population of energetic particles in the plasma. This dependence was studied in a series of very similar discharges in which increasing amounts of hydrogen were puffed into a deuterium plasma. A simple method to estimate the isotopic ratio nH/nD using neutron emission measurements is here described. The inferred isotopic ratio ranged from 0.0 to 0.6 and no experimental indication of changes in radial profile of nH/nD were observed. These findings are confirmed by TRANSP/NUBEAM simulations of the neutron emission. PMID:25430288

  7. Determination of hydrogen/deuterium ratio with neutron measurements on MAST

    SciTech Connect

    Klimek, I., E-mail: iwona.klimek@physics.uu.se; Cecconello, M.; Ericsson, G. [Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden); Sharapov, S. E.; Harrison, J. [CCFE, Culham Science Centre, Abingdon (United Kingdom)

    2014-11-15

    On MAST, compressional Alfvén eigenmodes can be destabilized by the presence of a sufficiently large population of energetic particles in the plasma. This dependence was studied in a series of very similar discharges in which increasing amounts of hydrogen were puffed into a deuterium plasma. A simple method to estimate the isotopic ratio n{sub H}/n{sub D} using neutron emission measurements is here described. The inferred isotopic ratio ranged from 0.0 to 0.6 and no experimental indication of changes in radial profile of n{sub H}/n{sub D} were observed. These findings are confirmed by TRANSP/NUBEAM simulations of the neutron emission.

  8. Canadian Arctic Shelf Exchange Study

    NSDL National Science Digital Library

    The Canadian Arctic Shelf Exchange Study (CASES) is an international effort under Canadian leadership to understand the biogeochemical and ecological consequences of sea ice variability and change on the Mackenzie Shelf. After an introduction to the program, this site lists the objectives of the program which covered the assessment of several potentials including the impact of increased UV radiation on biological productivity, the role of microheterotrophs and mesozooplankton in transforming particulate and dissolved matter on the shelf, the fluxes of particulate matter and carbon across the shelf to the deep basins, the distribution of riverine and airborne contaminants in the trophic web, and the potential impact of a reduction in ice habitat on birds and marine mammals. Objectives also included Physical and biological measurements that will be used to constrain and calibrate regional models of climate and ice dynamics in the western Canadian Arctic and biophysical models of the carbon flows on the Canadian Arctic shelf. The site offers links to descriptions of the scientific activities of both CASES 2002 and CASES 2003-2004, the Canadian Coast Guard Ship (CCGS) Amundsen, and the Schools On Board program, designed to interest Canadian high school students in Arctic studies. Most sections are enhanced by photographs and the site is also available in French.

  9. Catalysis of Amide Proton Exchange by the Molecular Chaperones GroEL and SecB

    Microsoft Academic Search

    Ralph Zahn; Sarah Perrett; Gun Stenberg; Alan R. Fersht

    1996-01-01

    Hydrogen-deuterium exchange of 39 amide protons of Bacillus amyloliquefaciens ribonuclease (barnase) was analyzed by two-dimensional nuclear magnetic resonance in the presence of micromolar concentrations of the molecular chaperones GroEL and SecB. Both chaperones bound to native barnase under physiological conditions and catalyzed exchange of deeply buried amide protons with solvent. Such exchange required complete unfolding of barnase, which occurred in

  10. Synthesis of model humic substances: a mechanistic study using controllable H/D exchange and Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Zherebker, Alexander Ya; Airapetyan, David; Konstantinov, Andrey I; Kostyukevich, Yury I; Kononikhin, Alexey S; Popov, Igor A; Zaitsev, Kirill V; Nikolaev, Eugene N; Perminova, Irina V

    2015-06-15

    The products of the oxidative coupling of phenols are frequently used as synthetic analogues to natural humic substances (HS) for biomedical research. However, their molecular compositions and exact structures remain largely unknown. The objective of this study was to develop a novel approach for the molecular-level analysis of phenolic polymerisates that is capable of inventorying molecular constituents and resolving their distinct structural formulas. For this purpose, we have synthesized the model HS using the oxidative coupling of a specifically designed phenylpropanoic monomer, 3-(4-hydroxy-3-methoxyphenyl)-3-oxopropionic acid, to hydroquinone. We have characterized the synthesized model HS using high resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS), (1)H NMR spectroscopy, and controllable hydrogen/deuterium (H/D) exchange. We succeeded in the molecular inventory of the model HS. The assigned molecular formulas occupied the substantial space of CHO compositions in the Van Krevelen diagram with a maximum density found in the regions of tannins and lignins, resembling those of natural HS. To identify the exact structural formulas of the individual constituents in the model HS, we have applied selective H/D exchange of non-labile backbone protons by a choice of basic or acidic catalytic conditions followed by FTICR MS. The determined formulas allowed us to verify the proposed pathways of hydroxylation and carboxylation in the course of the phenolic coupling and to identify the acetylation of aromatic rings as an important side reaction. We conclude that the proposed analytical approach may be used to identify the molecular carriers of biological activity within the phenolic polymerisates and eventually within natural HS. PMID:25988201

  11. Dissection of conformational conversion events during prion amyloid fibril formation using hydrogen exchange and mass spectrometry.

    PubMed

    Singh, Jogender; Udgaonkar, Jayant B

    2013-09-23

    A molecular understanding of prion diseases requires an understanding of the mechanism of amyloid fibril formation by the prion protein. In particular, it is necessary to define the sequence of the structural events describing the conformational conversion of monomeric PrP to aggregated PrP. In this study, the sequence of the structural events in the case of amyloid fibril formation by recombinant mouse prion protein at pH7 has been characterized by hydrogen-deuterium exchange and mass spectrometry. The observation that fibrils are substantially more stable to hydrogen-deuterium exchange than is native monomer allows both forms to be quantified during the course of the aggregation reaction. Under the aggregation conditions utilized, native monomeric protein and amyloid fibrils are the only forms of the protein detectable during the course of the fibril formation reaction, suggesting that monomer directly adds on to the fibril template. Conformational conversion is shown to occur in two steps after the binding of monomer to fibril, with helix 1 unfolding only after helices 2 and 3 transform into ?-sheet. Local stability in the ?-sheet core region (residues ~159-225) of the fibrils is shown to be sequence dependent in that it varies along the length of the core, and local stability in protein molecules that are ordered in the structurally heterogeneous sequence segment 109-132 is shown to be similar to that in the core. This new understanding of the structural events during prion protein aggregation has important bearing on our comprehension of the molecular basis of prion pathogenesis. PMID:23811055

  12. Competition, Liquidity and Volatility - A Comparative Study of Bombay Stock Exchange and National Stock Exchange

    Microsoft Academic Search

    Chandrasekhar Krishnamurti; Eugene Lim

    2000-01-01

    India currently has two major stock exchanges: The Bombay Stock Exchange and theNational Stock Exchange. There are important differences in ownership structure,geographic reach, internal control systems and institutionalised risk managementfacilities between the Bombay Stock Exchange and the National Stock Exchange.The purpose of this study is to examine if these significant structural differencesbetween these stock exchanges contribute to variations in observed

  13. Exchange of deeply trapped and interstitial hydrogen in silicon

    SciTech Connect

    Tuttle, B. [Department of Physics, University of Illinois, Urbana, Illinois 61801 (United States)] [Department of Physics, University of Illinois, Urbana, Illinois 61801 (United States); Van de Walle, C.G. [Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304 (United States)] [Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304 (United States); Adams, J.B. [Department of Chemical, Bio and Materials Engineering, Arizona State University, Tempe, Arizona 85287-6006 (United States)] [Department of Chemical, Bio and Materials Engineering, Arizona State University, Tempe, Arizona 85287-6006 (United States)

    1999-02-01

    Using {ital ab initio} density-functional calculations, we examine possible exchange mechanisms between an interstitial hydrogen atom and a deeply bound H at a silicon-hydrogen bond. We determine a low-energy pathway for exchange, which involves an intermediate, metastable {equivalent_to}SiH{sub 2} complex with both hydrogen atoms strongly bound to the silicon atom. The energy barrier for the exchange process is E{sub ex}{lt}0.2 eV, consistent with observations of hydrogen-deuterium exchange in a-Si:H(D) films. {copyright} {ital 1999} {ital The American Physical Society}

  14. Cryogenic tritium-hydrogen-deuterium and deuterium-tritium layer implosions with high density carbon ablators in near-vacuum hohlraums

    NASA Astrophysics Data System (ADS)

    Meezan, N. B.; Berzak Hopkins, L. F.; Le Pape, S.; Divol, L.; MacKinnon, A. J.; Döppner, T.; Ho, D. D.; Jones, O. S.; Khan, S. F.; Ma, T.; Milovich, J. L.; Pak, A. E.; Ross, J. S.; Thomas, C. A.; Benedetti, L. R.; Bradley, D. K.; Celliers, P. M.; Clark, D. S.; Field, J. E.; Haan, S. W.; Izumi, N.; Kyrala, G. A.; Moody, J. D.; Patel, P. K.; Ralph, J. E.; Rygg, J. R.; Sepke, S. M.; Spears, B. K.; Tommasini, R.; Town, R. P. J.; Biener, J.; Bionta, R. M.; Bond, E. J.; Caggiano, J. A.; Eckart, M. J.; Gatu Johnson, M.; Grim, G. P.; Hamza, A. V.; Hartouni, E. P.; Hatarik, R.; Hoover, D. E.; Kilkenny, J. D.; Kozioziemski, B. J.; Kroll, J. J.; McNaney, J. M.; Nikroo, A.; Sayre, D. B.; Stadermann, M.; Wild, C.; Yoxall, B. E.; Landen, O. L.; Hsing, W. W.; Edwards, M. J.

    2015-06-01

    High Density Carbon (or diamond) is a promising ablator material for use in near-vacuum hohlraums, as its high density allows for ignition designs with laser pulse durations of <10 ns. A series of Inertial Confinement Fusion (ICF) experiments in 2013 on the National Ignition Facility [Moses et al., Phys. Plasmas 16, 041006 (2009)] culminated in a deuterium-tritium (DT) layered implosion driven by a 6.8 ns, 2-shock laser pulse. This paper describes these experiments and comparisons with ICF design code simulations. Backlit radiography of a tritium-hydrogen-deuterium (THD) layered capsule demonstrated an ablator implosion velocity of 385 km/s with a slightly oblate hot spot shape. Other diagnostics suggested an asymmetric compressed fuel layer. A streak camera-based hot spot self-emission diagnostic (SPIDER) showed a double-peaked history of the capsule self-emission. Simulations suggest that this is a signature of low quality hot spot formation. Changes to the laser pulse and pointing for a subsequent DT implosion resulted in a higher temperature, prolate hot spot and a thermonuclear yield of 1.8 × 1015 neutrons, 40% of the 1D simulated yield.

  15. Solution-phase deuterium/hydrogen exchange at a specific residue using nozzle-skimmer and electron capture dissociation mass spectrometry.

    PubMed

    Hagman, Charlotte; Tsybin, Yury O; Håkansson, Per

    2006-01-01

    Information about protein conformation can be obtained with hydrogen/deuterium exchange (HDX) mass spectrometry. The isotopic solution-phase exchange of specific amide hydrogen atoms can be followed using low-vacuum nozzle-skimmer collision-induced dissociation (CID). In this study, the nozzle-skimmer technique was complemented by electron capture dissociation (ECD) Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS). The solution-phase exchange at a specific residue is monitored by comparing isotopic distributions of two consecutive b- or c-type ions. While nozzle-skimmer fragmentation takes place in the low-vacuum region of the mass spectrometer, ECD occurs at ultra-high vacuum within the mass analyzer cell of the FTICR mass spectrometer. The dissociations take place at 10(-4) and 10(-9) mbar, respectively. Low-vacuum nozzle-skimmer fragmentation can result in intramolecular exchange between product ions and solvent molecules in the gas phase. Consequently, the solution-phase information about protein or peptide conformation is lost. It was not possible to monitor isotopic solution-phase exchange at the eighth residue in substance P, (Phe)8, with nozzle-skimmer CID. By using the in-cell ECD fragmentation method, the solution-phase exchange at the (Phe)8 residue was preserved during mass spectrometric analysis. This result shows the complementary aspects of applying fragmentation at low and at high vacuum, when studying isotopic exchange in solution at specific residues using FTICRMS. PMID:16447307

  16. Signatures of the electron saddle swaps mechanism in the photon spectra following charge-exchange collisions

    NASA Astrophysics Data System (ADS)

    Otranto, Sebastian

    2014-10-01

    During the last few years, several experimental and theoretical studies have focused on state selective charge exchange processes between charged ions and alkali metals. These data are of particular importance for the tokamak nuclear fusion reactor program, since diagnostics on the plasma usually rely on charge-exchange spectroscopy. In this sense, alkali metals, have been proposed as potential alternatives to excited hydrogen/deuterium for which laboratory experiments are not feasible at present. In this talk, we present our recent work involving ion collisions with alkali metals. Oscillatory structures in the angular differential charge-exchange cross sections obtained using the MOTRIMS technique are correctly described by classical trajectory Monte Carlo simulations. These oscillations are found to originate from the number of swaps the electron undergoes around the projectile-target potential saddle before capture takes place and are very prominent at impact energies below 10 keV/amu. Moreover, cross sections of higher order of differentiability also indicate that the swaps leave distinctive signatures in the (n,l)-state selective cross sections and in the photon line emission cross sections. Oscillatory structures for the x-ray hardness ratio parameter are also predicted. In collaboration with Ronnie Hoekstra, Zernike Institute for Advanced Materials, University of Groningen and Ronald Olson, Department of Physics, Missouri University of Science and Technology.

  17. Gas-phase and Solution-phase Peptide Conformations Studied by Ion Mobility-mass Spectrometry and Molecular Dynamics Simulations

    E-print Network

    Chen, Liuxi

    2012-10-19

    dimer is investigated using a combination of mass spectrometry techniques, viz. ESI-IM-MS and hydrogen/deuterium exchange (HDX)-MS, and MDS. The IM experiments reveal three distinct gramicidin A species, detected as the sodium ion adduct ions, [2GA + 2Na...

  18. Design study of plastic film heat exchanger

    NASA Astrophysics Data System (ADS)

    Guyer, E. C.; Brownell, D. L.

    1986-02-01

    This report presents the results of an effort to develop and design a unique thermoplastic film heat exchanger for use in an industrial heat pump evaporator system and other energy recovery applications. The concept for the exchanger is that of individual heat exchange elements formed by two adjoining and freely hanging plastic films. Liquid flows downward in a regulated fashion between the films due to the balance of hydrostatic and frictional forces. The fluid stream on the outside of film may be a free-falling liquid film, a condensing gas, or a noncondensing gas. The flow and structural principles are similar to those embodied in an earlier heat exchange system developed for use in waste water treatment systems (Sanderson). The design allows for high heat transfer rates while working within the thermal and structural limitations of thermoplastic materials. The potential of this new heat exchanger design lies in the relatively low cost of plastic film and the high inherent corrosion and fouling resistance. This report addresses the selection of materials, the potential heat transf er performance, the mechanical design and operation of a unit applied in a low pressure steam recovery system, and the expected selling price in comparison to conventional metallic shell and tube heat exchangers.

  19. Isotope effects of neodymium in different ligands exchange systems studied by ion exchange displacement chromatography

    PubMed Central

    Ismail, Ibrahim; Fawzy, Ahmed S.; Ahmad, Mohammad I.; Aly, Hisham F.; Nomura, Masao; Fujii, Yasuhiko

    2012-01-01

    The isotope effects of neodymium in Nd-glycolate ligand exchange system were studied by using ion exchange chromatography. The separation coefficients of neodymium isotopes, ?’s, were calculated from the observed isotopic ratios at the front and rear boundaries of the neodymium adsorption band. The values of separation coefficients of neodymium isotopes, ?’s, for the Nd-glycolate ligand exchange system were compared with those of Nd-malate and Nd-citrate, which indicated that the isotope effects of neodymium as studied by the three ligands takes the following direction Malate > Citrate > Glycolate. This order agrees with the number of available sites for complexation of each ligand. The values of the plate height, HETP of Nd in Nd-ligand exchange systems were also calculated. PMID:25685410

  20. Isotope effects of neodymium in different ligands exchange systems studied by ion exchange displacement chromatography.

    PubMed

    Ismail, Ibrahim; Fawzy, Ahmed S; Ahmad, Mohammad I; Aly, Hisham F; Nomura, Masao; Fujii, Yasuhiko

    2013-03-01

    The isotope effects of neodymium in Nd-glycolate ligand exchange system were studied by using ion exchange chromatography. The separation coefficients of neodymium isotopes, ?'s, were calculated from the observed isotopic ratios at the front and rear boundaries of the neodymium adsorption band. The values of separation coefficients of neodymium isotopes, ?'s, for the Nd-glycolate ligand exchange system were compared with those of Nd-malate and Nd-citrate, which indicated that the isotope effects of neodymium as studied by the three ligands takes the following direction Malate > Citrate > Glycolate. This order agrees with the number of available sites for complexation of each ligand. The values of the plate height, HETP of Nd in Nd-ligand exchange systems were also calculated. PMID:25685410

  1. Xenon NMR studies of dynamics and exchange in zeolites

    SciTech Connect

    Moudrakovski, I.L.; Ratcliffe, C.I.; Ripmeester, J.A. [Steacie Institute for Molecular Sciences, Ottawa, Ontario (Canada)

    1996-10-01

    We have found, despite earlier reports to the contrary, that for many microporous solids with one-dimensional channels (ZSM-12, ALPO-5, VPI-5, SSZ-24) the chemical shift has an anisotropic component. For ALPO-11, a detailed model has been developed which accounts for the loading-dependent chemical shift in terms of intraparticle exchange of statistical distributions of xenon atoms with 0, 1 or 2 nearest neighbors. A similar model can be applied to ZSM-12 up to moderate loadings. At higher loading levels 2D exchange methods show that interparticle exchange occurs as well. The same approach was used to study interparticle exchange in X and Y zeolite mixtures, exchange amongst zeolite clusters of up to 8 xenon atoms in the supercages of AgA zeolite, and main channel - side pocket exchange in mordenite. The parameters derived are directly relevant to the understanding of sorption and diffusion processes in zeolites.

  2. International Office Study Abroad and Exchange Program

    E-print Network

    Petriu, Emil M.

    ..............................................................................8 Academic Matters 8 Health Insurance 10 Financial requirements 11 Housing / Accommodation 12 Pre.lowe@sydney.edu.au Exchange Adviser for: · Asia-Pacific (China, Hong Kong, Malaysia, New Zealand, Singapore, Taiwan, Thailand located here include Agriculture, Food and Natural Resources, Architecture, Arts & Social S

  3. Structural Study of Tetramethylphosphonium-Exchanged Vermiculite

    Microsoft Academic Search

    A. Vahedi-Faridi; STEPHEN GUGGENHEIM

    1999-01-01

    Vermic ulite from Santa Olalla, Spain, was intercalated with tetramethylphosphonium (P(CH3)4 + = TMP), using a TMP-bromide solution at 70~ for three weeks. The resulting TMP-exchanged vermiculite, which contained a small (<5% of a site) amount of residual interlayer Ca, showed near t~erfect three-dimensional stacking. Cell parameters are a - 5.3492(8) A, b = 9.266(2) A, c = 14.505(6) A,

  4. Proton translocation in cytochrome c oxidase: insights from proton exchange kinetics and vibrational spectroscopy.

    PubMed

    Ishigami, Izumi; Hikita, Masahide; Egawa, Tsuyoshi; Yeh, Syun-Ru; Rousseau, Denis L

    2015-01-01

    Cytochrome c oxidase is the terminal enzyme in the electron transfer chain. It reduces oxygen to water and harnesses the released energy to translocate protons across the inner mitochondrial membrane. The mechanism by which the oxygen chemistry is coupled to proton translocation is not yet resolved owing to the difficulty of monitoring dynamic proton transfer events. Here we summarize several postulated mechanisms for proton translocation, which have been supported by a variety of vibrational spectroscopic studies. We recently proposed a proton translocation model involving proton accessibility to the regions near the propionate groups of the heme a and heme a3 redox centers of the enzyme based by hydrogen/deuterium (H/D) exchange Raman scattering studies (Egawa et al., PLoS ONE 2013). To advance our understanding of this model and to refine the proton accessibility to the hemes, the H/D exchange dependence of the heme propionate group vibrational modes on temperature and pH was measured. The H/D exchange detected at the propionate groups of heme a3 takes place within a few seconds under all conditions. In contrast, that detected at the heme a propionates occurs in the oxidized but not the reduced enzyme and the H/D exchange is pH-dependent with a pKa of ~8.0 (faster at high pH). Analysis of the thermodynamic parameters revealed that, as the pH is varied, entropy/enthalpy compensation held the free energy of activation in a narrow range. The redox dependence of the possible proton pathways to the heme groups is discussed. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. PMID:25268561

  5. Simultaneous monitoring of peptide aggregate distributions, structure, and kinetics using amide hydrogen exchange: application to Abeta(1-40) fibrillogenesis.

    PubMed

    Qi, Wei; Zhang, Aming; Patel, Dhara; Lee, Sungmun; Harrington, Jamie L; Zhao, Liming; Schaefer, David; Good, Theresa A; Fernandez, Erik J

    2008-08-15

    Increasing evidence indicates that soluble aggregates of amyloid beta protein (Abeta) are neurotoxic. However, difficulty in isolating these unstable, dynamic species impedes studies of Abeta and other aggregating peptides and proteins. In this study, hydrogen-deuterium exchange (HX) detected by mass spectrometry (MS) was used to measure Abeta(1-40) aggregate distributions without purification or modification that might alter the aggregate structure or distribution. Different peaks in the mass spectra were assigned to monomer, low molecular weight oligomer, intermediate, and fibril based on HX labeling behavior and complementary assays. After 1 h labeling, the intermediates incorporated approximately ten more deuterons relative to fibrils, indicating a more solvent exposed structure of such intermediates. HX-MS also showed that the intermediate species dissociated much more slowly to monomer than did the very low molecular weight oligomers that were formed at very early times in Abeta aggregation. Atomic force microscopy (AFM) measurements revealed the intermediates were roughly spherical with relatively homogenous diameters of 30-50 nm. Quantitative analysis of the HX mass spectra showed that the amount of intermediate species was correlated with Abeta toxicity patterns reported in a previous study under the same conditions. This study also demonstrates the potential of the HX-MS approach to characterizing complex, multi-component oligomer distributions of aggregating peptides and proteins. PMID:18351682

  6. Conducting Event Studies on a Small Stock Exchange

    Microsoft Academic Search

    Jan Bartholdy; Dennis Olson; Paula Peare

    2007-01-01

    This paper analyses whether it is possible to perform an event study on a small stock exchange with thinly trade stocks. The main conclusion is that event studies can be performed provided that certain adjustments are made. First, a minimum of 25 events appears necessary to obtain acceptable size and power in statistical tests. Second, trade to trade returns should

  7. Exchange/Study Abroad International Office

    E-print Network

    Anderson, Jim

    Photography Motion Graphics Fashion/Textile Design Pathway Fashion Design Knitwear Printed Textiles Woven Textiles Current year of study Year 1 Year 2 Year 3 Year 4 Other _______ All Pathways I enclose a portfolio

  8. Ligand exchange in quaternary alloyed nanocrystals--a spectroscopic study.

    PubMed

    Gabka, Grzegorz; Bujak, Piotr; Giedyk, Kamila; Kotwica, Kamil; Ostrowski, Andrzej; Malinowska, Karolina; Lisowski, Wojciech; Sobczak, Janusz W; Pron, Adam

    2014-11-14

    Exchange of initial, predominantly stearate ligands for pyridine in the first step and butylamine (BA) or 11-mercaptoundecanoic acid (MUA) in the second one was studied for alloyed quaternary Cu-In-Zn-S nanocrystals. The NMR results enabled us to demonstrate, for the first time, direct binding of the pyridine labile ligand to the nanocrystal surface as evidenced by paramagnetic shifts of the three signals attributed to its protons to 7.58, 7.95 and 8.75 ppm. XPS investigations indicated, in turn, a significant change in the composition of the nanocrystal surface upon the exchange of initial ligands for pyridine, which being enriched in indium in the 'as prepared' form became enriched in zinc after pyridine binding. This finding indicated that the first step of ligand exchange had to involve the removal of the surface layer enriched in indium with simultaneous exposure of a new, zinc-enriched layer. In the second ligand exchange step (replacement of pyridine with BA or MUA) the changes in the nanocrystal surface compositions were much less significant. The presence of zinc in the nanocrystal surface layer turned out necessary for effective binding of pyridine as shown by a comparative study of ligand exchange in Cu-In-Zn-S, Ag-In-Zn-S and CuInS2, carried out by complementary XPS and NMR investigations. PMID:25252174

  9. HEAT EXCHANGER DESIGN STUDIES FOR AN LHC INNER TRIPLET UPGRADE

    SciTech Connect

    Rabehl, R. J.; Huang, Y. [Fermi National Accelerator Laboratory Batavia, Illinois, 60510 (United States)

    2008-03-16

    A luminosity upgrade of the CERN Large Hadron Collider (LHC) is planned to coincide with the expected end of life of the existing inner triplet quadrupole magnets. The upgraded inner triplet will have much larger heat loads to be removed from the magnets by the cryogenics system. A number of cryogenics design studies have been completed under the LHC Accelerator Research Program (LARP), including investigations of required heat exchanger characteristics to transfer this heat from the pressurized He II bath to the saturated He II system. This paper discusses heat exchangers both external to the magnet cold mass and internal to the magnet cold mass. A possible design for a heat exchanger external to the magnet cold mass is also presented.

  10. GAS COOLED, MOLTEN SALT HEAT EXCHANGER--DESIGN STUDY

    Microsoft Academic Search

    MacPherson

    1958-01-01

    BS> One of the major problems in the economic evaluation of the ; application of forced circulation, gas cooling to high temperature, molten salt ; power reactor systems is the definition of the required heat transfer equipment, ; its size and operating cost. A design study of the saltto-gas heat exchangers ; for such a gas-cooled system has recently been

  11. Practical and economical implementation of online H/D exchange in LC-MS.

    PubMed

    Shah, Ravi P; Garg, Amit; Putlur, Siva Prasad; Wagh, Santosh; Kumar, Vineet; Rao, Venugopala; Singh, Saranjit; Mandlekar, Sandhya; Desikan, Sridhar

    2013-11-19

    Structural elucidation is an integral part of drug discovery and development. In recent years, due to acceleration of the drug discovery and development process, there is a significant need for highly efficient methodologies for structural elucidation. In this work, we devised and standardized a simple and economical online hydrogen-deuterium exchange methodology, which can be used for structure elucidation purposes. Deuterium oxide (D2O) was infused as a postcolumn addition using the syringe pump at the time of elution of the analyte. The obtained hydrogen/deuterium (H/D) exchange spectrum of the unknown analyte was compared with the nonexchanged spectrum, and the extent of deuterium incorporation was delineated by using an algorithm to deconvolute partial H/D exchange, which confirmed the number of labile hydrogen(s) in the analyte. The procedure was standardized by optimizing flow rates of LC output, D2O infusion, sheath gas, and auxiliary gas using the model compound sulfasalazine. The robustness of the methodology was demonstrated by performing sensitivity analysis of various parameters such as concentrations of analyte, effect of matrices, concentrations of aqueous mobile phase, and types of LC modifiers. The optimized technique was also applied to chemically diverse analytes and tested on various mass spectrometers. Moreover, utility of the technique was demonstrated in the areas of impurity profiling and metabolite identification, taking pravastatin-lactone and N-oxide desloratidine, as examples. PMID:24117319

  12. Nucleotide-induced conformational changes of tetradecameric GroEL mapped by H/D exchange monitored by FT-ICR mass spectrometry

    PubMed Central

    Zhang, Qian; Chen, Jin; Kuwajima, Kunihiro; Zhang, Hui-Min; Xian, Feng; Young, Nicolas L.; Marshall, Alan G.

    2013-01-01

    Here we employ hydrogen/deuterium exchange mass spectrometry (HDX-MS) to access E. coli chaperonin GroEL conformation. The ~800 kDa tetradecameric GroEL plays an essential role in the proper folding of many proteins. Previous studies of the structural dynamics of GroEL upon ATP binding have been inconsistent, showing either minimal or major allosteric changes. Our results, based on the native, non-mutated, protein under physiological conditions in solution demonstrate substantial changes in conformation and/or flexibility upon ATP binding. We capture the pivotal step in its functional cycle by use of a non-hydrolyzable ATP analog, ATP?S, to mimic the ATP-bound GroEL state. Comparison of HDX-MS results for apo GroEL and GroEL-ATP?S enables the characterization of the nucleotide-regulated conformational changes throughout the entire protein with high sequence resolution. The 14-mer GroEL complex is the largest protein assembly yet accessed by HDX-MS, with sequence resolution of segments of as few as five amino acids. PMID:23409238

  13. Combining H/D exchange mass spectroscopy and computational docking reveals extended DNA-binding surface on uracil-DNA glycosylase.

    PubMed

    Roberts, Victoria A; Pique, Michael E; Hsu, Simon; Li, Sheng; Slupphaug, Geir; Rambo, Robert P; Jamison, Jonathan W; Liu, Tong; Lee, Jun H; Tainer, John A; Ten Eyck, Lynn F; Woods, Virgil L

    2012-07-01

    X-ray crystallography provides excellent structural data on protein-DNA interfaces, but crystallographic complexes typically contain only small fragments of large DNA molecules. We present a new approach that can use longer DNA substrates and reveal new protein-DNA interactions even in extensively studied systems. Our approach combines rigid-body computational docking with hydrogen/deuterium exchange mass spectrometry (DXMS). DXMS identifies solvent-exposed protein surfaces; docking is used to create a 3-dimensional model of the protein-DNA interaction. We investigated the enzyme uracil-DNA glycosylase (UNG), which detects and cleaves uracil from DNA. UNG was incubated with a 30 bp DNA fragment containing a single uracil, giving the complex with the abasic DNA product. Compared with free UNG, the UNG-DNA complex showed increased solvent protection at the UNG active site and at two regions outside the active site: residues 210-220 and 251-264. Computational docking also identified these two DNA-binding surfaces, but neither shows DNA contact in UNG-DNA crystallographic structures. Our results can be explained by separation of the two DNA strands on one side of the active site. These non-sequence-specific DNA-binding surfaces may aid local uracil search, contribute to binding the abasic DNA product and help present the DNA product to APE-1, the next enzyme on the DNA-repair pathway. PMID:22492624

  14. Ion temperatures in HIP-1 and SUMMA from charge-exchange neutral optical emission spectra

    NASA Technical Reports Server (NTRS)

    Patch, R. W.; Lauver, M. R.

    1976-01-01

    Ion temperatures were obtained from observations of the H sub alpha, D sub alpha, and He 587.6 nm lines emitted from hydrogen, deuterium, and helium plasmas in the SUMMA and HIP-1 mirror devices at Lewis Research Center. Steady state discharges were formed by applying a radially inward dc electric field between cylindrical or annular anodes and hollow cathodes located at the peaks of the mirrors. The ion temperatures were found from the Doppler broadening of the charge-exchange components of spectral lines. A statistical method was developed for obtaining scaling relations of ion temperature as a function of current, voltage, and magnetic flux density. Derivations are given that take into account triangular monochromator slit functions, loss cones, and superimposed charge-exchange processes. In addition, the Doppler broadening was found to be sensitive to the influence of drift on charge-exchange cross section. The effects of finite ion-cyclotron radius, cascading, and delayed emission are reviewed.

  15. Low energy of activation for amide hydrogen exchange reactions in proteins supports a local unfolding model.

    PubMed

    Thomsen, N K; Poulsen, F M

    1993-11-01

    Hydrogen exchange reactions of amides in hen egg white lysozyme that are pH dependent and have a low energy of activation have been shown to be in accordance with a reaction mechanism in two steps, an equilibrium step and an exchange step. These results are not in agreement with the model, proposed by C.K. Woodward & B.D. Hilton, known as the penetration model. Therefore our results suggest that this model should be revised. The amide hydrogen/deuterium exchange rates in hen egg white lysozyme were measured at 4 degrees C, 10 degrees C, 15 degrees C and 25 degrees C at pH 7.0 by 1H nuclear magnetic resonance spectroscopy. Activation energies of the exchange reactions in the range from 20 kJ mol-1 to 333 kJ mol-1 were obtained for 32 of the 129 residues in the protein. The amides of lysozyme studied here could be divided into two groups, one group of amides are characterized by an observed amide exchange rate (ko) in the range 10(-4) to 10(-6) s-1, an equilibrium constant k1/k2 close to 10(-5), a low energy of activation (20 to 50 kJ mol-1) and a distance less than 6 A from solvent. The other group of amides are characterized by a ko less than 10(-6) s-1, a k1/k2 close to 10(-7), higher energies of activation (40 to 330 kJ mol-1) and a distance more than 4 A from solvent. In terms of structure the amides of the last group are from the core of the protein. They are typically involved in a hydrogen bond and form part of the secondary structure either as interior alpha-helices or central strands of beta-sheets. The first group consists of amides that are in the shell of the protein between the core and the surface. These amides are typically hydrogen bonded and involved in secondary structure such as external alpha-helices or outer strands of beta-sheets and turns. PMID:8230202

  16. HDXFinder: Automated Analysis and Data Reporting of Deuterium/Hydrogen Exchange Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Miller, Danny E.; Prasannan, Charulata B.; Villar, Maria T.; Fenton, Aron W.; Artigues, Antonio

    2012-02-01

    Hydrogen/deuterium exchange in combination with mass spectrometry (H/D MS) is a sensitive technique for detection of changes in protein conformation and dynamics. However, wide application of H/D MS has been hindered, in part, by the lack of computational tools necessary for efficient analysis of the large data sets associated with this technique. We report a novel web-based application for automatic analysis of H/D MS experimental data. This application relies on the high resolution of mass spectrometers to extract all isotopic envelopes before correlating these envelopes with individual peptides. Although a fully automatic analysis is possible, a variety of graphical tools are included to aid in the verification of correlations and rankings of the isotopic peptide envelopes. As a demonstration, the rate constants for H/D exchange of peptides from rabbit muscle pyruvate kinase are mapped onto the structure of this protein.

  17. MAS NMR studies of carbon-13 spin exchange in durene.

    PubMed

    Reichert, D; Hempel, G; Poupko, R; Luz, Z; Olejniczak, Z; Tekely, P

    1998-12-01

    One- (1-D) and two-dimensional (2-D) carbon-13 NMR exchange measurements in powder samples of isotopically normal durene under magic angle spinning (MAS) are reported. The experiments include rotor synchronized 2-D exchange (RS2DE), 1-D magnetization transfer (MT) and time reverse ODESSA (tr-ODESSA). The latter two experiments were performed as a function of several external parameters, including proton decoupling field during mixing time, sample spinning rate and partly, of temperature. The effects of these parameters on the spin exchange induced by spin diffusion and by chemical, or physical exchange, is discussed. Spin exchange between all types of carbons in the durene molecules occurs on the time scale of seconds. From the dependence of the spin exchange rate on the external parameters it is concluded that the process is dominated by spin diffusion. On the basis of these results an upper limit of 10(-16) cm2 s(-1) can be set for the self-diffusion constant in crystalline durene. PMID:10023843

  18. NAO influence on net sea ice production and exchanges in the Arctic region: a numerical study

    E-print Network

    Hu, Aixue

    NAO influence on net sea ice production and exchanges in the Arctic region: a numerical study Aixue The variability of net sea ice production and sea ice exchange between the Arctic and its adjacent seas are studied, using a coupled sea ice-ocean general circulation model. The wind driven divergence (or ice flux

  19. 75 FR 77636 - Public Information Exchange on EPA Nanomaterial Case Studies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-13

    ...Public Information Exchange on EPA Nanomaterial Case Studies AGENCY: Environmental...Questions and To Provide Information on EPA Nanomaterial Case Studies and Their Purpose...receive comments and questions on the EPA Nanomaterial Case Studies...

  20. XAFS Studies of Silver Environments in Ion-Exchanged Glasses

    SciTech Connect

    Yang, X. C. [College of Materials Science and Engineering, Tongji University, Shanghai 200092 (China); Dubiel, M. [Department of Physics, Martin Luther University of Halle, D-06108 Halle (Germany)

    2007-02-02

    The X-ray absorption fine structure (XAFS) technique was used to analyze the structural geometry of Ag atoms introduced into soda-lime silicate glass and soda aluminosilicate glass by ion-exchange methods. The results show that Ag+ ions in aluminosilicate glass are coordinated by about two oxygens and the nearest-neighbor Ag-O distance increases when the Ag+-for-Na+ ion-exchange ratio is larger than 0.47. When the exchange ratio is low, the introduced Ag+ ions are stabilized at the non-bridge oxygen (NBO) site with a Ag-O distance of 2.20 A, and the Na+ ions in the AlO4 site are exchanged by Ag+ ions after full replacement of the NBO sites with a Ag-O distance of 2.28 A. The disorder of Ag-O coordination increases with increasing ion-exchange ratio in aluminosilicate glass where Ag+ ions are coordinated by NBO and bridge oxygen (BO)

  1. Chromatographic and mass spectral studies of perfluorooctanesulfonate and three perfluorooctanesulfonamides.

    PubMed

    Kuehl, D W; Rozynov, B

    2003-01-01

    The chromatographic and mass spectral characteristics of perfluorooctanesulfonate (PFOS) and three nitrogen-substituted perfluorooctanesulfonamides have been obtained. A methyl/phenyl mixed-phase fused-silica capillary column was used for gas chromatographic (GC) analyses, while a C18 reversed-phase microbore column was used for liquid chromatographic (LC) analyses. Mass (MS) and tandem mass (MS/MS) spectra were generated using electron ionization (EI), argon CE, methane positive and negative ion CI, and ES ionization modes. EI spectra of the amides showed ions characteristic of both the fluorinated hydrocarbon and the sulfonamide portion of the molecules. The fragmentation pathway was studied using hydrogen/deuterium exchange, and was thought to involve a cyclic intermediate ion. Formation of molecular ions by CE and protonated molecule ions by CI to obtain molecular weight information was only partially successful. Negative ion ES-MS spectra provided intense [M-H]- anions for the amides, and an [M-K]- anion for PFOS from which molecular weight information could be obtained, while ES-MS/MS produced product ions that could be used to detect the presence of these compounds in biological or environmental samples. PMID:14558140

  2. Solution and gas-phase H/D exchange of protein-small-molecule complexes: Cex and its inhibitors.

    PubMed

    Kang, Yang; Terrier, Peran; Ding, Chuanfan; Douglas, D J

    2012-01-01

    The properties of noncovalent complexes of the enzyme exo-1,4-?-D-glycanase ("Cex") with three aza-sugar inhibitors, deoxynojirimycin (X(2)DNJ), isofagomine lactam (X(2)IL), and isofagomine (X(2)IF), have been studied with solution and gas-phase hydrogen deuterium exchange (H/Dx) and measurements of collision cross sections of gas-phase ions. In solution, complexes have lower H/Dx levels than free Cex because binding the inhibitors blocks some sites from H/Dx and reduces fluctuations of the protein. In mass spectra of complexes, abundant Cex ions are seen, which mostly are formed by dissociation of complexes in the ion sampling interface. Both complex ions and Cex ions formed from a solution containing complexes have lower cross sections than Cex ions from a solution of Cex alone. This suggests the Cex ions formed by dissociation "remember" their solution conformations. For a given charge, ions of the complexes have greater gas-phase H/Dx levels than ions of Cex. Unlike cross sections, H/Dx levels of the complexes do not correlate with the relative gas-phase binding strengths measured by MS/MS. Cex ions from solutions with or without inhibitors, which have different cross sections, show the same H/Dx level after 15 s, indicating the ions may fold or unfold on the seconds time scale of the H/Dx experiment. Thus, cross sections show that complexes have more compact conformations than free protein ions on the time scale of ca. 1 ms. The gas-phase H/Dx measurements show that at least some complexes retain different conformations from the Cex ions on a time scale of seconds. PMID:22006406

  3. STRUCTURE OF THREE INTERVAL EXCHANGE TRANSFORMATIONS I : AN ARITHMETIC STUDY

    Microsoft Academic Search

    EBASTIEN FERENCZI; CHARLES HOLTON; LUCA Q. ZAMBONI

    2001-01-01

    In this paper we describe a 2-dimensional generalization of the Euclidean algorithm which stems from the dynamics of 3-interval exchange transformations. We investigate various diophantine properties of the algorithm including the quality of simultaneous approximations. We show it verifies the following Lagrange type theorem: the algorithm is eventually periodic if and only if the parameters lie in the same quadratic

  4. Forecasting of currency exchange rates using ANN: a case study

    Microsoft Academic Search

    Joarder Kamruzzaman; Ruhul A Sarker

    2003-01-01

    In today's global economy, accuracy in forecasting the foreign exchange rate or at least predicting the trend correctly is of crucial importance for any future investment. The use of computational intelligence based techniques for forecasting has been proved extremely successful in recent times. In this paper, we developed and investigated three artificial neural network (ANN) based forecasting model using standard

  5. Positional isotope exchange studies on enzyme using NMR spectroscopy

    SciTech Connect

    Matsunaga, T.O.

    1987-01-01

    The isotopically enriched compounds, /sup 18/O-..beta..,..gamma..-ATP and /sup 18/O bridge-labeled pyrophosphate, synthesized previously in this laboratory, were used to investigate and measure the exchange vs. turnover of substrates and products from their central complexes in four selected enzyme systems. Using hi-field /sup 31/P NMR, we were able to differentiate between /sup 18/O labeled in the bridge vs. the non-bridge positions by virtue of the isotope shift upon the phosphorus nuclei. The bridge to non-bridge scrambling of the label was quantitated and the exchange vs. turnover ratios under a variety of conditions was determined. Using the substrate inhibitor carboxycreatinine, PIX experiments with /sup 18/O-..beta..,..gamma..-ATP and creatine kinase were conducted. It was shown that carboxycreatinine and creatine kinase promoted exchange of the /sup 18/O label as determined by NMR. We have concluded that carboxycreatinine is either a substrate that catalyzes very slow turnover or it catalyzes exchange by a dissociative (SN/sub 1//sub P/) type of mechanism

  6. NMR studies of proton exchange kinetics in aqueous formaldehyde solutions.

    PubMed

    Rivlin, Michal; Eliav, Uzi; Navon, Gil

    2014-05-01

    Aqueous solutions of formaldehyde, formalin, are commonly used for tissue fixation and preservation. Treatment with formalin is known to shorten the tissue transverse relaxation time T2. Part of this shortening is due to the effect of formalin on the water T2. In the present work we show that the shortening of water T2 is a result of proton exchange between water and the major constituent of aqueous solutions of formaldehyde, methylene glycol. We report the observation of the signal of the hydroxyl protons of methylene glycol at 2ppm to high frequency of the water signal that can be seen at low temperatures and at pH range of 6.0±1.5 and, at conditions where it cannot be observed by the single pulse experiment, it can be detected indirectly through the water signal by the chemical exchange saturation transfer (CEST) experiment. The above finding made it possible to obtain the exchange rate between the hydroxyl protons of the methylene glycol and water in aqueous formaldehyde solutions, either using the dispersion of the spin-lattice relaxation rate in the rotating frame (1/T1?) or, at the slow exchange regime, from the line width hydroxyl protons of methylene glycol. The exchange rate was ?10(4)s(-1) at pH 7.4 and 37°C, the activation energy, 50.2kJ/mol and its pH dependence at 1.1°C was fitted to: k (s(-1))=520+6.5×10(7)[H(+)]+3.0×10(9)[OH(-)]. PMID:24632100

  7. NMR studies of proton exchange kinetics in aqueous formaldehyde solutions

    NASA Astrophysics Data System (ADS)

    Rivlin, Michal; Eliav, Uzi; Navon, Gil

    2014-05-01

    Aqueous solutions of formaldehyde, formalin, are commonly used for tissue fixation and preservation. Treatment with formalin is known to shorten the tissue transverse relaxation time T2. Part of this shortening is due to the effect of formalin on the water T2. In the present work we show that the shortening of water T2 is a result of proton exchange between water and the major constituent of aqueous solutions of formaldehyde, methylene glycol. We report the observation of the signal of the hydroxyl protons of methylene glycol at 2 ppm to high frequency of the water signal that can be seen at low temperatures and at pH range of 6.0 ± 1.5 and, at conditions where it cannot be observed by the single pulse experiment, it can be detected indirectly through the water signal by the chemical exchange saturation transfer (CEST) experiment. The above finding made it possible to obtain the exchange rate between the hydroxyl protons of the methylene glycol and water in aqueous formaldehyde solutions, either using the dispersion of the spin-lattice relaxation rate in the rotating frame (1/T1?) or, at the slow exchange regime, from the line width hydroxyl protons of methylene glycol. The exchange rate was ?104 s-1 at pH 7.4 and 37 °C, the activation energy, 50.2 kJ/mol and its pH dependence at 1.1 °C was fitted to: k (s-1) = 520 + 6.5 × 107[H+] + 3.0 × 109[OH-].

  8. Study of heat exchange during interaction between an electric arc and a longitudinal gas flow

    Microsoft Academic Search

    A. I. Ivliutin; Iu. V. Kurochkin; E. I. Molodykh; A. V. Pustogarov; M. N. Supronenko

    1975-01-01

    An experimental investigation was made of the local heat exchange in a gas flow in a cylindrical electric-arc channel which is insulated from the electrodes. Argon and helium flows were studied, with Reynolds numbers ranging from 50 to 9000. It was found that the nature of the heat exchange in the stabilized arc channel with Re less than 300-500 is

  9. Microstructural studies of glass-metal composites produced by ion-exchange and hydrogen treatments

    Microsoft Academic Search

    D. Chakravorty; A. Shuttleworth; P. H. Gaskell

    1975-01-01

    Detailed electron micrographic studies have been carried out on float glass surface subjected to sodium ? copper ion-exchange in molten salts followed by a reduction treatment in hydrogen. Spherical copper particles of diameters ranging from 50 to 300 å are formed in the glass matrix depending on the ion-exchange and reduction temperatures. The nucleus density of these particles is maximum

  10. DETERMINATION OF THE EFFICIENCY OF AN ION EXCHANGE SYSTEM IN SEPARATING THE LITHIUM ISOTOPES (PRELIMINARY STUDY)

    Microsoft Academic Search

    R. E. Blanco; A. H. Kibbey; J. T. Roberts

    1954-01-01

    The lithium isotopic separation factors for the ion exchange systems ; studied appear to be quite low, of the magnitude of 1.003. Any possible effects ; on the separation factor attributable to concentration or the presence of ; complexing agents were within the limits of experimental error. The HTU for ; lithium ion exchange is low, i.e., a fraction of

  11. Content consumption and exchange among college students: a case study from India

    Microsoft Academic Search

    Sarita Seshagiri

    2009-01-01

    This paper presents the results of our qualitative and exploratory study on content consumption and exchange among college students in the city of Bangalore in Karnataka, India. The purpose was to learn what specific content, like music or audio, video or movies, text, voice and pictures was consumed and exchanged among college students and also what influenced it. It was

  12. Hydrogen exchange studies of protein structure Tanya M Raschke and Susan Marqusee*

    E-print Network

    Raschke, Tanya M.

    80 Hydrogen exchange studies of protein structure Tanya M Raschke and Susan Marqusee* Hydrogen partially folded ensembles present at equilibrium. Analysis of hydrogen exchange mechanisms has revealed intrinsicexchangerate kobs observedexchangerate NH amide hydrogen AGHx free energy of the opening reaction Introduction

  13. Experimental studies of the transfer phenomena of tritium in an isotope exchange column for recovery tritium

    E-print Network

    Experimental studies of the transfer phenomena of tritium in an isotope exchange column for recovery tritium Anisia Bornea, Ion Cristescu, Marius Zamfirache, Carmen Varlam National Institute of R processes for tritium separation, is the catalyst isotope exchange water-hydrogen. The main problem

  14. Gas exchange strategy in the Nile crocodile: a morphometric study

    Microsoft Academic Search

    S. F. Perry

    1990-01-01

    The respiratory surface area (SAR) per kilogram body mass (MB), the harmonic mean thickness of the air-blood barrier (thtR) in the gas exchange tissue, and the anatomical diffusion factor (ADF=SAR\\/thtR per MB) were calculated for four juvenile Nile crocodiles. The ADF of three small specimens (mean MB=3.59 kg) was 625 cm2·µm-1·kg-1. The values varied considerably among individuals and were similar

  15. The use of stable isotopes to study ecosystem gas exchange

    Microsoft Academic Search

    D. Yakir; L. da S. L. Sternberg

    2000-01-01

    Stable isotopes are a powerful research tool in environmental sciences and their use in ecosystem research is increasing.\\u000a In this review we introduce and discuss the relevant details underlying the use of carbon and oxygen isotopic compositions\\u000a in ecosystem gas exchange research. The current use and potential developments of stable isotope measurements together with\\u000a concentration and flux measurements of CO2

  16. SIMS study of deuterium distribution in chemically charged aluminum containing oxide layer defects and trapping sites

    Microsoft Academic Search

    P. Rozenak; B. Ladna; H. K. Birnbaum

    2006-01-01

    Hydrogen (deuterium) distribution that occurred during electrochemical and chemical charging in a high purity single aluminum crystal (grown in [110] direction) was studied, using Secondary Ion Mass Spectrometry (SIMS). Deuterium distribution was measured for specimens that were electrochemically charged in H2SO4 solutions or chemically charged in NaOH solutions, for various charging times at room and higher temperatures. The effect of

  17. Study of Gas and Plasma Conditions in the High Isp VASIMR Thruster

    Microsoft Academic Search

    O. Batishchev; K. Molvig

    2002-01-01

    Internal electrode-free VASIMR thruster [1-3] consists of three major sections: plasma production, plasma heating, and plasma exhaust. In our previous works [6-10] we have performed an extensive study of plasma dynamics in the plasma source. We have developed several models of helicon plasma discharge utilizing hydrogen (deuterium) gas, and analyzed its performance in the experimental set-up [4-5]. In the present

  18. Epitope mapping of antibodies by mass spectroscopy: a case study.

    PubMed

    Obungu, Victor H; Gelfanova, Valentina; Huang, Lihua

    2013-01-01

    Epitope mapping of antibodies is the identification and characterization of binding sites of monoclonal antibodies (mAbs) on target antigens. This knowledge can be useful in generating novel antibodies to a particular target as well as elucidating an antibody mechanism of action. Several techniques are available to identify antibody epitopes among which are preliminary and simple ones like sequence homology analysis ELISA and Western blotting. However, the more widely used robust methods typically involve the use of mass spectrometry to fully analyze and interpret the data and accurately identify the binding site. Such methods include epitope extortion/excision, hydrogen deuterium exchange. PMID:23475727

  19. Cultural implications of scientific exchanges by USA visitors to mainland China: a case study 

    E-print Network

    Lu, Wei

    1989-01-01

    China Teachers' University, China Chairman of Advisory Committee: Dr. Leslie M. Reid The study was concerned with the cultural, social and psychological aspects of scientific exchanges to China undertaken by American visitors. A good deal of both...

  20. Continuation of Studies on Development of ODS Heat Exchanger Tubing

    SciTech Connect

    Lawrence Brown; David Workman; Bimal Kad; Gaylord Smith; Archie Robertson; Ian Wright

    2008-04-15

    The Department of Energy (DOE), National Energy Technology Center (NETL), has initiated a strategic plan for the development of advanced technologies needed to design and build fossil fuel plants with very high efficiency and environmental performance. These plants, referred to as 'Vision 21' and FutureGen programs by DOE, will produce electricity, chemicals, fuels, or a combination of these products, and possibly secondary products such as steam/heat for industrial use. MA956 is a prime candidate material being considered for a high temperature heat exchanger in the 'Vision 21' and FutureGen programs. This material is an oxide dispersion strengthened (ODS) alloy; however, there are some gaps in the data required to commit to the use of these alloys in a full-size plant. To fill the technology gaps for commercial production and use of the material for 'Advanced Power Generation Systems' this project has performed development activity to significant increase in circumferential strength of MA956 as compared to currently available material, investigated bonding technologies for bonding tube-to-tube joints through joining development, and performed tensile, creep and fire-side corrosion tests to validate the use and fabrication processes of MA956 to heat exchanger tubing applications. Development activities within this projected has demonstrated increased circumferential strength of MA956 tubes through flow form processing. Of the six fabrication technologies for bonding tube-to-tube joints, inertia friction welding (IFW) and flash butt welding (FBW) were identified as processes for joining MA956 tubes. Tensile, creep, and fire-side corrosion test data were generated for both base metal and weld joints. The data can be used for design of future systems employing MA956. Based upon the positive development activities, two test probes were designed and fabricated for field exposure testing at 1204 C ({approx}2200 F) flue gas. The probes contained tube portions with FBW and IFW welded MA956. Field testing of the probes and remaining heat exchanger design activity will be performed by Oak Ridge National Laboratory under DOE Contract DE-AC05-00OR22725.

  1. Two-Photon Exchange Effect Studied with Neural Networks

    E-print Network

    Krzysztof M. Graczyk

    2011-08-30

    An approach to the extraction of the two-photon exchange (TPE) correction from elastic $ep$ scattering data is presented. The cross section, polarization transfer (PT), and charge asymmetry data are considered. It is assumed that the TPE correction to the PT data is negligible. The form factors and TPE correcting term are given by one multidimensional function approximated by the feed forward neural network (NN). To find a model-independent approximation the Bayesian framework for the NNs is adapted. A large number of different parametrizations is considered. The most optimal model is indicated by the Bayesian algorithm. The obtained fit of the TPE correction behaves linearly in epsilon but it has a nontrivial Q2 dependence. A strong dependence of the TPE fit on the choice of parametrization is observed.

  2. Two-photon exchange effect studied with neural networks

    SciTech Connect

    Graczyk, Krzysztof M. [Institute of Theoretical Physics, University of Wroclaw, pl. M. Borna 9, PL-50-204 Wroclaw (Poland)

    2011-09-15

    An approach to the extraction of the two-photon exchange (TPE) correction from elastic ep scattering data is presented. The cross-section, polarization transfer (PT), and charge asymmetry data are considered. It is assumed that the TPE correction to the PT data is negligible. The form factors and TPE correcting term are given by one multidimensional function approximated by the feedforward neural network (NN). To find a model-independent approximation, the Bayesian framework for the NNs is adapted. A large number of different parametrizations is considered. The most optimal model is indicated by the Bayesian algorithm. The obtained fit of the TPE correction behaves linearly in {epsilon} but it has a nontrivial Q{sup 2} dependence. A strong dependence of the TPE fit on the choice of parametrization is observed.

  3. Patients’ Attitudes Toward Electronic Health Information Exchange: Qualitative Study

    PubMed Central

    Evans, J Stewart; Benjamin, Alison; Delano, David; Bates, David W

    2009-01-01

    Background In many countries, there has been substantial progress in establishing the electronic transmission of patients’ health information between health care providers, but little is known about how best to engage patients in the process. Objective We explored patients’ views about sharing of electronic health information and their preferences for learning about and participating in this process. Methods Patients in one Massachusetts community in the northeastern United States were recruited to participate in focus-group discussions. Prior to discussion, participants completed a written questionnaire that captured their reactions to draft educational materials and a consent form. The discussion moderator and two physicians analyzed the moderator’s detailed notes from each session and participants’ written comments, using an immersion-crystallization approach. Results Three dominant themes emerged: (1) concerns about privacy and security, (2) the potential benefit to a person’s health, and (3) the desire for more information about the consent process. On the pre-discussion questionnaire, 55 out of 62 participants (88%) indicated that they would provide consent for their information to be shared electronically among their health care providers, given the materials they had reviewed. Conclusions Patients are enthusiastic about electronic health information exchange, recognizing its capacity to improve the quality and safety of health care; however, they are also concerned about its potential to result in breached privacy and misuse of health data. As the exchange of electronic health information becomes more widespread, policy makers will need to ensure that patients have access to concise educational materials and opportunities to engage in conversations about the risks and benefits of participation. PMID:19674960

  4. Advances and challenges in analytical characterization of biotechnology products: mass spectrometry-based approaches to study properties and behavior of protein therapeutics

    PubMed Central

    Kaltashov, Igor A.; Bobst, Cedric E.; Abzalimov, Rinat R.; Wang, Guanbo; Baykal, Burcu; Wang, Shunhai

    2011-01-01

    Biopharmaceuticals are a unique class of medicines due to their extreme structural complexity. The structure of these therapeutic proteins is critically important for their efficacy and safety, and the ability to characterize it at various levels (from sequence to conformation) is critical not only at the quality control stage, but also throughout the discovery and design stages. Biological mass spectrometry (MS) offers a variety of approaches to study structure and behavior of complex protein drugs and has already become a default tool for characterizing the covalent structure of protein therapeutics, including sequence and post-translational modifications. Recently, MS-based methods have also begun enjoying a dramatic growth in popularity as a means to provide information on higher order structure and dynamics of biotechnology products. In particular, hydrogen/deuterium exchange MS and charge state distribution analysis of protein ions in electrospray ionization (ESI)MS offer a convenient way to assess the integrity of protein conformation. Native ESI MS also allows the interactions of protein drugs with their therapeutic targets and other physiological partners to be monitored using simple model systems. MS-based methods are also applied to study pharmacokinetics of biopharmaceutical products, where they begin to rival traditional immunoassays. MS already provides valuable support to all stages of development of biopharmaceuticals, from discovery to post-approval monitoring, and its impact on the field of biopharmaceutical analysis will undoubtedly continue to grow. PMID:21619926

  5. Thermal annealing study of exchange-biased NiFe-FeMn films

    Microsoft Academic Search

    Michael F. Toney; Ching Tsang; J. Kent Howard

    1991-01-01

    We have studied the effects of thermal annealing (between 240 and 270 °C) on the magnetic and interface properties of exchange-biased NiFe\\/FeMn thin film couples. With moderate annealing, there is a change in the temperature-dependence of the exchange-bias from an initial, linear shape to a convex shape, which better approximates the asymptotic behavior set by the temperature dependence of the

  6. Coming to Canada to Study: Factors that Influence Student's Decisions to Participate in International Exchange

    ERIC Educational Resources Information Center

    Massey, Jennifer; Burrow, Jeff

    2012-01-01

    Increasing numbers of students are participating in study abroad programs. Outcomes associated with these programs have been studied extensively, but relatively little is known about what motivates and influences students to participate. This study investigated factors that motivate and influence students to study on exchange and explored how…

  7. New data on Cu-exchanged phillipsite: a multi-methodological study

    NASA Astrophysics Data System (ADS)

    Gatta, G. Diego; Cappelletti, Piergiulio; de'Gennaro, Bruno; Rotiroti, Nicola; Langella, Alessio

    2015-05-01

    The cation exchange capacity of a natural phillipsite-rich sample from the Neapolitan Yellow Tuff, Southern Italy (treated in order to obtain a 95 wt% zeolite-rich sample composed mainly of phillipsite and minor chabazite) for Cu was evaluated using the batch exchange method. The sample had previously been exchanged into its monocationic form (Na), and then used for the equilibrium studies of the exchange reaction 2Na+ ? Cu2+. Reversibility ion exchange tests were performed. The isotherm displays an evident hysteresis loop. Interestingly, the final Cu-exchanged polycrystalline material was green-bluish. Natural, Na- and Cu-exchanged forms were analyzed by X-ray powder diffraction, and the Cu-phillipsite was also investigated by transmission electron microscopy (TEM). Structure refinement of Cu-phillipsite was performed by the Rietveld method using synchrotron data, and it indicates a small, but significant, fraction of Cu sharing with Na two-three independent extra-framework sites. The TEM experiment shows sub-spherical nano-clusters of crystalline species (with average size of 5 nm) lying on the surfaces of zeolite crystals or dispersed in the amorphous fraction, with electron diffraction patterns corresponding to those of CuO (tenorite-like structure) and Cu(OH)2 (spertiniite-like structure). X-ray and TEM investigations show that Cu is mainly concentrated in different species (crystalline or amorphous) within the sample, not only in phillipsite. The experimental findings based on X-ray and TEM investigations, along with the hysteresis loop of the ion exchange tests, are discussed and some general considerations about the mechanisms of exchange reactions involving divalent cations with high hydration energy are provided.

  8. Solvent Influenced Fluxionality Studied by Ultrafast Chemical Exchange Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ross, Matthew; Kubarych, Kevin

    2012-02-01

    Two-dimensional infrared spectroscopy (2DIR) allows unprecedentedly detailed understanding of the dynamics of chemical systems in the condensed phase. Carbonyl vibrations of small transition metal complexes report intramolecular dynamics and solvent-solute interactions due to their strong oscillator strengths and moderate environmental sensitivity. We studed the fluxional dynamics of iron pentacarbonyl (Fe(CO)5), which is unique in that it contains nearly perfectly uncoupled vibrational modes. We seek to probe the ``molecularity'' of condensed phase activated barrier crossings beyond the continuum Kramers theory picture. Using 2DIR chemical exchange spectroscopy, we show how the dynamics of Berry pseudorotation, the only significant mechanism for vibrational mode mixing on our experimental timescale, is sensitive to interactions with the environment. In a wide range of solvents, we have investigated the effects of hydrogen bonding with alcohols and friction from high viscosity alkanes. In addition, we have monitored vibrational energy redistribution as a solvation shell probe. Moreover, recently implemented mid-infrared pulse shaper based methods allow increased flexibility in experimental design, enabling experimental techniques that are not possible using passive optics.

  9. Brillouin light scattering study of spin waves in NiFe/Co exchange spring bilayer films

    SciTech Connect

    Haldar, Arabinda; Banerjee, Chandrima; Laha, Pinaki; Barman, Anjan, E-mail: abarman@bose.res.in [Thematic Unit of Excellence on Nanodevice Technology, Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Kolkata 700098 (India)

    2014-04-07

    Spin waves are investigated in Permalloy(Ni{sub 80}Fe{sub 20})/Cobalt(Co) exchange spring bilayer thin films using Brillouin light scattering (BLS) experiment. The magnetic hysteresis loops measured by magneto-optical Kerr effect show a monotonic decrease in coercivity of the bilayer films with increasing Py thickness. BLS study shows two distinct modes, which are modelled as Damon-Eshbach and perpendicular standing wave modes. Linewidths of the frequency peaks are found to increase significantly with decreasing Py layer thickness. Interfacial roughness causes to fluctuate exchange coupling at the nanoscale regimes and the effect is stronger for thinner Py films. A quantitative analysis of the magnon linewidths shows the presence of strong local exchange coupling field which is much larger compared to macroscopic exchange field.

  10. Brillouin light scattering study of spin waves in NiFe/Co exchange spring bilayer films

    NASA Astrophysics Data System (ADS)

    Haldar, Arabinda; Banerjee, Chandrima; Laha, Pinaki; Barman, Anjan

    2014-04-01

    Spin waves are investigated in Permalloy(Ni80Fe20)/Cobalt(Co) exchange spring bilayer thin films using Brillouin light scattering (BLS) experiment. The magnetic hysteresis loops measured by magneto-optical Kerr effect show a monotonic decrease in coercivity of the bilayer films with increasing Py thickness. BLS study shows two distinct modes, which are modelled as Damon-Eshbach and perpendicular standing wave modes. Linewidths of the frequency peaks are found to increase significantly with decreasing Py layer thickness. Interfacial roughness causes to fluctuate exchange coupling at the nanoscale regimes and the effect is stronger for thinner Py films. A quantitative analysis of the magnon linewidths shows the presence of strong local exchange coupling field which is much larger compared to macroscopic exchange field.

  11. Experimental studies on pressure drop characteristics of cryogenic cross-counter flow coiled finned tube heat exchangers

    Microsoft Academic Search

    Prabhat Kumar Gupta; P. K. Kush; Ashesh Tiwari

    2010-01-01

    Cross-counter flow coiled finned tube heat exchangers used in medium capacity helium liquefiers\\/refrigerators were developed in our lab. These heat exchangers were developed using integrated low finned tubes. Experimental studies have been performed to know the pressure drop characteristics of tube side and shell side flow of these heat exchangers. All experiments were performed at room temperature in the Reynolds

  12. FUNDAMENTAL STUDIES ON THE ION EXCHANGE SEPARATION OF ISOTOPES. IV. SEPARATION FACTOR OF LITHIUM ISOTOPES USING ION EXCHANGER

    Microsoft Academic Search

    H. Kakihana; T. Nomura; Y. Mori

    1961-01-01

    The ion exchange separatuon factors of lithium isotopes in LiCl and LiOH ; solutions were determined with differently cross-linked sulfonated styrene-; divinylbenzene copolymers and a synthetic inorganic ion exchanger, lonite C, ; (zurconuum phosphate type). The isotopic ratios of lithuum were measured by a ; mass spectrometer using the thermionic method. The highest separation factor, ; l.022, was obtained for

  13. A time-resolved study on the interaction of oppositely charged bicelles--implications on the charged lipid exchange kinetics.

    PubMed

    Yang, Po-Wei; Lin, Tsang-Lang; Hu, Yuan; Jeng, U-Ser

    2015-03-21

    Time-resolved small-angle X-ray scattering was applied to study charged lipid exchange between oppositely charged disc-shaped bicelles. The exchange of charged lipids gradually reduces the surface charge density and weakens the electrostatic attraction between the oppositely charged bicelles which form alternately stacked aggregates upon mixing. Initially, at a high surface charge density with almost no free water layer between the stacked bicelles, fast exchange kinetics dominate the exchange process. At a later stage with a lower surface charge density and a larger water gap between the stacked bicelles, slow exchange kinetics take over. The fast exchange kinetics are correlated with the close contact of the bicelles when there is almost no free water layer between the tightly bound bicelles with a charged lipid exchange time constant as short as 20-40 min. When the water gap becomes large enough to have a free water layer between the stacked bicelles, the fast lipid exchange kinetics are taken over by slow lipid exchange kinetics with time constants around 200-300 min, which are comparable to the typical time constant of lipid exchange between vesicles in aqueous solution. These two kinds of exchange mode fit well with the lipid exchange models of transient hemifusion for the fast mode and monomer exchange for the slow mode. PMID:25649711

  14. Russian studies of the safety of anion exchange in nitric acid

    SciTech Connect

    Hyder, M.L.; Bartenev, S.A.; Lazarev, L.N. [and others

    1997-07-01

    Synthetic ion exchange resins came into use in the Soviet Union in the 1950`s, and domestic anion exchange resins based on quaternary amine groups have long been used in the Russian nuclear industry. These resins are similar to resins used in the West, and include pyridine-based resins, as well as the more conventional aryl polymers with substituted methyl amines. (Slide 1) The sensitivity of these amines to reaction with nitric acid and other oxidants has been a concern in Russia as in the West, and numerous laboratory studies have been conducted on the reactions involved. Several incidents involving pressure or temperature excursions have provided incentives for such studies. (Slide 2) This report briefly summarizes this work. A report by the Russian authors of this paper providing greater detail is to be issued as a U.S. Dept. of Energy document. Additionally, a second report by these authors, describing new studies on anion exchange resin safety, will also be issued as a DOE report. The separation of plutonium, neptunium, etc. from other materials by ion exchange requires rather strong nitric acid (6-8 M). In some systems, such as the processing of {sup 238}Pu, intense ionizing radiation may also be present during ion exchange separation. As a result, it is necessary to consider not only thermal hydrolysis and oxidation and their effects on the resin, but also radiolysis. All of these were investigated in the Russian studies.

  15. Computational Studies of Water Exchange around Aqueous Li+ with Polarizable Potential Models

    SciTech Connect

    Dang, Liem X.; Annapureddy, Harsha V.

    2013-08-28

    To enhance our understanding of the mechanism of water-exchange around the aqueous Li+, we carried out a systematic study on this system using molecular dynamics simulations with many-body potential models. The mechanistic properties associated with the water-exchange process, such as potentials of mean force, time dependent transmission coefficients, and the corresponding rate constants, were examined using transition rate theory, the reactive flux method, and Grote-Hynes treatments of the dynamic response of the solvent. We compared the computed rate theory results with the results from previous corresponding studies in which classical non-polarizable force fields were used. Our computed barrier heights for water exchange are significantly larger than those obtained using classical non-polarizable force fields. We also studied the effect of pressure on water-exchange rates and the corresponding activation volume. Our computed rate results for water exchange increase with pressure; therefore, a small negative activation volume is observed. This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE). Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.

  16. HK97 Maturation Studied by Crystallography and H/2 Exchange Reveals the Structural Basis for Exothermic

    E-print Network

    Komives, Elizabeth A.

    HK97 Maturation Studied by Crystallography and H/2 H Exchange Reveals the Structural Basis is an exceptionally amenable system for characterizing major conformational changes associated with capsid maturation of the mature capsid Head II and cryo-electron microscopy studies of other intermediate expansion forms of HK97

  17. Hydrodynamics and hydraulics of exchange flows in the long sea straits: Turkish Straits case study

    NASA Astrophysics Data System (ADS)

    Kanarska, Yu.; Maderich, V.; Zervakis, V.

    2003-04-01

    Exchange flows in which fluids of differing densities move in opposing directions through a channel are of interest in geophysical hydrodynamics. The flows in the Gibraltar Strait, the Bosphorus and the Dardanelles are well-known examples. In this paper, we consider the exchange dynamics in long straits focusing on the role of strait topography, friction, mixing and non-hydrostatic effects. A two-layer hydraulic model with friction (Maderich, 2002) as well as a 3D nonhydrostatic model (Kanarska and Maderich, 2002) are applied to the problem. The latter model is a non-hydrostatic extension of the free-surface primitive equation POM model. A mode splitting technique, using decomposition of pressure and velocity fields into hydrostatic and non-hydrostatic components and sequential calculation of these components are the bases of numerical algorithm of the model. Both models are tested against laboratory experiments by Maderich (2000) on exchange flow through a long and narrow strait with sill or contraction and are applied to the modelling of water exchange through the Turkish straits. The hydraulic model, coupled with 1D models of adjacent seas, was used for the simulation of the exchange between the Black and Aegean seas in 1970-1999. The circulation in the Strait of Dardanelles for summer period is investigated by the 3D model to clarify the role of mixing in the exchange. The calculated 3D fields of currents, density, turbulence intensity and dissipation showed effects of intensive mixing at the zone of the Nara Passage. Contrary to previous studies the composite Froude number remains subcritical throughout the whole strait. It is concluded that mixing can play a crucial role in limiting the exchange through the Dardanelles at least in some periods of the year. More detailed future field studies and simulations are necessary to understand processes in the Nara Passage area.

  18. Heat Exchanger Design Options and Tritium Transport Study for the VHTR System

    SciTech Connect

    Chang H. Oh; Eung S. Kim

    2008-09-01

    This report presents the results of a study conducted to consider heat exchanger options and tritium transport in a very high temperature reactor (VHTR) system for the Next Generation Nuclear Plant Project. The heat exchanger options include types, arrangements, channel patterns in printed circuit heat exchangers (PCHE), coolant flow direction, and pipe configuration in shell-and-tube designs. Study considerations include: three types of heat exchanger designs (PCHE, shell-and-tube, and helical coil); single- and two-stage unit arrangements; counter-current and cross flow configurations; and straight pipes and U-tube designs in shell-and-tube type heat exchangers. Thermal designs and simple stress analyses were performed to estimate the heat exchanger options, and the Finite Element Method was applied for more detailed calculations, especially for PCHE designs. Results of the options study show that the PCHE design has the smallest volume and heat transfer area, resulting in the least tritium permeation and greatest cost savings. It is theoretically the most reliable mechanically, leading to a longer lifetime. The two-stage heat exchanger arrangement appears to be safer and more cost effective. The recommended separation temperature between first and second stages in a serial configuration is 800oC, at which the high temperature unit is about one-half the size of the total heat exchanger core volume. Based on simplified stress analyses, the high temperature unit will need to be replaced two or three times during the plant’s lifetime. Stress analysis results recommend the off-set channel pattern configuration for the PCHE because stress reduction was estimated at up to 50% in this configuration, resulting in a longer lifetime. The tritium transport study resulted in the development of a tritium behavior analysis code using the MATLAB Simulink code. In parallel, the THYTAN code, previously performed by Ohashi and Sherman (2007) on the Peach Bottom data, was revived and verified. The 600 MWt VHTR core input file developed in preparation for the transient tritium analysis of VHTR systems was replaced with the original steady-state inputs for future calculations. A Finite Element Method analysis was performed using COMSOL Multiphysics software to accurately predict tritium permeation through the PCHE type heat exchanger walls. This effort was able to estimate the effective thickness for tritium permeations and develop a correlation for general channel configurations, which found the effective thickness to be much shorter than the average channel distance because of dead spots on the channel side.

  19. Hydrogen exchange mass spectrometry of bacteriorhodopsin reveals light-induced changes in the structural dynamics of a biomolecular machine.

    PubMed

    Pan, Yan; Brown, Leonid; Konermann, Lars

    2011-12-21

    Many proteins act as molecular machines that are fuelled by a nonthermal energy source. Examples include transmembrane pumps and stator-rotor complexes. These systems undergo cyclic motions (CMs) that are being driven along a well-defined conformational trajectory. Superimposed on these CMs are thermal fluctuations (TFs) that are coupled to stochastic motions of the solvent. Here we explore whether the TFs of a molecular machine are affected by the occurrence of CMs. Bacteriorhodopsin (BR) is a light-driven proton pump that serves as a model system in this study. The function of BR is based on a photocycle that involves trans/cis isomerization of a retinal chromophore, as well as motions of transmembrane helices. Hydrogen/deuterium exchange (HDX) mass spectrometry was used to monitor the TFs of BR, focusing on the monomeric form of the protein. Comparative HDX studies were conducted under illumination and in the dark. The HDX kinetics of BR are dramatically accelerated in the presence of light. The isotope exchange rates and the number of backbone amides involved in EX2 opening transitions increase roughly 2-fold upon illumination. In contrast, light/dark control experiments on retinal-free protein produced no discernible differences. It can be concluded that the extent of TFs in BR strongly depends on photon-driven CMs. The light-induced differences in HDX behavior are ascribed to protein destabilization. Specifically, the thermodynamic stability of the dark-adapted protein is estimated to be 5.5 kJ mol(-1) under the conditions of our work. This value represents the free energy difference between the folded state F and a significantly unfolded conformer U. Illumination reduces the stability of F by 2.2 kJ mol(-1). Mechanical agitation caused by isomerization of the chromophore is transferred to the surrounding protein scaffold, and subsequently, the energy dissipates into the solvent. Light-induced retinal motions therefore act analogously to an internal heat source that promotes the occurrence of TFs. Overall, our data highlight the potential of HDX methods for probing the structural dynamics of molecular machines under "engine on" and "engine off" conditions. PMID:22043856

  20. Hydrogen isotope exchange experiments with Mt Mazama ash

    NASA Astrophysics Data System (ADS)

    Nolan, G. S.; Bindeman, I. N.; Palandri, J. L.

    2011-12-01

    The 2H/H ratio in hydrous minerals and volcanic glass are routinely used as paleo proxies to infer ?2H value of meteoric waters and thus paleo-climate conditions. There is a widely held assumption that once environmental water is taken up by the ash to ~3-4 wt%, hydrogen isotopes preserve original hydrologic environmental conditions through time. We report a series of 2H -H aqueous exposure experiments of 7600BP Mt Mazama ash from the Crater Lake eruption. Native Mt. Mazama ash, ~69% SiO2 contains ~3.75% H2O with ?2H -145 %. Water exposure experiments for this ash were done at 70, 40 and 25°C, time from 0 to >7000 h, to evaluate rates of hydrogen uptake from deuterated waters (650 % to pure D2O). Measurements were performed on 1-2 mg of ash using TCEA-MAT253 GSMS. We also employ a KBr pellet technique with infrared spectroscopy to measure total water and molecular water peaks. In this fashion an estimation of the distribution of water vs. SiOH is possible. Time series experiments aided by infrared measurements demonstrate the following new results: 1) Depending on exposure time and temperature we observe 5 to >100 % 2H uptake in dried samples positively correlated with temperature. In as little as 48 hours approximately 5% ?2H increases are seen in samples incubated at 70 °C with 650 % water. At this rate the ash at 70 °C would take ~2.9 years to fully react with 2H. Other separate samples reacted with pure D2O develop a clear infrared signal at ~ 2600 cm-1 due to OD bond stretching. 2) Step heating experiments on native ash indicate the ?2H of the remaining water does not change until the ash is heated to past 200-220 °C. 3) A sample immersed in 650 % ?2H water for >300 days at 70 °C degassed and sampled at increasing temperature intervals as above shows an enrichment ranging from 250 % at no water lost to 20 % at .10 % water when compared to native ash. 4) Ash dried under vacuum at ~130 °C shows mostly (~80%) loss of molecular water accompanied by minor (~20%) hydroxyl loss. 5) Native ash dried to <3% water and ~-145% ?2H), and reacted with the 650 % prepared water evinces a much higher rate of 2H incorporation compared to rates with the native ash under all the same conditions. Given linearity of ?2H exchange through time and modeling the reaction as (pseudo) first order in concentration of deuterium yields the following isotopic half life values: for 70° C 1.43 years, for 40° C 4.1 years, and for 25 °C 12.1 years. An Arrhenius treatment yields an activation energy of 32-38 kjoules. 6) A second order kinetic treatment can be used to follow the reaction. A calculation using the reaction constant k at 25 °C assuming native ash exposed to -60 % ?2H water indicates it would take 2 years to rise from a starting value of -150 to approximately -100 % ?2H. Results of these experiments put quantitative limits on reliability of ?2H in ash in paleo-climate studies that are primarily controlled by the isotopic environments and temperatures. We hypothesize that hydrogen-deuterium exchange occurs in native ash exposed to isotopically labeled water. The effect is mediated through surface correlated water in addition to diffusion with both having a rate determining effect. There is nothing to suggest that deuterium-hydrogen exchange is selective for molecular or SiOH hydrogen in the ash.

  1. A review of studies on ion thruster beam and charge-exchange plasmas

    NASA Technical Reports Server (NTRS)

    Carruth, M. R., Jr.

    1982-01-01

    Various experimental and analytical studies of the primary beam and charge-exchange plasmas of ion thrusters are reviewed. The history of plasma beam research is recounted, emphasizing experiments on beam neutralization, expansion of the beam, and determination of beam parameters such as electron temperature, plasma density, and plasma potential. The development of modern electron bombardment ion thrusters is treated, detailing experimental results. Studies on charge-exchange plasma are discussed, showing results such as the relationship between neutralizer emission current and plasma beam potential, ion energies as a function of neutralizer bias, charge-exchange ion current collected by an axially moving Faraday cup-RPA for 8-cm and 30-cm ion thrusters, beam density and potential data from a 15-cm ion thruster, and charge-exchange ion flow around a 30-cm thruster. A 20-cm thruster electrical configuration is depicted and facility effects are discussed. Finally, plasma modeling is covered in detail for plasma beam and charge-exchange plasma.

  2. Web-Based Exchange of Views Enhances "Global Studies"

    ERIC Educational Resources Information Center

    Ahamer, Gilbert; Kumpfmuller, Karl A.; Hohenwarter, Michaela

    2011-01-01

    Purpose: The aim of this article is to present the development-oriented Master's curriculum "Global Studies" (GS) at the University of Graz, Austria, as an example of interdisciplinary academic training with the purpose of fostering inter-"cultural" understanding. It aims to show that scientific disciplines can be understood as "cultures of…

  3. SuperLig Ion Exchange Resin Swelling and Buoyancy Study

    SciTech Connect

    Hassan, N.M.

    2000-07-27

    The objective of this study was to achieve a fundamental understanding of SuperLig resin swelling and shrinking characteristics, which lead to channeling and early breakthrough during loading cycles. The density of salt solution that causes resin floating was also determined to establish a limit for operation. Specific tests performed include (a) pH dependence, (b) ionic strength dependence and (c) buoyancy effect vs. simulant composition.

  4. Thermal annealing study of exchange-biased NiFe-FeMn films

    NASA Astrophysics Data System (ADS)

    Toney, Michael F.; Tsang, Ching; Kent Howard, J.

    1991-11-01

    We have studied the effects of thermal annealing (between 240 and 270 °C) on the magnetic and interface properties of exchange-biased NiFe/FeMn thin film couples. With moderate annealing, there is a change in the temperature-dependence of the exchange-bias from an initial, linear shape to a convex shape, which better approximates the asymptotic behavior set by the temperature dependence of the sublattice magnetization in bulk FeMn. With extended annealing, the magnitude of the exchange-bias at room temperature increases significantly, and the blocking temperature (where the exchange-bias vanishes) increases beyond the Neel temperature of FeMn. Auger composition analysis shows that after extended annealing, there has been substantial interdiffusion of Ni into the FeMn, Mn into the NiFe, and Fe away from the interface; the original NiFe/FeMn interface becomes preferentially enriched in Mn and Ni, and deficient in Fe. Extended annealing apparently leads to the formation of a NiMnFe alloy that exhibits strong antiferromagnetic order and couples to the NiFe to produce a much stronger exchange bias than the original FeMn alloy.

  5. Unfolding and aggregation of monoclonal antibodies on cation exchange columns: effects of resin type, load buffer, and protein stability.

    PubMed

    Guo, Jing; Carta, Giorgio

    2015-04-01

    The chromatographic behavior of a monoclonal antibody (mAb) that exhibits a pronounced two-peak elution behavior is studied for a range of strong cation exchange resins and with varying load buffer pH and composition. Six stationary phases are considered, including two tentacle-type resins (Fractogel EMD SO3-(M) and Eshmuno S), a resin with grafted polymeric surface extenders (Nuvia S), a resin with a bimodal pore size distribution (POROS HS 50), and two macroporous resins without polymer grafts (Source 30S and UNOsphere Rapid S). The two-peak elution behavior is very pronounced for the tentacle and polymer-grafted resins and for POROS HS 50, but is essentially absent for the two macroporous resins. The extent of this behavior decreases as the buffer pH and concentration increase and, consequently, mAb binding becomes weaker. Replacing sodium with arginine as the buffer counterion, which is expected to decrease the mAb binding strength, nearly completely eliminates the two-peak behavior, while replacing sodium with tetra-n-butylammonium hydroxide, which is expected to increase the mAb binding strength, dramatically exacerbate the effect. As shown by hydrogen-deuterium exchange mass spectrometry (HX-MS), the two-peak elution behavior is related to conformational changes that occur when the mAb binds. These changes result in increased solvent exposure of specific peptides in the Fc-region for either the Fractogel or the Nuvia resin. No significant conformational changes were seen by HX-MS when the mAb was bound to the UNOsphere resin or on the Fractogel resin when arginine was used in lieu of sodium as the load buffer counterion. Experiments with two additional mAbs on the Fractogel resin show that the two-peak elution behavior is dependent on the particular antibody. Circular dichroism suggests that the propensity of different mAbs to either precipitate directly or to form stabilizing intermolecular structures upon exposure to thermal stress can be related to their chromatographic behaviors. PMID:25739785

  6. Magnetization reversal studies of continuous and patterned exchange biased NiFe/FeMn thin films

    NASA Astrophysics Data System (ADS)

    Mohanty, J.; Vandezande, S.; Brems, S.; Van Bael, M. J.; Charlton, T.; Langridge, S.; Dalgliesh, R. M.; Temst, K.; Van Haesendonck, C.

    2012-10-01

    In this article we present a detailed investigation of the structural and magnetic properties of exchange biased NiFe (ferromagnet)/FeMn (antiferromagnet) thin films. The influence of the shape anisotropy on exchange bias and the magnetization reversal mechanism in a sample with patterned lines is compared with a continuous two-dimensional reference sample. Polarized neutron reflectivity (PNR) is employed to study the magnetization reversal by analyzing the spin-flip and non-spin-flip reflectivities. PNR measurements show that the magnetization reversal in the reference two-dimensional film and patterned lines is by domain wall motion rather than coherent rotation of magnetization.

  7. Sorption of SPADNS azo dye on polystyrene anion exchangers: equilibrium and kinetic studies.

    PubMed

    Greluk, Magdalena; Hubicki, Zbigniew

    2009-12-15

    The sorption of SPANDS from aqueous solution onto the macroporous polystyrene anion exchangers of weakly basic Amberlyst A-21 and strongly basic Amberlyst A-29 in a batch method was studied. The effect of initial dye concentration and phase contact time was considered to evaluate the sorption capacity of anion exchangers. Equilibrium data were attempted by various adsorption isotherms including the Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models. A comparison of kinetic models applied to the adsorption rate constants and equilibrium sorption capacities was made for the Lagergren first-order, pseudo second-order and Morris-Weber intraparticle diffusion kinetic models. The results showed that the adsorption isotherm is in the good agreement with the Langmuir equation and that the adsorption kinetics of SPADNS on both anion exchangers can be best described by the pseudo second-order model. PMID:19660863

  8. Development of a Direct Contact Heat Exchanger, Phase 1 Study Report

    NASA Technical Reports Server (NTRS)

    Manvi, R.

    1978-01-01

    Electric power generation from geothermal brine requires, first, bringing the hot brine to the surface and then converting the heat to electric power. Binary conversion schemes were proposed, with the heat transfer between the brine and the working organic fluid taking place in a conventional tube and shell heat exchanger. If the brine is heavily laden with dissolved solids, however, solids buildup on the heat exchanger surfaces leads to a considerable degree of fouling and an accompanying drop in performance is experienced. A possible solution to this problem is the use of a direct contact exchanger with the secondary fluid power cycle. The proposed concept involves the formation of fluid sheets and bells as heat angles. Results of a study concerning the fluid mechanics of such surfaces are given.

  9. Density functional study on anisotropic magnetic exchange couplings in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Oh, Hyungju; Choi, Hyoung Joon

    2013-03-01

    Iron-based superconductors exhibit many different antiferromagnetically ordered ground states. An understanding of the magnetic exchange couplings and ground-state Hamiltonian in the parent compounds of these materials is important because such an information could be the basis to unveil the mechanism of unconventional superconductivity. By performing first-principles calculations of the electronic and magnetic properties with non-collinear spin configurations, we study the anisotropic magnetic exchange couplings in iron-based superconductors. We obtain magnetic excitations using the anisotropic magnetic exchange couplings, and compare the results with published inelastic neutron scattering data. This work was supported by the NRF of Korea (Grant No. 2011-0018306). Computational resources have been provided by KISTI Supercomputing Center (Project No. KSC-2012-C2-14).

  10. A study of flow patterns in a thermosyphon for compact heat exchanger applications

    Microsoft Academic Search

    M. H. M. Grooten; Geld van der CWM; Deursen van LGM

    2008-01-01

    Recently, thermosyphons have attracted interest in the design of smaller, lighter and cheaper heat exchangers, be- cause of their compactness, low thermal resistance, high heat recovery effectiveness, safety and reliability. In order to un- derstand the effects of the angle of inclination on heat trans- fer characteristics of a thermosyphon, a dedicated flow visu- alization study of flow patterns in

  11. Interacting-boson-approximation study on the nuclear structural factor in double-charge-exchange reactions

    SciTech Connect

    Wu, H.; Wang, R.; Liu, Y.; Zhao, E. (World Laboratory (CCAST), P.O. Box 8730, Beijing (China) Physics Department, Suzhou University, Suzhou (China) Institute of High Energy Physics, Academia Sinica, Beijing (China) Institute of Theoretical Physics, Academia Sinica, Beijing (China))

    1992-04-01

    The double-charge-exchange (DCX) reaction with Ca isotopes as targets is studied by employing the interacting-boson approximation (IBA). A comparison between the IBA and the shell-model results shows that IBA is a good approximation of the shell model in describing the DCX reactions.

  12. DETERMINING CARBON ISOTOPE SIGNATURES FROM MICROMETEOROLOGICAL MEASUREMENTS: IMPLICATIONS FOR STUDYING BIOSPHERE-ATMOSPHERE EXCHANGE PROCESSES

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In recent years considerable effort has been focused on combining micrometeorological and stable isotope techniques to elucidate and study biosphere-atmosphere exchange processes. At the ecosystem scale, these methods are increasingly being used to address a number of challenging problems, including...

  13. Tips on Studying Abroad at Waseda University (Undergraduate Exchange) in Japan

    E-print Network

    Li, Mo

    Tips on Studying Abroad at Waseda University (Undergraduate Exchange) in Japan Want to know what it scoop on their host institution and host country. · I chose this program because I was born in Japan going to graduate school in Japan, but before making a decision, I wanted to experience life in Japan

  14. Interpersonal Exchanges in Discussion Forums: A Study of Learning Communities in Distance Learning Settings

    ERIC Educational Resources Information Center

    Scherer Bassani, Patricia B.

    2011-01-01

    Cooperative relationships are the foundation of a model of online learning based on communities. The development of a community depends on the interaction between community members. This study is based on the belief that the dynamics of exchange of thought, from a Piagetian perspective, are one possibility for understanding the process of…

  15. State Roundtable Case Studies: Idaho and South Dakota. Western Policy Exchange Project.

    ERIC Educational Resources Information Center

    Bender, Louis W.

    These two case studies were commissioned by the Western Interstate Commission for Higher Education (WICHE) as part of its Western Policy Exchange (WPE) Project, in an effort to understand the dynamics and perceived consequences of a "state roundtable" approach to fostering partnerships in education in order to advance systemic change and reforms…

  16. Further studies on vinamidinium salt amine exchange reactions, borohydride reductions and subsequent transformations

    PubMed Central

    Gupton, John T.; Telang, Nakul; Jia, Xin; Giglio, Benjamin C.; Eaton, James E.; Barelli, Peter J.; Hovaizi, Mona; Hall, Kayleigh E.; Welden, R. Scott; Keough, Matthew J.; Worrall, Eric F.; Finzel, Kara L.; Kluball, Emily J.; Kanters, Rene P.F.; Smith, Timothy M.; Smith, Stanton Q.; Nunes, Shane R.; Wright, Mathew T.; Birnstihl, Jennifer M.

    2010-01-01

    Studies directed at the amine exchange reaction of vinamidinium salts followed by sodium borohydride reduction to secondary and tertiary allylic amines are described. The tertiary allylic amines were alkylated and subjected to base mediated rearrangement to yield a variety of highly functionalized tertiary homoallylic amines. PMID:21113324

  17. Field studies of leaf gas exchanges in oil palm tree (Elaeis guineensis Jacq.)

    E-print Network

    Paris-Sud XI, Université de

    Field studies of leaf gas exchanges in oil palm tree (Elaeis guineensis Jacq.) E. Dufrene B. Our purpose was to characterize, under conditions of good water supply, variations in leaf photosyn) or leaf water potential and stomatal conductance (Adjahossou, 1983). Only 2 experiments were conducted

  18. LIQUIDITY, STOCK RETURNS AND OWNERSHIP STRUCTURE: AN EMPIRICAL STUDY OF THE BOMBAY STOCK EXCHANGE

    Microsoft Academic Search

    Venkat R. Eleswarapu; Chandrasekar Krishnamurti

    We study the problem of illiquidity that afflicts the stocks listed on the Bombay Stock Exchange (B.S.E.). Trading on a regular basis is concentrated in only a few of the listed stocks. We examine this issue by empirically looking at the characteristics of firms leading to differential levels of trading frequency and also, the resultant effect on average returns. Based

  19. Using the level set method to study the effects of heterogeneity and anisotropy on hyporheic exchange

    NASA Astrophysics Data System (ADS)

    Chen, Cheng; Zeng, Lingzao

    2015-05-01

    The level set method was used to simulate the interface movement when a conservative solute migrated from stream water to subsurface water, and study the effects of streambed heterogeneity and anisotropy on solute penetration. The level set method is a numerical technique for tracking moving interfaces based on the idea that the interface is a level set curve of a higher-dimensional function. Numerical simulations were compared to experiments conducted in a recirculating flume. Streambed heterogeneity led to water exchange between multiple bed forms, while in homogeneous streambeds the water exchange was restricted within a single bed form. A thin layer of homogeneous sediments at the top of the heterogeneous streambeds significantly increased the interfacial water influx, resulting in faster solute penetration and stream concentration decrease. Streambed heterogeneity generated horizontal preferential flow paths in the upper part of the bed while decreasing pore water velocities deeper in the bed, which hindered vertical penetration and consequently led to slower stream concentration decrease. Decreasing vertical permeability or increasing horizontal permeability led to slower vertical penetration and stream concentration decrease. Decreasing vertical permeability had a much more significant impact on solute penetration than increasing horizontal permeability, because mass transfer in hyporheic exchange is greatly dominated by vertical advection which depends primarily on the vertical permeability. This study was the first to apply the level set method in the study of hyporheic exchange. The theoretical and numerical methods have important applications in subsurface flow and transport processes.

  20. Computing H/D-Exchange rates of single residues from data of proteolytic fragments

    PubMed Central

    2010-01-01

    Background Protein conformation and protein/protein interaction can be elucidated by solution-phase Hydrogen/Deuterium exchange (sHDX) coupled to high-resolution mass analysis of the digested protein or protein complex. In sHDX experiments mutant proteins are compared to wild-type proteins or a ligand is added to the protein and compared to the wild-type protein (or mutant). The number of deuteriums incorporated into the polypeptides generated from the protease digest of the protein is related to the solvent accessibility of amide protons within the original protein construct. Results In this work, sHDX data was collected on a 14.5 T FT-ICR MS. An algorithm was developed based on combinatorial optimization that predicts deuterium exchange with high spatial resolution based on the sHDX data of overlapping proteolytic fragments. Often the algorithm assigns deuterium exchange with single residue resolution. Conclusions With our new method it is possible to automatically determine deuterium exchange with higher spatial resolution than the level of digested fragments. PMID:20701784

  1. Structural basis of sodium–potassium exchange of a human telomeric DNA quadruplex without topological conversion

    PubMed Central

    Wang, Zi-Fu; Li, Ming-Hao; Hsu, Shang-Te Danny; Chang, Ta-Chau

    2014-01-01

    Understanding the mechanism of Na+/K+-dependent spectral conversion of human telomeric G-quadruplex (G4) sequences has been limited not only because of the structural polymorphism but also the lack of sufficient structural information at different stages along the conversion process for one given oligonucleotide. In this work, we have determined the topology of the Na+ form of Tel23 G4, which is the same hybrid form as the K+ form of Tel23 G4 despite the distinct spectral patterns in their respective nuclear magnetic resonance (NMR) and circular dichroism spectra. The spectral difference, particularly the well-resolved imino proton NMR signals, allows us to monitor the structural conversion from Na+ form to K+ form during Na+/K+ exchange. Time-resolved NMR experiments of hydrogen–deuterium exchange and hybridization clearly exclude involvement of the global unfolding for the fast Na+/K+ spectral conversion. In addition, the K+ titration monitored by NMR reveals that the Na+/K+ exchange in Tel23 G4 is a two-step process. The addition of K+ significantly stabilizes the unfolding kinetics of Tel23 G4. These results offer a possible explanation of rapid spectral conversion of Na+/K+ exchange and insight into the mechanism of Na+/K+ structural conversion in human telomeric G4s. PMID:24476914

  2. Studies in liquid phase mineralization of cation exchange resin by a hybrid process of Fenton dissolution followed by wet oxidation

    Microsoft Academic Search

    T. L. Gunale; V. V. Mahajani; P. K. Wattal; C. Srinivas

    2009-01-01

    The spent ion exchange resin poses a disposal problem. A novel process, dissolution followed by wet oxidation (WO), for mineralization of the cation exchange resin (gel type) was studied by using homogeneous CuSO4 as the catalyst. The waste obtained after copper catalyzed dissolution of ion exchange resin by H2O2 was then further treated by wet oxidation for mineralization. The process

  3. Science and Technology Policies Information Exchange System (SPINES) Feasibility Study. Science Policy Studies and Documents No. 33(1).

    ERIC Educational Resources Information Center

    Coblans, H.; And Others

    A feasibility study was made to define, within the conceptual framework and in accordance with the recommendations of the UNISIST program, the managerial, technical, legal, and financial framework for the setting up of an International Science and Technology Policies Information Exchange System (SPINES). This report describes in some detail the…

  4. Parametric Sensitivity Study of Operating and Design Variables in Wellbore Heat Exchangers

    SciTech Connect

    Nalla, G.; Shook, G.M.; Mines, G.L.; Bloomfield, K.K.

    2004-05-01

    This report documents the results of an extensive sensitivity study conducted by the Idaho National Engineering and Environmental Laboratory. This study investigated the effects of various operating and design parameters on wellbore heat exchanger performance to determine conditions for optimal thermal energy extraction and evaluate the potential for using a wellbore heat exchanger model for power generation. Variables studied included operational parameters such as circulation rates, wellbore geometries and working fluid properties, and regional properties including basal heat flux and formation rock type. Energy extraction is strongly affected by fluid residence time, heat transfer contact area, and formation thermal properties. Water appears to be the most appropriate working fluid. Aside from minimal tubing insulation, tubing properties are second order effects. On the basis of the sensitivity study, a best case model was simulated and the results compared against existing low-temperature power generation plants. Even assuming ideal work conversion to electric power, a wellbore heat exchange model cannot generate 200 kW (682.4e+3 BTU/h) at the onset of pseudosteady state. Using realistic conversion efficiency, the method is unlikely to generate 50 kW (170.6e+3 BTU/h).

  5. Parametric Sensivity Study of Operating and Design Variables in Wellbore Heat Exchangers

    SciTech Connect

    G. Michael Shook; Gopi Nalla; Gregory L. Mines; K. Kit Bloomfield

    2004-05-01

    This report documents the results of an extensive sensitivity study conducted by the Idaho National Engineering and Environmental Laboratory. This study investigated the effects of various operating and design parameters on wellbore heat exchanger performance to determine conditions for optimal thermal energy extraction and evaluate the potential for using a wellbore heat exchanger model for power generation. Variables studied included operational parameters such as circulation rates, wellbore geometries and working fluid properties, and regional properties including basal heat flux and formation rock type. Energy extraction is strongly affected by fluid residence time, heat transfer contact area, and formation thermal properties. Water appears to be the most appropriate working fluid. Aside from minimal tubing insulation, tubing properties are second order effects. On the basis of the sensitivity study, a best case model was simulated and the results compared against existing low-temperature power generation plants. Even assuming ideal work conversion to electric power, a wellbore heat exchange model cannot generate 200 kW (682.4e+3 BTU/h) at the onset of pseudosteady state. Using realistic conversion efficiency, the method is unlikely to generate 50 kW (170.6e+3 BTU/h).

  6. A study on the exchange coupling of NdFeB-type nanocomposites using Henkel plots

    E-print Network

    Laughlin, David E.

    A study on the exchange coupling of NdFeB-type nanocomposites using Henkel plots Q. Chen and B. M of Physics. S0021-8979 99 47508-5 INTRODUCTION Recently, NdFeB nanocomposite intermetallic com- pounds have-rich NdFeB nanocomposite, (Nd0.95La0.05 9.5FebalCo5Nb2B10.5 , is reported. While the de- tailed

  7. Comparative study of key exchange and authentication methods in application, transport and network level security mechanisms

    NASA Astrophysics Data System (ADS)

    Fathirad, Iraj; Devlin, John; Jiang, Frank

    2012-09-01

    The key-exchange and authentication are two crucial elements of any network security mechanism. IPsec, SSL/TLS, PGP and S/MIME are well-known security approaches in providing security service to network, transport and application layers; these protocols use different methods (based on their requirements) to establish keying materials and authenticates key-negotiation and participated parties. This paper studies and compares the authenticated key negotiation methods in mentioned protocols.

  8. 24\\/7 Software Development in Virtual Student Exchange Groups: Redefining the Work and Study Week

    Microsoft Academic Search

    Z. Chaczko; R. Klempous; J. Nikodem; J. Rozenblit

    2006-01-01

    A concept of time zone driven, 24\\/7-week software development in a Virtual Student Exchange (VSX) environment is being defined, developed and applied to explore reliable and efficient continuous modes of work\\/study processes. The overall goal is to assess the suitability and benefits of this innovative approach to teaching and learning in order to increase the efficiency and effectiveness of these

  9. Tunable diode laser absorption spectroscopy for stable isotope studies of ecosystem–atmosphere CO 2 exchange

    Microsoft Academic Search

    David R. Bowling; Steve D. Sargent; Bert D. Tanner; James R. Ehleringer

    2003-01-01

    The stable isotope content of atmospheric CO2 provides information about ecosystem carbon–water relations and biosphere–atmosphere carbon exchange. Virtually every isotope study within these fields has required air sample collection at remote locations followed by isotope analysis at a laboratory. This requirement severely limits sampling frequency and experiment duration. In this paper, we evaluate a tunable diode laser absorption spectrometer (TDL)

  10. Boron Removal from Aqueous Solution by Ion-Exchange Resin: Column Sorption Elution Studies

    Microsoft Academic Search

    T. E. Bekta?; N. Öztiirk

    2004-01-01

    A column sorption-elution study was carried out by using a strong base anion exchange resin (Dowex 2x8) for the removal of boron from aqueous solution. The breakthrough curve was obtained as a function of feed flow rate and capacity value of resin was calculated. The boron on the resin was quantitatively eluted with 0.5M HCl solution at different flow rates.

  11. Boron removal from aqueous solutions by ion-exchange resin: Column sorption–elution studies

    Microsoft Academic Search

    T. Ennil Köse; Ne?e Öztürk

    2008-01-01

    A column sorption–elution study was carried out by using a strong base anion-exchange resin (Dowex 2×8) for the removal of boron from aqueous solutions. The breakthrough curve was obtained as a function of feed flow rate and the total and breakthrough capacity values of the resin were calculated. The boron on the resin was quantitatively eluted with 0.5M HCl solution

  12. Study on elution ability of salicylic acid on ion exchange resins in supercritical carbon dioxide

    Microsoft Academic Search

    Ping Yuan; Jianguo Cai; Junjie Gong; Xiu Deng

    2009-01-01

    The elution ability of salicylic acid on ion exchange resins in supercritical carbon dioxide has been studied. Some factors\\u000a influencing elution recovery, including entrainer, temperature, pressure and the flow rate of supercritical fluid CO2 are discussed in this work. The addition of a small amount of entrainer, such as ethanol, triethanolamine and their mixture\\u000a to supercritical CO2 can cause dramatic

  13. Design study of a transverse-to-longitudinal emittance exchange proof-of-principle experiment

    SciTech Connect

    Sun, Y.-E.; Kim, K.-J.; Power, J. G.; Piot, P.; Rihaoui, M. M.; Northern Illinois Univ.; FNL

    2008-01-01

    Transverse-to-longitudinal emittance exchange can be achieved through certain arrangements of dipole magnets and a dipole mode rf cavity. Theory on such schemes has been developed in the past several years. In this paper we report our numerical simulations to optimize a low energy (E sime 15 MeV) proof-of-principle experiment planned at the Argonne Wakefield Accelerator (AWA). Parametric studies of the dipole magnets and cavity strengths, as well as initial beam parameters, are presented.

  14. A Study of Jordanian University Students' Perceptions of Using Email Exchanges with Native English Keypals for Improving Their Writing Competency

    ERIC Educational Resources Information Center

    Mahfouz, Safi Mahmoud

    2010-01-01

    English foreign language learners generally tend to consider email exchanges with native speakers (NSs) as an effective tool for improving their foreign language proficiency. This study investigated Jordanian university students' perceptions of using email exchanges with native English keypals (NEKs) for improving their writing competency. A…

  15. Ligand exchange dynamics in aqueous solution studied with 2DIR spectroscopy.

    PubMed

    Park, Sungnam; Ji, Minbiao; Gaffney, Kelly J

    2010-05-20

    We have used time-resolved multidimensional vibrational spectroscopy, generally termed 2DIR spectroscopy, to study the equilibrium dynamics of ligand exchange in an aqueous solution containing 3.4 M Mg(ClO(4))(2) and 1.2 M NaSCN. The sensitivity of the CN stretching frequency of thiocyanate (SCN(-)) to contact ion pair formation with Mg(2+) ions generates distinct spectroscopic signatures for the MgNCS(+) contact ion pair and the free SCN(-). We have utilized 2DIR spectroscopy to successfully resolve the interconversion between these thiocyanate configurations and measured the MgNCS(+) contact ion pair dissociation time constant to be 52 +/- 10 ps. We attribute the observed dynamics to perchlorate-thiocyanate anion exchange in the first solvation shell of the Mg(2+) cation. Magnesium ions in this concentrated ionic solution will be coordinated by water molecules, as well as perchlorate and thiocyanate ions. While prior studies have observed microsecond residence times for water ligands in the first coordination sphere of Mg(2+), our study represents the first experimental observation of anion exchange in the first solvent shell of the Mg(2+) cation. We have also used orientational relaxation and spectral diffusion dynamics to quantify the dynamical distinctions between the free anion and the anion in the contact ion pair. PMID:20426448

  16. Experimental study on impact fretting in heat exchanger tubes with brush plated coatings

    SciTech Connect

    Zhendong Dai [Nanjing Univ. of Aeronautics and Astronautics (Canada)

    1994-11-01

    The impact fretting wear of heat exchanger tubes with brush-plated copper, nickel and nickel-tungsten alloy coatings was experimentally studied. The test results showed that the wear rate of steel 10 specimens was highest, followed by copper coated, and those coated with a nickel and nickel-tungsten alloy, which performed best. The study suggested that tubes with a harder coating showed superior resistance to impact fretting wear. Scanning electron micrographs and metallographs clearly showed that the predominent wear process in this study was surface fatigue. 17 refs., 7 figs., 1 tab.

  17. UV Resonance Raman Spectral Hydrogen Exchange Studies of Poly-L-Lysine's Conformation

    NASA Astrophysics Data System (ADS)

    Ma, Lu; Asher, Sanford

    2009-03-01

    The rate of exchange of peptide backbone NH group with the hydrogen of aqueous solvents is sensitive to the peptide secondary structure. In this work, we use a continuous flow rapid mixing technique and study H/D exchange rates of the model peptide poly-l-lysine (PLL) using UV resonance Raman spectroscopy. Different conformational equilibria of PLL between the helical (?, 310, and ?-helix) and extended conformations (PPII and 2.51-helix) are obtained by controlling solvent pH and salt concentration. The AmII' band of the peptide backbone is used as the deuteration marker. The H/D change rate of PLL provides direct information of the stability of different conformations. Additionally, these results provide insight into backbone conformation fluctuations and how various factors affect the conformation.

  18. Temperature effect in polycrystalline exchange-biased bilayers: A Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Maitre, A.; Ledue, D.; Barbe, F.; Patte, R.

    2012-04-01

    A model of polycrystalline F/AF bilayers based on the Voronoi construction is considered to investigate the microstructure effect on exchange bias properties. This study is carried out by means of Monte Carlo simulations. The thermal variation of the exchange and coercive fields are in good qualitative agreement with previous experimental results on NiFe/NiMn bilayers. The blocking temperature distribution is determined by reproducing the experimental procedure based on an annealing. Then, it is evidenced that, by taking into account a decrease of the magnetization at low-temperature, at the F/AF interface in some of the AF grains, leads to the observation of the unusual low-T peak in the distribution.

  19. Ion exchange at the electrode/electrolyte interface studied by probe beam deflection techniques.

    PubMed

    Barbero, César A

    2005-05-01

    Probe beam deflection (PBD) techniques are a set of in situ electrochemical methods based on the measurement of refractive index gradients in front of the electrode/electrolyte interface. Here, the details of the techniques are described. First, the theory of potential step chronodeflectometry and pulse voltadeflectometry is discussed. Later, different numerical procedures used for data processing and/or simulation of cyclic voltadeflectometry experiments are described. Then, an overview is performed of the techniques use to study electrochemical systems. The systems described are limited to surface species in binary electrolytes, where a clear interpretation of the data is possible. Among the systems studied are: surface reactions on solid electrodes, electrochromic oxides, conducting polymers, redox polymers, double layer charging in nanostructured carbons and ion exchange in layer-by-layer self assembled multilayers. It is shown that PBD techniques have been able to ascertain the effect of different factors on ion exchange: anion size, pH, solvent, film composition, covalent modification, etc. The capability of the techniques to perform fast measurements was also used with success to find out kinetic effects on the ion exchange. PMID:19787889

  20. Computational Studies of Water-Exchange Rates around Aqueous Mg2+ and Be2+

    SciTech Connect

    Dang, Liem X.

    2014-12-18

    The water-exchange mechanisms occurring around aqueous divalent Mg2+ and Be2+ ions were studied using molecular dynamics simulations and rate theory methods. Properties associated with the water-exchange process, such as ion-water potentials of mean force, time-dependent transmission coefficients, and rate constants, were examined along with transition rate theory and the reactive flux method, which includes the role of solvent friction. The effects of pressure on water-exchange rates and activation volumes also were studied. The simulated activation volume values and mechanism were different for Mg2+ and Be2+ because of the nature of their solvation shells. We found the agreement with experiments was improved up on solvent effects were taken into account. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the U.S. Department of Energy (DOE) funded this work. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.

  1. Water exchange in plant tissue studied by proton NMR in the presence of paramagnetic centers.

    PubMed Central

    Baci?, G; Ratkovi?, S

    1984-01-01

    The proton NMR relaxation of water in maize roots in the presence of paramagnetic centers, Mn2+, Mn- EDTA2 -, and dextran-magnetite was measured. It was shown that the NMR method of Conlon and Outhred (1972, Biochem. Biophys. Acta. 288:354-361) can be applied to a heterogenous multicellular system, and the water exchange time between cortical cells and the extracellular space can be calculated. The water exchange is presumably controlled by the intracellular unstirred layers. The Mn- EDTA2 - complex is a suitable paramagnetic compound for complex tissue, while the application of dextran-magnetite is probably restricted to studies of water exchange in cell suspensions. The water free space of the root and viscosity of the cells cytoplasm was estimated with the use of Mn- EDTA2 -. The convenience of proton NMR for studying the multiphase uptake of paramagnetic ions by plant root as well as their transport to leaves is demonstrated. A simple and rapid NMR technique (spin-echo recovery) for continuous measurement of the uptake process is presented. PMID:6426539

  2. Functional Dynamics of Hexameric Helicase Probed by Hydrogen Exchange and Simulation

    PubMed Central

    Radou, Gaël; Dreyer, Frauke N.; Tuma, Roman; Paci, Emanuele

    2014-01-01

    The biological function of large macromolecular assemblies depends on their structure and their dynamics over a broad range of timescales; for this reason, it is a significant challenge to investigate these assemblies using conventional experimental techniques. One of the most promising experimental techniques is hydrogen-deuterium exchange detected by mass spectrometry. Here, we describe to our knowledge a new computational method for quantitative interpretation of deuterium exchange kinetics and apply it to a hexameric viral helicase P4 that unwinds and translocates RNA into a virus capsid at the expense of ATP hydrolysis. Room-temperature dynamics probed by a hundred nanoseconds of all-atom molecular dynamics simulations is sufficient to predict the exchange kinetics of most sequence fragments and provide a residue-level interpretation of the low-resolution experimental results. The strategy presented here is also a valuable tool to validate experimental data, e.g., assignments, and to probe mechanisms that cannot be observed by x-ray crystallography, or that occur over timescales longer than those that can be realistically simulated, such as the opening of the hexameric ring. PMID:25140434

  3. Nucleotide exchange in dimeric MCAK induces longitudinal and lateral stress at microtubule ends to support depolymerization

    PubMed Central

    Burns, Kyle M.; Wagenbach, Mike; Wordeman, Linda; Schriemer, David C.

    2015-01-01

    Summary Members of the kinesin-13 sub-family use their motor domains in an unconventional fashion to initiate microtubule depolymerization at microtubule (MT) ends, suggesting unique conformational transitions for lattice engagement, end adaptation or both. Using hydrogen/deuterium exchange and electron microscopy, we explored conformational changes in kinesin-13 MCAK in its dimeric form and when bound to a depolymerization intermediate. ATP hydrolysis relaxes the conformation of the free dimer, notably in the neck and N-terminal domain. Exchanging dimeric MCAK with ATP at the MT plus end induces outward curvature in ?/?-tubulin, accompanied by a restructuring of the MCAK neck and N-terminus, as it returns to a closed state. Re-establishing a closed dimer state imparts a lateral separation of paired tubulin dimers, which may assist in depolymerization. Thus, full-length ADP-MCAK transitions from an open diffusion-competent configuration to a closed state upon plus-end mediated nucleotide exchange, which is primarily mediated by conformational changes in the N-terminal domains of the dimer. PMID:25066134

  4. Microfluidic device for rapid solution exchange to study kinetics of cell physiology

    NASA Astrophysics Data System (ADS)

    Hu, Howard; Honnatti, Meghana; Gillis, Kevin

    2006-11-01

    Exchanging the extracellular solution of the cell rapidly (less than 10ms) is an important requirement in study the kinetics of cell physiology. A microfluidic device is developed to exchange the solution around the cells as they flow through a junction at the intersection of two microfluidic channels. The solution exchange time is measured experimentally by fluorescently labeling the cell surface membranes with a styryl dye, FM1-43 or FM 2-10, and then observing the time course of cell fluorescence decay following the rapid drop in the extracellular concentration of the FM dye that occurs as the cell flows past the fluidic junction. A numerical model is developed to guide the experimental design of microfluidic device. In the model, the motion of a single cell through a fluid junction is simulated and the mixing process of the solutions is solved. The model also includes the kinetics of departitioning of FM dyes from the cell membrane. The departitioning time constants for the FM dyes are determined from fitting the measured data of the cell fluorescence decay. This departitioning kinetics is important as FM dyes are commonly used to label cell membranes for the purpose of measuring the release of neurotransmitter from synaptic vesicles via exocytosis and the subsequent reuptake of vesicular membrane by endocytosis.

  5. Experimental study on impact/fretting wear in heat exchanger tubes

    SciTech Connect

    Cha, J.H.; Wambsganss, M.W.; Jendrzejczyk, J.A.

    1985-04-01

    A data bank of field experiences with heat exchanger tube vibration reveals numerous cases of tube failures at, or near, the baffle. The objective of this study is to provide qualitative impact/fretting wear information for heat exchanger tubes through the performance of a series of tests involving the pertinent parameters: impact force level, between the tube and its support; tube to support plate hole clearance; tube support plate thickness; and tube vibration frequency. The characteristics of impact/fretting wear relative to tube motion pattern, material combination and surrounding fluid were also investigated. The test apparatus consists of a cantilevered tube with a simulated tube support plate at the ''free end''. Tube vibration is induced by an electromagnetic exciter to simulate the flow-induced tube motion occurring in a real heat exchanger at the tube/tube support plate interface. Tests are conducted in air, water, and oil, all at room temperature. Wear rate increases significantly with the magnitude of the impact force between the tube and its support plate; the degree and trend of the wear rates are highly dependent on the mechanical and metallurgical properties of the tube/support material combination; the rate of impact/fretting wear decreases with increasing frequency. An empirical formula is proposed to correlate the experimental impact/fretting wear results.

  6. Ferromagnetic resonance study of the exchange bias field in NiFe\\/FeMn\\/NiFe trilayers

    Microsoft Academic Search

    V. P. Nascimento; E. Baggio Saitovitch; F. Pelegrini; L. C. Figueiredo; A. Biondo; E. C. Passamani

    2006-01-01

    The ferromagnetic resonance (FMR) technique is used to study the exchange bias field in asymmetrical NiFe\\/FeMn\\/NiFe trilayers produced by dc magnetron sputtering under different working pressures. The FMR spectra give evidence of two resonance modes attributed to the two asymmetrical noninteracting NiFe layers. The study of the in-plane angular dependence of the absorption field allows the measurement of the exchange

  7. Exchange coupling through spin-density waves in Cr(001) structures: Fe-whisker\\/Cr\\/Fe(001) studies

    Microsoft Academic Search

    B. Heinrich; J. F. Cochran; T. Monchesky; R. Urban

    1999-01-01

    Exchange coupling through a spin-density wave in Fe-whisker\\/Cr\\/Fe(001) structures has been studied using Brillouin light scattering (BLS) and magneto-optical Kerr effect (MOKE). The Fe-whisker(001) substrates provide nearly ideal templates: they are characterized by atomic terraces having dimensions in excess of several micrometers. Such templates are essential for the study of short-wavelength exchange coupling which is mediated by the intrinsic spin-density

  8. Experimental study of the Kirchhoff-Law-Johnson-Noise secure key exchange

    NASA Astrophysics Data System (ADS)

    Mingesz, Robert

    2014-09-01

    The Kirchhoff-Law-Johnson-Noise (KLJN) secure key distribution system provides a way of exchanging secure keys by using classical physics (electricity and thermodynamics). Several theoretical studies have addressed the performance and applicability of the communication protocol, and they have indicated that it is protected against all known types of attacks. However, until now, there have been very few real physical implementations and experimental tests of the protocol. With our work, we continue filling this gap. Details of implementing a KLJN based system are presented using a dedicated hardware and an off-the-shelf solution as well. Furthermore, the results of experimental tests and analysis of the performance will be presented.

  9. Study of Double Pomeron Exchange with the SFM detector at the CERN ISR

    NASA Astrophysics Data System (ADS)

    Fischer, H. G.; Geist, W.; Makariev, M.

    2014-11-01

    Selected results from the study of Double Pomeron Exchange with the Split Field Magnet detector at the CERN Intersecting Storage Rings are presented. This concerns various general features of central pionic systems as well as the spectroscopy in the ?+?- channel, emphasizing the production properties of the f2(1270) meson. This summary refers to a series of publications over a time span of 17 years based on the work of the CCHK1,2 and ABCDHW3-7 collaborations at the CERN ISR.

  10. Diffusion of hydrogen, deuterium, and tritium in niobium

    Microsoft Academic Search

    Matusiewicz

    1981-01-01

    The diffusion of hydrogen in niobium was investigated over the temperature range 148 to 500 degrees Kelvin, using measurements of the elastic after effect caused by long range diffusion (the Gorsky Effect). Relaxation curves for pure annealed niobium were generally not of the single exponential form expected from the Gorsky Effect theory, but were described well by a sum of

  11. The combined effect of rain and wind on air water gas exchange: A feasibility study

    NASA Astrophysics Data System (ADS)

    Ho, David T.; Veron, Fabrice; Harrison, Emily; Bliven, Larry F.; Scott, Nicholas; McGillis, Wade R.

    2007-06-01

    A series of experiments were conducted at University of Delaware's Air-Sea Interaction Laboratory to examine the combined effects of rain and wind on air-water gas exchange. During this study, ASIL WRX I, a combination of 3 rain rates and 4 wind speeds were used, for a total of 12 different environmental conditions. The SF 6 evasion method was used to determine the bulk gas transfer velocities, and airside profiles of wind and CO 2 were used to estimate flux-profiles of momentum and carbon dioxide. In addition to measurements of fluxes with and without rain in a wind-wave boundary layer, measurements of wave properties were also obtained. Rain is shown to alter the wind profile in the flume, and dampen surface waves. Also, SF 6 evasion indicates that with the present experimental setup, for most of the experimental conditions, rain and wind combine linearly to influence air-water gas exchange. Flux-profile relationships for marine atmospheric boundary layers, which were performed to scale up to field measurements, were explored by a comparison between SF 6-derived bulk fluxes and airside CO 2 profile measurements.

  12. Experimental study on impact/fretting wear in heat exchanger tubes

    SciTech Connect

    Cha, J.H.; Wambsganss, M.W.; Jendrzejczyk, J.A.

    1986-01-01

    The objective of this study is to provide qualitative impact/fretting wear information for heat exchanger tubes through the performance of a series of tests involving the pertinent parameters: force between the tube and its support; tube to support plate hole clearance; tube support plate thickness; preload; and tube vibration frequency. The characteristics of impact/fretting wear relative to material combinations and fluid environment were also investigated. The test apparatus consists of a cantilevered tube with a simulated tube support plate at the ''free end''. Tube vibration is induced by an electromagnetic exciter to simulate the flow-induced tube motion occurring in a real heat exchanger at the tube/tube support plate interface. Tests are conducted in air, water, and oil, all at room temperature. Removable wear rings are attached to the tube free end and simulated support fixture. Wear ring materials include carbon steel, 304 stainless steel, Inconel 600 and brass. Wear is measured by a weight loss technique and wear rates are calculated and reported as functions of the various pertinent parameters. Based on the test results, general conclusions are drawn.

  13. Experimental study on impact/fretting wear in heat exchanger tubes

    SciTech Connect

    Cha, J.H.; Wambsganss, M.W.; Jendrzejczyk, J.A.

    1987-08-01

    The objective of this study is to provide qualitative impact/fretting wear information for heat exchanger tubes through the performance of a series of tests involving the pertinent parameters: force between the tube and its support; tube to support plate hole clearance; tube support plate thickness; preload; and tube vibration frequency. The characteristics of impact/fretting wear relative to material combinations and fluid environment were also investigated. The test apparatus consists of a cantilevered tube with a simulated tube support plate at the ''free end.'' Tube vibration is induced by an electromagnetic exciter to simulate the flow-induced tube motion occurring in a real heat exchanger at the tube/tube support plate interface. Tests are conducted in air, water, and oil, all at room temperature. Removable wear rings are attached to the tube free end and simulated support fixture. Wear ring materials include carbon steel, 304 stainless steel, Inconel 600 and brass. Wear is measured by a weight loss technique and wear rates are calculated and reported as functions of the various pertinent parameters. Based on the test results, general conclusions are drawn.

  14. A study of PV/T collector with honeycomb heat exchanger

    NASA Astrophysics Data System (ADS)

    Hussain, F.; Othman, M. Y. H.; Yatim, B.; Ruslan, H.; Sopian, K.; Ibarahim, Z.

    2013-11-01

    This paper present a study of a single pass photovoltaic/thermal (PV/T) solar collector combined with honeycomb heat exchanger. A PV/T system is a combination of photovoltaic panel and solar thermal components in one integrated system. In order to enhance the performance of the system, a honeycomb heat exchanger is installed horizontally into the channel located under the PV module. Air is used as the heat remover medium. The system is tested with and without the honeycomb at irradiance of 828 W/m2 and mass flow rate spanning from 0.02 kg/s to 0.13 kg/s. It is observed that the aluminum honeycomb is capable of enhancing the thermal efficiency of the system efficiently. At mass flow rate of 0.11 kg/s, the thermal efficiency of the system without honeycomb is 27% and with honeycomb is 87 %. Throughout the range of the mass flow rate, the electrical efficiency of the PV module improved by 0.1 %. The improved design is suitable to be further investigated as solar drying system and space heating.

  15. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms.

    PubMed

    Widdows, Kate L; Panitchob, Nuttanont; Crocker, Ian P; Please, Colin P; Hanson, Mark A; Sibley, Colin P; Johnstone, Edward D; Sengers, Bram G; Lewis, Rohan M; Glazier, Jocelyn D

    2015-06-01

    Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [(14)C]l-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [(14)C]l-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with l-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.-Widdows, K. L., Panitchob, N., Crocker, I. P., Please, C. P., Hanson, M. A., Sibley, C. P., Johnstone, E. D., Sengers, B. G., Lewis, R. M., Glazier, J. D. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms. PMID:25761365

  16. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms

    PubMed Central

    Widdows, Kate L.; Panitchob, Nuttanont; Crocker, Ian P.; Please, Colin P.; Hanson, Mark A.; Sibley, Colin P.; Johnstone, Edward D.; Sengers, Bram G.; Lewis, Rohan M.; Glazier, Jocelyn D.

    2015-01-01

    Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [14C]l-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [14C]l-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with l-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.—Widdows, K. L., Panitchob, N., Crocker, I. P., Please, C. P., Hanson, M. A., Sibley, C. P., Johnstone, E. D., Sengers, B. G., Lewis, R. M., Glazier, J. D. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms. PMID:25761365

  17. DFT Study of Nitrogen-Substituted FAU: Effects of Ion Exchange and Aluminum Content on Base Strength

    E-print Network

    Auerbach, Scott M.

    DFT Study of Nitrogen-Substituted FAU: Effects of Ion Exchange and Aluminum Content on BaseVised Manuscript ReceiVed: October 15, 2010 We have studied base strengths of nitrogen-substituted (nitrided in zeolites.8 A variety of studies have demonstrated the use of nitrogen-substituted zeolites as base

  18. Thyroid hormone extraction by plasma exchange: a study of extraction rate.

    PubMed

    Puy, H; Lamoril, J; Marcelli, J M; Lalau, J D; Debussche, X; Quichaud, J; Desmet, G

    1992-01-01

    How to obtain an optimal efficiency of plasma exchanges in the treatment of severe hyperthyroidism has not been defined. In order to evaluate how long the exchanges must be continued to be fully effective in extracting thyroid hormones, we evaluated the extraction rate by repeated plasma sampling in two hyperthyroid patients and three euthyroid subjects who underwent a total of seven exchanges. Plasma concentrations of thyroid hormones were also determined just before, just after, and 24 hours following the exchange. The hormonal removal rate did not fall dramatically during the exchange, so that its efficiency--in terms of hormone extraction--depends closely on its duration. The determination of plasma thyroid hormone concentrations after the exchange does not appear to be useful in evaluating the thyroid hormone loss since these concentrations may not change in spite of the hormonal extraction. PMID:1292653

  19. Study on X(3872) from effective field theory with pion exchange interaction

    E-print Network

    P. Wang; X. G. Wang

    2013-04-03

    We study $D\\bar{D}^*$ ($D^*\\bar{D}$) scattering in the framework of unitarized heavy meson chiral perturbation theory with pion exchange and a contact interaction. $^3S_1-$$^3D_1$ mixing effects are taken into account. A loosely bound state X(3872), with the pole position being $M_{pole}=(3871.70-i0.39)\\mathrm{MeV}$, is found. The result is not sensitive to the strength of the contact interaction. Our calculation provides a theoretical confirmation of the existence of the $1^{++}$ state X(3872). The light quark mass dependence of the pole position indicates it has a predominately $D\\bar{D}^*$ ($D^*\\bar{D}$) molecular nature. When the $\\pi$ mass is larger than 142 MeV, the pole disappears which makes impossible the lattice simulation of this state at large quark mass.

  20. Study of X(3872) from Effective Field Theory with Pion-Exchange Interaction

    NASA Astrophysics Data System (ADS)

    Wang, P.; Wang, X. G.

    2013-07-01

    We study DD¯* (D*D¯) scattering in the framework of unitarized heavy meson chiral perturbation theory with pion exchange and a contact interaction. S13-D13 mixing effects are taken into account. A loosely bound state X(3872), with the pole position being Mpole=(3871.70-i0.39)MeV, is found. The result is not sensitive to the strength of the contact interaction. Our calculation provides a theoretical confirmation of the existence of the 1++ state X(3872). The light quark mass dependence of the pole position indicates it has a predominately DD¯* (D*D¯) molecular nature. When the ? mass is larger than 142 MeV, the pole disappears, which makes impossible the lattice simulation of this state at large quark mass.

  1. Charge Exchange Reaction: a powerful tool to study the ``Weak Response'' of nuclei

    NASA Astrophysics Data System (ADS)

    Fujita, Yoshitaka

    2014-09-01

    Weak-interaction processes, for example, Gamow-Teller (GT) transitions, play important roles in the stellar evolution and nucleosynthesis. ?-decay studies provide the most direct information on the transition strengths caused by these processes, but the accessible Ex range is limited by the decay Q values. On the other hand, Charge-Exchange (CE) reactions can access the transitions to higher excited states. Pioneering (p , n) reactions at intermediate incident energies (Ebeam > 100 MeV/nucleon) found the main part of the GT transition strength expected by the GT sum rule in GT resonances (GTRs) situated in the Ex = 10 - 15 MeV region, and detailed studies in combination with (n , p) studies provide further knowledge on the GT sum rule. Recent development of CE reactions toward higher resolution and sensitivity is impressive. The (p , n)-type (3He, t) reaction achieved a ?E ~ 30 keV and GTRs were resolved into individual states. The (d,2 He) reaction also provides much better resolution in the (n , p)-type study and recent (t,3 He) reaction in coincidence with ? decay could detect weakly excited states. We can also see future in the CE reactions using unstable incident beams. Weak-interaction processes, for example, Gamow-Teller (GT) transitions, play important roles in the stellar evolution and nucleosynthesis. ?-decay studies provide the most direct information on the transition strengths caused by these processes, but the accessible Ex range is limited by the decay Q values. On the other hand, Charge-Exchange (CE) reactions can access the transitions to higher excited states. Pioneering (p , n) reactions at intermediate incident energies (Ebeam > 100 MeV/nucleon) found the main part of the GT transition strength expected by the GT sum rule in GT resonances (GTRs) situated in the Ex = 10 - 15 MeV region, and detailed studies in combination with (n , p) studies provide further knowledge on the GT sum rule. Recent development of CE reactions toward higher resolution and sensitivity is impressive. The (p , n)-type (3He, t) reaction achieved a ?E ~ 30 keV and GTRs were resolved into individual states. The (d,2 He) reaction also provides much better resolution in the (n , p)-type study and recent (t,3 He) reaction in coincidence with ? decay could detect weakly excited states. We can also see future in the CE reactions using unstable incident beams. Partially supported by MEXT, Japan under Grant No. 22540310.

  2. Study of parallel and perpendicular exchange biases in FePt-FeMn multilayers

    SciTech Connect

    Phuoc, Nguyen N.; Suzuki, Takao [Information Storage Materials Laboratory, Toyota Technological Institute, 2-12-1 Hisakata, Tempaku, Nagoya 468-8511 (Japan)

    2006-04-15

    A systematic investigation of parallel and perpendicular exchange biases in [FePt/FeMn]{sub 10} multilayers deposited onto MgO(100) substrates by ion beam sputter-deposition system is performed. The thickness (FeMn) dependences of exchange bias field and blocking temperature are discussed. The blocking temperature increases with the increase of FeMn thickness and becomes nearly constant as the FeMn thickness is beyond a critical value. Of interest is the blocking temperature of the parallel exchange bias which is higher than that of the perpendicular one. Also, the angular dependence of parallel and perpendicular exchange biases is investigated.

  3. Study of parallel and perpendicular exchange biases in FePt-FeMn multilayers

    NASA Astrophysics Data System (ADS)

    Phuoc, Nguyen N.; Suzuki, Takao

    2006-04-01

    A systematic investigation of parallel and perpendicular exchange biases in [FePt/FeMn]10 multilayers deposited onto MgO(100) substrates by ion beam sputter-deposition system is performed. The thickness (FeMn) dependences of exchange bias field and blocking temperature are discussed. The blocking temperature increases with the increase of FeMn thickness and becomes nearly constant as the FeMn thickness is beyond a critical value. Of interest is the blocking temperature of the parallel exchange bias which is higher than that of the perpendicular one. Also, the angular dependence of parallel and perpendicular exchange biases is investigated.

  4. Kafirin adsorption on ion-exchange resins: isotherm and kinetic studies.

    PubMed

    Kumar, Prashant; Lau, Pei Wen; Kale, Sandeep; Johnson, Stuart; Pareek, Vishnu; Utikar, Ranjeet; Lali, Arvind

    2014-08-22

    Kafirin is a natural, hydrophobic and celiac safe prolamin protein obtained from sorghum seeds. Today kafirin is found to be useful in designing delayed delivery systems and coatings of pharmaceuticals and nutraceuticals where its purity is important and this can be obtained by adsorptive chromatography. This study is the first scientific insight into the isotherm and kinetic studies of kafirin adsorption on anion- and cation-exchange resins for practical applications in preparative scale chromatography. Adsorption isotherms of kafirin were determined for five anion- and two cation-exchange resins in batch systems. Isotherm parameters such as maximum binding capacity and dissociation constant were determined from Langmuir isotherm, and adsorptive capacity and affinity constant from Freundlich isotherm. Langmuir isotherm was found to fit the adsorption equilibrium data well. Batch uptake kinetics for kafirin adsorption on these resins was also carried out and critical parameters including the diffusion coefficient, film mass transfer coefficient, and Biot number for film-pore diffusion model were calculated. Both the isotherm and the kinetic parameters were considered for selection of appropriate resin for kafirin purification. UNOsphere Q (78.26 mg/ml) and Toyopearl SP-650M (57.4 mg/ml) were found to offer better kafirin binding capacities and interaction strength with excellent uptake kinetics under moderate operating conditions. With these adsorbents, film diffusion resistance was found to be major governing factor for adsorption (Bi<10 and ?<1). Based on designer objective function, UNOsphere Q was found be best adsorbent for binding of kafirin. The data presented is valuable for designing large scale preparative adsorptive chromatographic kafirin purification systems. PMID:25022481

  5. Low Mass MS/MS Fragments of Protonated Amino Acids used for Distinction of their 13C- Isotopomers in Metabolic Studies

    PubMed Central

    Ma, Xin; Dagan, Shai; Somogyi, Árpád; Wysocki, Vicki H.; Scaraffia, Patricia Y.

    2013-01-01

    Glu, Gln, Pro and Ala are the main amino acids involved in ammonia detoxification in mosquitoes. In order to develop a tandem mass spectrometry method (MS2) to monitor each carbon of the above isotopically-labeled 13C-amino acids for metabolic studies, the compositions and origins of atoms in fragments of the protonated amino acid should be first elucidated. Thus, various electrospray (ESI)-based MS2 tools were employed to study the fragmentation of these unlabeled and isotopically-labeled amino acids and better understand their dissociation pathways. A broad range of fragments, including previously-undescribed low m/z fragments was revealed. The formulae of the fragments (from m/z 130 down to m/z 27) were confirmed by their accurate masses. The structures and conformations of the larger fragments of Glu were also explored by ion mobility mass spectrometry (IM-MS) and gas-phase hydrogen/deuterium exchange (HDX) experiments. It was found that some low m/z fragments (m/z 27-30) are common to Glu, Gln, Pro and Ala. The origins of carbons in these small fragments are discussed and additional collision induced dissociation (CID) MS2 fragmentation pathways are proposed for them. It was also found that small fragments (? m/z 84) of protonated, methylated Glu and methylated Gln are the same as those of the underivatized Glu and Gln. Taken together, the new approach of utilizing low m/z fragments can be applied to distinguish, identify and quantify 13C-amino acids labeled at various positions, either in the backbone or side chain. PMID:23444051

  6. Element exchange between minerals at hydrothermal conditions: A case study with spinel

    NASA Astrophysics Data System (ADS)

    Jonas, L.; Muller, T.; Dohmen, R.

    2013-12-01

    It is generally believed that the presence of a fluid phase enhances the reactivity of minerals and promotes exchange reactions between minerals that are physically separated from each other. Two end-member mechanisms can be considered for the bulk equilibration of the mineral with the fluid: volume diffusion and dissolution-precipitation. A key parameter, which may control the overall kinetic behavior, is the solubility of the relevant elements within the fluid (e.g., [1]). We investigated the reaction mechanism of a model system to identify the role of the various parameters, in particular those controlling the solubility. Two polished spinel crystals (hercynite with xFe=0.6 and synthetic Mg-spinel) react in the presence of H2O at 750 °C and 0.2 GPa in a welded-shut Au-capsule for 1-24 hrs. The crystals are physically separated by a tube of noble metal dividing the capsule into two connected chambers. The surface of the reacted crystals is analyzed using optical methods and SEM and the near surface chemistry is studied via RBS. From the latter we are able to extract Fe-concentration depth profiles. First results show an increasing surface concentration of Fe in Mg-spinel with time. The depth profiles for experiments up to 8 hours reveal a decrease of Fe-concentration within the first 100 nm from the surface towards the center of the Mg-spinel. The Fe depth profiles can be simulated with a simplified diffusion model, assuming a fixed surface concentration and their shapes indicate that the inter-diffusion coefficient in spinel is concentration dependent. Our derived Fe-Mg diffusion coefficient [D(Fe-Mg) ? 1x10-19 m2/s for pure MgAl2O4) and its compositional dependence is consistent with an independent experimental study using thin film diffusion couples that were annealed at dry conditions at 1 atm [2]. The observed kinetic behavior of the experimental system was simulated using the model of [1]. The model geometry is identical to the present experimental setup and for the mineral fluid interaction a pure exchange of elements is considered without any mass transfer. From the simulations we obtain constraints for the effective transport rate of Fe through the fluid, which is basically controlled by the diffusion coefficient in the fluid and the solubility of Fe. Our calculations suggest that the concentration of dissolved Fe is up to two orders of magnitude higher than predicted by theoretical solubility calculations. The reaction mechanism map reveals that the reaction is controlled by diffusion in both the solid and the fluid. These results highlight the importance of the concentration of dissolved species for the exchange process. The solubility of the mineral phases is an important factor controlling the development of compositional profiles and may even control the reaction mechanism. This study demonstrates that the following common wisdoms are wrong in the general case: (I) The presence of fluid enhances the rate of the overall exchange reaction. (II) The presence of H2O enhances diffusion in the solid phase. [1] Dohmen & Chakraborty (2003), AmMin, 88, pp. 1251-1270; [2] Vogt (2009), Msc-Thesis, Ruhr-Universität Bochum, p.78

  7. Exchange bias study of epitaxial LSMO/Cr2O3 thin film heterostructures integrated on Si(100)

    NASA Astrophysics Data System (ADS)

    Punugupati, Sandhyarani; Hunte, Frank; Narayan, Jagdish

    2015-03-01

    FM/AFM exchange bias continues to be an interesting phenomenon from both a fundamental physics and an applications point of view. Recent studies of multiferroic materials have also seen a revival of interest in the magnetoelectric (ME) and antiferromagnetic (AFM) material Cr2O3. The study of exchange bias in heterostructures consisting of ferromagnet (FM) and ME thin films provides an additional mechanism of switching the magnetization of the FM by the application of an electric field. La0.7Sr0.3MnO3 (LSMO) is a FM material with TC above room temperature and shows colossal magnetoresistance. We have studied exchange bias in epitaxial thin film heterostructures of LSMO/Cr2O3 grown on C-YSZ/Si(100) by the PLD technique. We present a detailed structural characterization of the films by XRD (2O and ?) and TEM which confirm that the films were grown epitaxially. The heterostructures exhibited exchange bias as measured by SQUID magnetometry. The effects of LSMO deposition conditions, crystal orientation, temperature, and cooling field on the exchange bias will be discussed. Part of this research is supported by the National Science Foundation and the Army Research Office.

  8. Employee responses to relational fulfilment and work-life benefits : A social exchange study in the German public administration

    Microsoft Academic Search

    Severin Hornung; Jürgen Glaser

    2010-01-01

    Purpose – Investigating employee responses to relational fulfilment of the psychological contract and work-life benefits of a telecommuting program, this study aims to contribute to the literature on social exchange in employment. Design\\/methodology\\/approach – The setting of the study was the German public administration. Survey data from 947 Civil Servants were analyzed in structural equation models. Analysis of mean structure

  9. Ferromagnetic resonance study of the exchange bias field in NiFe/FeMn/NiFe trilayers

    NASA Astrophysics Data System (ADS)

    Nascimento, V. P.; Baggio Saitovitch, E.; Pelegrini, F.; Figueiredo, L. C.; Biondo, A.; Passamani, E. C.

    2006-04-01

    The ferromagnetic resonance (FMR) technique is used to study the exchange bias field in asymmetrical NiFe/FeMn/NiFe trilayers produced by dc magnetron sputtering under different working pressures. The FMR spectra give evidence of two resonance modes attributed to the two asymmetrical noninteracting NiFe layers. The study of the in-plane angular dependence of the absorption field allows the measurement of the exchange bias field at both bottom ferromagnetic (FM)/antiferromagnetic (AFM) and top AFM/FM interfaces.

  10. Numerical Study on Characteristics of a Pre-Cooling He II Heat Exchanger

    Microsoft Academic Search

    Y. Ueno; T. Okamura; A. Sato

    2004-01-01

    A numerical analysis has been performed in order to investigate the heat transfer and pressure drop characteristics of a pre-cooling He II heat exchanger. The heat conduction in the pre-cooled helium path in the flow direction was taken into account. Temperature distribution and pressure drop in the heat exchanger have been calculated for various conditions. It was found that a

  11. Educators Exchange Program Report, 1998-99. Program Report and Evaluation Study.

    ERIC Educational Resources Information Center

    Fawson, Kenneth D.; Abina, Armando; Alvarez, Rafael; Armstrong, William B.; Buyukkaya, Sonia; Kardos, Althea; Schubert, Cynthia

    In 1998, the San Diego Community College District (SDCCD) completed a successful third cycle of Educators Exchange Program (EEP) activities. The goal of EEP is to promote binational cooperation, cultural understanding and economic development through faculty exchange and technical assistance programs. During the last six years of program…

  12. An experimental study of a cross-flow type plate heat exchanger for dehumidification\\/cooling

    Microsoft Academic Search

    W. Y Saman; S Alizadeh

    2002-01-01

    The thermal and dehumidification behaviour of a standard cross-flow type plate heat exchanger, intended for use as a dehumidifier\\/cooler, has been investigated both experimentally and numerically. Three sets of experiments have been carried out where air is blown into the primary and secondary sides of the exchanger, while water and liquid desiccant were being sprayed in a counter flow arrangement.

  13. Density Functional Theory Study of Transformations of Nitrogen Oxides Catalyzed by Cu-Exchanged Zeolites

    E-print Network

    Adams, James B

    chemistry of nitrogen oxides. The catalyst active site is considered to be an isolated, zeolite (Z)-bound Cu zeolite catalyst chemistry. In a high silica zeolite such as Cu-ZSM-5, exchanged Cu is believed to exist-Exchanged Zeolites W. F. Schneider* and K. C. Hass Ford Research Laboratory, MD 3083/SRL, Dearborn, Michigan 48121

  14. Muon spin relaxation study of exchange coupling in dilute AgMn alloys

    SciTech Connect

    Heffner, R.H.; Cooke, D.W.; Hutson, R.L.; Schillaci, M.E.; Dodds, S.A.; Gist, G.A.; MacLaughlin, D.E.

    1985-01-01

    We have observed for the first time conduction-electron mediated muon-impurity coupling, and deduced the strength of the conduction electron-Mn exchange coupling. Our results are marginally consistent with a wave-vector dependent exchange model. 16 refs.

  15. F- and H-Area Seepage Basins Water Treatment System Process Optimization and Alternative Chemistry Ion Exchange/Sorbent Material Screening Clearwell Overflow Study

    SciTech Connect

    Serkiz, S.M.

    2000-08-30

    This study investigated alternative ion exchange/sorbent materials and polishing chemistries designed to remove specific radionuclides not removed during the neutralization/precipitation/clarification process.

  16. Material Studies Related to the Use of NaK Heat Exchangers Coupled to Stirling Heater Heads

    NASA Technical Reports Server (NTRS)

    Locci, Ivan E.; Bowman, Cheryl L.; Geng, Steven M.; Robbie, Malcolm G.

    2011-01-01

    NASA has been supporting design studies and technology development that could provide power to an outpost on the Moon, Mars, or an asteroid. Technology development efforts have included fabrication and evaluation of components used in a Stirling engine power conversion system. Destructive material evaluation was performed on a NaK shell heat exchanger that was developed by the NASA Glenn Research Center (GRC) and integrated with a commercial 1 kWe Stirling convertor from Sunpower Incorporated. The NaK Stirling test demonstrated Stirling convertor electrical power generation using a pumped liquid metal heat source under thermal conditions that represent the heat exchanger liquid metal loop in a Fission Power Systems (FPS) reactor. The convertors were operated for a total test time of 66 hr at a maximum temperature of 823 K. After the test was completed and NaK removed, the heat exchanger assembly was sectioned to evaluate any material interactions with the flowing liquid metal. Several dissimilar-metal braze joint options, crucial for the heat exchanger transfer path, were also investigated. A comprehensive investigation was completed and lessons learned for future heat exchanger development efforts are discussed.

  17. Valence-bond study of the /H2, D2/ exchange reaction mechanism.

    NASA Technical Reports Server (NTRS)

    Freihaut, B.; Raff, L. M.

    1973-01-01

    The exchange reaction of H2 with D2 to form 2 HD is important in that it is fundamentally the simplest four-body exchange reaction and should therefore represent a model system on which various theories of reactions dynamics might be tested. A number of theoretical and experimental investigations carried out on this system are reviewed. It is concluded that a Y yields T yields Y mechanism for the (H2, D2) exchange is not a low energy pathway that would make theory compatible with the shock-tube experiments of Bauer and Ossa (1966) and of Burcat and Lifshits (1967).

  18. Speciation study of aluminium in beverages by Competitive Ligand Exchange-Adsorptive Stripping Voltammetry.

    PubMed

    Magnier, A; Fekete, V; Van Loco, J; Bolle, F; Elskens, M

    2014-05-01

    Competitive Ligand Exchange-Adsorptive Stripping Voltammetry (CLE-AdSV) was used for determining the speciation of aluminium in commonly consumed beverages (water, tea, infusion, coffee, orange juice, tomato juice, beer and red wine). Aluminium determination involves the adsorption of Al-complexes with the ligand cupferron onto a hanging mercury drop electrode. All samples were studied at pH 6.5 with an accumulation step at -0.60 V (all potential values in the paper are given versus the Ag/AgCl, [KCl]=3 M reference electrode) during 60 s, and a final cupferron concentration of 4 × 10(-4)M. These conditions were used to establish (i) the concentration of electro-labile aluminium, (ii) the range of ligand concentrations and (iii) the conditional stability constants of beverage samples using titration procedures. The results based on Ruzic plots were compared to computer simulation with Visual MINTEQ. This comparison suggests that labile monomeric Al-forms and soluble organic complexes of low molecular weight can be quantified by the CLE-AdSV procedure. Overall the relative uncertainties on the determination of the electro-active Al fraction and the complexing parameters, i.e., concentration and conditional stability constant of natural ligands in the samples, are less than 15%. Thanks to these results, information on Al bioavailability in beverages was collected and discussed. This study also illustrates the value of computer simulations when complex, time-consuming voltammetric techniques are applied. PMID:24720958

  19. Knowledge flow and exchange in interdisciplinary primary health care teams (PHCTs): an exploratory study

    PubMed Central

    Sibbald, Shannon L.; Wathen, C. Nadine; Kothari, Anita; Day, Adam M. B.

    2013-01-01

    Objective: Improving the process of evidence-based practice in primary health care requires an understanding of information exchange among colleagues. This study explored how clinically oriented research knowledge flows through multidisciplinary primary health care teams (PHCTs) and influences clinical decisions. Methods: This was an exploratory mixed-methods study with members of six PHCTs in Ontario, Canada. Quantitative data were collected using a questionnaire and analyzed with social network analysis (SNA) using UCINet. Qualitative data were collected using semi-structured interviews and analyzed with content analysis procedures using NVivo8. Results: It was found that obtaining research knowledge was perceived to be a shared responsibility among team members, whereas its application in patient care was seen as the responsibility of the team leader, usually the senior physician. PHCT members acknowledged the need for resources for information access, synthesis, interpretation, or management. Conclusion: Information sharing in interdisciplinary teams is a complex and multifaceted process. Specific interventions need to be improved such as formalizing modes of communication, better organizing knowledge-sharing activities, and improving the active use of allied health professionals. Despite movement toward team-based models, senior physicians are often gatekeepers of uptake of new evidence and changes in practice. PMID:23646028

  20. Equilibrium and kinetic ion exchange studies of Pb 2+, Cr 3+, Fe 3+ and Cu 2+ on natural clinoptilolite

    Microsoft Academic Search

    V. J. Inglezakis; M. D. Loizidou; H. P. Grigoropoulou

    2002-01-01

    In the present study ion exchange of Pb2+, Cu2+, Fe3+ and Cr3+ on natural clinoptilolite is examined at 27±1°C and initial concentration of 10meq\\/dm3. Equilibrium is favorable for Pb2+, unfavorable for Cu2+ and sigmoid for Cr3+ and Fe3+. Selectivity series deduced from equilibrium isotherms is Pb2+>Cr3+>Fe3+>Cu2+, while when maximum exchange levels (MELs) are considered, selectivity series is Pb2+>Cr3+?Cu2+?Fe3+. Cu2+ manifests

  1. One- and two-dimensional chemical exchange nuclear magnetic resonance studies of the creatine kinase catalyzed reaction

    SciTech Connect

    Gober, J.R.

    1988-01-01

    The equilibrium chemical exchange dynamics of the creatine kinase enzyme system were studied by one- and two-dimensional {sup 31}P NMR techniques. Pseudo-first-order reaction rate constants were measured by the saturation transfer method under an array of experimental conditions of pH and temperature. Quantitative one-dimensional spectra were collected under the same conditions in order to calculate the forward and reverse reaction rates, the K{sub eq}, the hydrogen ion stoichiometry, and the standard thermodynamic functions. The pure absorption mode in four quadrant two-dimensional chemical exchange experiment was employed so that the complete kinetic matrix showing all of the chemical exchange process could be realized.

  2. EXACKTE2: Exploiting the clinical consultation as a knowledge transfer and exchange environment: a study protocol

    PubMed Central

    Légaré, France; Stewart, Moira; Frosch, Dominick; Grimshaw, Jeremy; Labrecque, Michel; Magnan, Martine; Ouimet, Mathieu; Rousseau, Michel; Stacey, Dawn; van der Weijden, Trudy; Elwyn, Glyn

    2009-01-01

    Background While the evidence suggests that the way physicians provide information to patients is crucial in helping patients decide upon a course of action, the field of knowledge translation and exchange (KTE) is silent about how the physician and the patient influence each other during clinical interactions and decision-making. Consequently, based on a novel relationship-centered model, EXACKTE2 (EXploiting the clinicAl Consultation as a Knowledge Transfer and Exchange Environment), this study proposes to assess how patients and physicians influence each other in consultations. Methods We will employ a cross-sectional study design involving 300 pairs of patients and family physicians from two primary care practice-based research networks. The consultation between patient and physician will be audio-taped and transcribed. Following the consultation, patients and physicians will complete a set of questionnaires based on the EXACKTE2 model. All questionnaires will be similar for patients and physicians. These questionnaires will assess the key concepts of our proposed model based on the essential elements of shared decision-making (SDM): definition and explanation of problem; presentation of options; discussion of pros and cons; clarification of patient values and preferences; discussion of patient ability and self-efficacy; presentation of doctor knowledge and recommendation; and checking and clarifying understanding. Patients will be contacted by phone two weeks later and asked to complete questionnaires on decisional regret and quality of life. The analysis will be conducted to compare the key concepts in the EXACKTE2 model between patients and physicians. It will also allow the assessment of how patients and physicians influence each other in consultations. Discussion Our proposed model, EXACKTE2, is aimed at advancing the science of KTE based on a relationship process when decision-making has to take place. It fosters a new KTE paradigm by putting forward a relationship-centered perspective and has the potential to reveal unknown mechanisms that underline effective KTE in clinical contexts. This will result in better understanding of the mechanisms that may promote a new generation of knowledge transfer strategies. PMID:19284659

  3. Use of Water Purified by Synthetic Resin Ion-Exchange Methods for the Study of Mineral Deficiencies in Plants

    Microsoft Academic Search

    Eric J. Hewitt

    1946-01-01

    AN adequate supply of highly purified water is an essential requirement for the study of plant nutrition problems, particularly those relating to mineral deficiencies, when experiments are carried out on a large scale. Liebig, Vanselow and Chapman1 in California found that tap water purified by the synthetic resin ion-exchange principle was satisfactory for maintaining healthy growth in citrus and sweet

  4. The effects of configurations on the performance of microchannel counter-flow heat exchangers–An experimental study

    Microsoft Academic Search

    Thanhtrung Dang; Jyh-tong Teng

    2011-01-01

    The influences of configurations on the performance of microchannel heat exchangers were studied experimentally. The parameters associated with geometrical configuration consist of substrate thickness, cross-sectional area, and inlet\\/outlet locations. In order to evaluate the effects of these parameters, two categories of fluid flow conditions (varying the inlet temperature of hot side and varying the mass flow rate of cold side)

  5. ANION EXCHANGE METHOD FOR THE DETERMINATION OF PLUTONIUM IN WATER: SINGLE-LABORATORY EVALUATION AND INTERLABORATORY COLLABORATIVE STUDY

    EPA Science Inventory

    This report gives the results of a single-laboratory evaluation and an interlaboratory collaborative study of a method for determining plutonium in water. The method was written for the analysis of 1-liter samples and involved coprecipitation, acid dissolution, anion exchange, el...

  6. Infrared Study of Water Sorption on Na, Li, Ca, and Mg-Exchanged (SWy1 and SAz-1) Montmorillonite

    Microsoft Academic Search

    Weizong Xu; CLIFF T. JOHNSTON; PAUL PARKER; STEPHEN E AGNEW

    2000-01-01

    An environmental infrared microbalance (EIRM) cell was used to study H20 sorption on two montmorillonite samples as a function of water content and type of exchangeable cation. The vibrational spectra showed that H20 sorbed to the clay at low-water content was strongly influenced by the ex- changeable\\

  7. Study of the Relationship between Leader-Member Exchange (LMX) and Individual Objective Performance within a University Learning Community

    ERIC Educational Resources Information Center

    Aikens, Shontarius D.

    2012-01-01

    The study examined the relationship between leader-member exchange (LMX) and individual objective performance. While the LMX literature suggests a positive correlation between LMX and performance, a closer look at the research examined showed that the performance measurements were based on subjective measurements rather than objective…

  8. Amino acid alphabet Twenty amino acids are used in all proteins with the exception of

    E-print Network

    Park, Sheldon

    other at -20° Hydrogen/deuterium exchange shows that amide protons are shielded from solvent exchange/D) exchange Amide protons constantly exchange with the solvent If the protein is submerged in heavy water (D2O

  9. Numerical Study on Characteristics of a Pre-Cooling He II Heat Exchanger

    SciTech Connect

    Ueno, Y.; Okamura, T. [Tokyo Institute of Technology, Yokohama, Kanagawa, 226-8502 (Japan); Sato, A. [National Institute for Materials Science, Tsukuba, Ibaraki, 305-0047 (Japan)

    2004-06-23

    A numerical analysis has been performed in order to investigate the heat transfer and pressure drop characteristics of a pre-cooling He II heat exchanger. The heat conduction in the pre-cooled helium path in the flow direction was taken into account. Temperature distribution and pressure drop in the heat exchanger have been calculated for various conditions. It was found that a long cooling path is required to pre-cool the helium below the {lambda}-temperature, because of a large value of the He II heat conductivity function. This heat exchanger has an upper limit of mass flow rate. The efficiency of the heat exchanger decreases as the mass flow rate decreases under a small mass flow rate condition.

  10. Comparative Study of Some Layered Hydroxide Salts Containing Exchangeable Interlayer Anions

    NASA Astrophysics Data System (ADS)

    Newman, Steven P.; Jones, William

    1999-11-01

    Anion-exchange reactions of layered Zn, Cu, Ni, or La hydroxide nitrates with the organic anions acetate, terephthalate, and benzoate are compared. Powder X-ray diffraction (PXRD), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetry combined with mass spectrometry (TG-MS) are used to characterize the materials. Exchange of the interlayer nitrate anions for these organic anions is generally possible, although no exchange is observed for the parent nickel hydroxide material. The organo derivatives obtained may be considered inorganic-organic hybrids, consisting of alternating hydroxide and A- layers, where A is the incorporated organic anion. The materials are structurally similar to the layered double hydroxide family of materials, which also exhibit an anion-exchange capacity.

  11. Fundamental characteristics study of anion-exchange PVDF-SiO(2) membranes.

    PubMed

    Zuo, Xingtao; Shi, Wenxin; Yu, Shuili; He, Jiajie

    2012-01-01

    A new type of poly(vinylidene fluoride)(PVDF)-SiO(2) hybrid anion-exchange membrane was prepared by blending method. The anion-exchange groups were introduced by the reaction of epoxy groups with trimethylamine (TMA). Contact angle between water and the membrane surface was measured to characterize the hydrophilicity change of the membrane surface. The effects of nano-sized SiO(2) particles in the membrane-forming materials on the membrane mechanical properties and conductivity were also investigated. The experimental results indicated that PVDF-SiO(2) anion-exchange membranes exhibited better water content, ion-exchange capacity, conductivity and mechanic properties, and so may find potential applications in alkaline membrane fuel cells and water treatment processes. PMID:23032763

  12. Laboratory studies of eddy structures and exchange processes through tidal inlets 

    E-print Network

    Nicolau del Roure, Francisco

    2009-06-02

    The exchange flow through tidal inlets generates two-dimensional large coherent vortical structures (2DLCS), that are much broader than the water depth and exist because of the inherent instability of shallow shear flows. These vortical starting...

  13. Study of parallel and perpendicular exchange biases in FePt-FeMn multilayers

    Microsoft Academic Search

    Nguyen N. Phuoc; Takao Suzuki

    2006-01-01

    A systematic investigation of parallel and perpendicular exchange biases in [FePt\\/FeMn]10 multilayers deposited onto MgO(100) substrates by ion beam sputter-deposition system is performed. The thickness (FeMn) dependences of exchange bias field and blocking temperature are discussed. The blocking temperature increases with the increase of FeMn thickness and becomes nearly constant as the FeMn thickness is beyond a critical value. Of

  14. An experimental study on the thermal performance of ground heat exchanger

    SciTech Connect

    Lim, Kyoungbin; Lee, Sanghoon [Department of Mechanical Engineering, Hanbat University, Daejon (Korea); Lee, Changhee [Department of Mechanical Engineering, Hanyang University, 1271 Sa1 Ansan, Kyungki-do 425791 (Korea)

    2007-08-15

    A knowledge of ground thermal properties is most important for the proper design of large GHE (ground heat exchanger) systems. Thermal response tests have so far been used primarily not only for in situ determination of design data for GHE systems, but also for the evaluation of grout material, heat exchanger types and groundwater effects. The main purpose has been to determine in situ values of effective ground thermal conductivity, including the effect of groundwater flow and natural convection in boreholes. (author)

  15. ION EXCHANGE STUDIES IN CONCENTRATED SOLUTIONS. I. THE ALKALI CATIONS WITH A SULFONIC ACID RESIN

    Microsoft Academic Search

    D. C. Whitney; R. M. Diamond

    1962-01-01

    An investigation of the cation exchange behavior on Dowex-50W (sulfonic-; acid type) resin of Na, Rb, and Cs traccrs in 0.1 M to saturated solutions of ; HClOâ, HCl, HNOâ, HCâHgOâ, the corresponding Li salts, ; and CsCl was made. The exchange in dilute solutions is discussed in terms of the ; competition for solvation of the cation between water

  16. Application of AVHRR vegetation index to study atmosphere-biosphere exchange of CO2

    NASA Technical Reports Server (NTRS)

    Fung, I. Y.; Tucker, C. J.; Prentice, K. C.

    1985-01-01

    The Advanced Very High Resolution Radiometer (AVHRR) satellite-borne sensor is presently used, together with field data, to determine the geographic distributions of the seasonal exchange of CO2 between the earth's atmosphere and the terrestrial biota. The exchange functions thus obtained are validated in virtue of the ability to reproduce the observed annual cycle of atmospheric CO2 in a three-dimensional tracer transport model. The AVHRR is carried by the TIROS-N series of polar-orbiting satellites.

  17. Simulating Forest Productivity and Surface-Atmosphere Carbon Exchange in the Boreas Study Region

    Microsoft Academic Search

    JOHN S. KIMBALL; PETER E. THORNTON; MIKE A. WHITE; STEVEN W. RUNNING; H. A. Margolis; M. G. Ryan

    1997-01-01

    Summary A process-based, general ecosystem model (BI- OME--BGC) was used to simulate daily gross primary produc- tion, maintenance and heterotrophic respiration, net primary production and net ecosystem carbon exchange of boreal as- pen, jack pine and black spruce stands. Model simulations of daily net carbon exchange of the ecosystem (NEE) explained 51.7% (SE = 1.32 g C m -2 day

  18. Experimental study of heat and mass transfer in a buoyant countercurrent exchange flow

    NASA Astrophysics Data System (ADS)

    Conover, Timothy Allan

    Buoyant Countercurrent Exchange Flow occurs in a vertical vent through which two miscible fluids communicate, the higher-density fluid, residing above the lower-density fluid, separated by the vented partition. The buoyancy- driven zero net volumetric flow through the vent transports any passive scalars, such as heat and toxic fumes, between the two compartments as the fluids seek thermodynamic and gravitational equilibrium. The plume rising from the vent into the top compartment resembles a pool fire plume. In some circumstances both countercurrent flows and pool fires can ``puff'' periodically, with distinct frequencies. One experimental test section containing fresh water in the top compartment and brine (NaCl solution) in the bottom compartment provided a convenient, idealized flow for study. This brine flow decayed in time as the concentrations approached equilibrium. A second test section contained fresh water that was cooled by heat exchangers above and heated by electrical elements below and operated steadily, allowing more time for data acquisition. Brine transport was reduced to a buoyancy- scaled flow coefficient, Q*, and heat transfer was reduced to an analogous coefficient, H*. Results for vent diameter D = 5.08 cm were consistent between test sections and with the literature. Some results for D = 2.54 cm were inconsistent, suggesting viscosity and/or molecular diffusion of heat become important at smaller scales. Laser Doppler Velocimetry was used to measure velocity fields in both test sections, and in thermal flow a small thermocouple measured temperature simultaneously with velocity. Measurement fields were restricted to the plume base region, above the vent proper. In baseline periodic flow, instantaneous velocity and temperature were ensemble averaged, producing a movie of the average variation of each measure during a puffing flow cycle. The temperature movie revealed the previously unknown cold core of the puff during its early development. The renewal-length model for puffing frequency of pool fire plumes was extended to puffing countercurrent flows by estimating inflow dilution. Puffing frequencies at several conditions were reduced to Strouhal number based on dilute plume density. Results for D = 5.08 cm compared favorably to published measurements of puffing pool fires, suggesting that the two different flows obey the same periodic dynamic process.

  19. A Numerical Study of Circulation and Water Exchange in the Arabian Gulf

    NASA Astrophysics Data System (ADS)

    Azhar, Muchamad Al; Temimi, Marouane; Zhao, Jun; Ghedira, Hosni

    2015-04-01

    Ocean circulation and water mass variability in semi-enclosed and marginal sea of the Arabian Gulf are numerically simulated using a three-dimensional model of Regional Ocean Modeling System (ROMS). The model is forced by relatively high-frequency of atmospheric forcing and tides. The numerical simulations are compared with a set data of moored and spatially distributed measurements of temperature, salinity, current velocity, and sea-surface height. The model results generally agree well with temporal variation of the observed current velocity during spring and neap tide, as well as seasonal variation of temperature and salinity in surface and sub-surface depths. Seasonal variability of water mass and circulation in the Arabian Gulf affected by the propagation of Indian Ocean Surface Water to the Arabian Gulf, air-sea heat fluxes, and mesoscale eddy activities are discussed. Sensitivity study using different source of atmospheric data for forcing of the model, as well as climatology data and global ocean model for specifying values in open boundaries of the model are conducted towards implementation of the model operationally. Further development of the model by coupling it with atmospheric model most likely will increase the skill of the model and provide better understanding on how the complex air-sea interaction affecting circulation and water mass exchange in this region.

  20. Study of scale-removal methods in a double-pipe heat exchanger

    SciTech Connect

    Cho, Y.I.; Liu, R.; McFarland, W.J.; Fusegni, L.

    2000-06-01

    The objective of the present study was to examine the effectiveness of four cleaning methods for the removal of tube-side fouling in a double-pipe heat exchanger. The four cleaning methods are (1) hydrolazing with 10,000-psi head pressure, (2) hydrolazing with 20,000-psi head pressure, (3) chemical cleaning, and (4) brush punching. Fouled tubes were prepared using water from a cooling tower. Each test started with a brand new tube. When the overall heat transfer coefficient dropped by 40% from the initial peak value, scales in the fouled tubes were removed using one of the above four methods. Both the overall heat transfer coefficient and inside diameter were measured before and after fouling, by which the effectiveness of a particular cleaning method was evaluated. The chemical cleaning method was found to be most effective, whereas the brush punching was least effective. When a fouled tube was kept dry, brush punching completely removed scales, indicating that surface wetness plays an important role in scale removal.

  1. The importance of the finite-temperature exchange-correlation for warm dense matter studies

    NASA Astrophysics Data System (ADS)

    Karasiev, V. V.; Trickey, S. B.

    2015-03-01

    Matter at extremely elevated temperature (thousands to millions Kelvin) under a wide range of pressures usually is treated by ab initio molecular dynamics driven by free-energy DFT. Whether in the Kohn-Sham or orbital-free forms, implementation requires a reliable exchange-correlation (XC) free energy approximation. Finite-temperature Hartree-Fock calculations suggest strongly that the explicit T-dependence of X is important. The recently developed first rung XC free-energy functional, the finite-T local density approximation (LDA), captures that explicit T-dependence for the homogeneous electron gas. We report study of the impact of explicit T-dependence in the LDA on the properties of matter in the warm dense regime and conclude that there is a need to develop a T-dependent and density gradient-dependent XC functional. Next, we analyze the finite-T gradient expansion for X and C, extract from it the appropriate reduced density gradients for X and C with explicit T-dependence, introduce the next-rung GGA XC free-energy functionals, and discuss their behavior and properties. Work supported by U.S. Dept. of Energy, Grant DE-SC0002139.

  2. Solar Wind Charge Exchange Studies of Highly Charged Ions on Atomic Hydrogen

    SciTech Connect

    Draganic, Ilija N [ORNL; Seely, D. G. [Albion College; McCammon, D [University of Wisconsin, Madison; Havener, Charles C [ORNL

    2011-01-01

    Accurate studies of low energy charge exchange (CX) are critical to understanding underlying soft X ray radiation processes in the interaction of highly charged ions from the solar wind with the neutral atoms and molecules in the heliosphere, cometary comas, planetary atmospheres, interstellar winds, etc.. Particularly important are the CX cross sections for bare, H like, and He like ions of C, N, O and Ne, which are the dominant charge states for these heavier elements in the solar wind. Absolute total cross sections for single electron capture by H like ions of C, N, O and fully stripped O ions from atomic hydrogen have been measured in an expanded range of relative collision energies (5 eV u 20 keV u) and compared to previous H oven measurements. The present measurements are performed using a merged beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source installed on a high voltage platform at the Oak Ridge National Laboratory. For the collision energy range of 0.3 keV u 3.3 keV u, which corresponds to typical ion velocities in the solar wind, the new measurements are in good agreement with previous H oven measurements. The experimental results are discussed in detail and compared with theoretical calculations where available.

  3. Study and verification of the superposition method used for determining the pressure losses of the heat exchangers

    NASA Astrophysics Data System (ADS)

    Petru, Michal; Kulhavy, Petr; Srb, Pavel; Rachitsky, Gary

    2015-05-01

    This paper deals with study of the pressure losses of the new heat convectors product line. For all devices connected to the heating circuit of the building, it`s required to declare a tabulated values of pressure drops. The heat exchangers are manufactured in a lot of different dimensions and atypical shapes. An individual assessment of the pressure losses for each type is very time consuming. Therefore based on the resulting data of the experiments and numerical models, an electronic database was created that can be used for calculating the total values of the pressure losses in the optionally assembled exchanger. The measurements are standardly performed by the manufacturer Licon heat hydrodynamic laboratory and the numerical models are carried out in COMSOL Multiphysics. Different variations of the convectors geometry cause non-linear process of energy losses, which is proportionately about 30% larger for the smaller exchanger than for the larger types. The results of the experiments and the numerical simulations were in a very good conjuncture. Considerable influence of the water temperature onto the total size of incurred energy losses has been proven. This is mainly caused by the different ranges of the Reynolds number depending on the viscosity of the used liquid. Concerning to the tested method of superposition, it is not possible to easily find the characteristic values appropriate for the each individual components of the heat exchanger. Every of the components behaves differently, depend on the complexity of the exchanger. However, the correction coefficient, depended on the matrix of the exchanger, that is suitable for the entire range of the developed product line has been found.

  4. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics

    NASA Astrophysics Data System (ADS)

    Göltl, Florian; Hafner, Jürgen

    2012-02-01

    The structural and energetic properties of purely siliceous, proton-, and Cu- and Co-exchanged chabazite have been studied using periodic density-functional (DFT) calculations with both conventional gradient-corrected exchange-correlation functionals and hybrid functionals mixing exact (i.e., Hartree-Fock) and DFT exchange. Spin-polarized and fixed-moment calculations have been performed to determine the equilibrium and excited spin-configurations of the metal-exchanged chabazites. For the purely siliceous chabazite, hybrid functionals predict a slightly more accurate cell volume and lattice geometry. For isolated Al/Si substitution sites, gradient-corrected functionals predict that the lattice distortion induced by the substitution preserves the local tetrahedral symmetry, whereas hybrid functionals lead to a distorted Al coordination with two short and two long Al-O bonds. Hybrid functionals yield a stronger cation-framework binding that conventional functionals in metal-exchanged zeolites, they favor shorter cation-oxygen bonds and eventually also a higher coordination of the cation. Both types of functionals predict the same spin in the ground-state. The structural optimization of the excited spin-states shows that the formation of a high-spin configuration leads to a strong lattice relaxation and a weaker cation-framework bonding. For both Cu- and Co-exchanged chabazite, the prediction of a preferred location of the cation in a six-membered ring of the zeolite agrees with experiment, but the energy differences between possible cation locations and the lattice distortion induced by the Al/Si substitution and the bonding of the cation depends quite significantly on the choice of the functional. All functionals predict similar energy differences for excited spin states. Spin-excitations are shown to be accompanied by significant changes in the cation coordination, which are more pronounced with hybrid functionals. The consequences of electronic spectra and chemical reactivity are analyzed in the following papers.

  5. A modelling study of hyporheic exchange pattern and the sequence, size, and spacing of stream bedforms in mountain stream networks, Oregon, USA

    Microsoft Academic Search

    Michael N. Gooseff; Justin K. Anderson; Steven M. Wondzell; Justin LaNier; Roy Haggerty

    2006-01-01

    Studies of hyporheic exchange flows have identified physical features of channels that control exchange flow at the channel unit scale, namely slope breaks in the longitudinal profile of streams that generate subsurface head distributions. We recently completed a field study that suggested channel unit spacing in stream longitudinal profiles can be used to predict the spacing between zones of upwelling

  6. Studies on the kinetics of Na + \\/H + exchange in OK cells: Introduction of a new device for the analysis of polarized transport in cultured epithelia

    Microsoft Academic Search

    Danuta Krayer-Pawlowska; Corinna Helmle-Kolb; Marshall H. Montrose; Reto Krapf; Heini Murer

    1991-01-01

    Summary The present study describes a new perfusion technique—based on the use of a routine spectrofluorometer—which enables fluorometric evaluation of polarity, regulation and kinetics of Na+\\/H+ exchange at the level of an intact monolayer. Na+\\/ H+ exchange was evaluated in bicarbonate-free solutions in OK (opossum kidney) cells, a renal epithelial cell line. Na+\\/H+ exchange activity was measured by monitoring changes

  7. Plasma-exchange treatment for severe carbamazepine intoxication: a case study.

    PubMed

    Kozanoglu, Ilknur; Kahveci, Suat; Asma, Suheyl; Yeral, Mahmut; Noyan, Aytul; Boga, Can; Ozdogu, Hakan

    2014-06-01

    Acute poisoning is an important cause of morbidity and mortality during childhood. This manuscript reports the positive outcome of a pediatric case with a history of accidental carbamazepine intake treated using plasma exchange. A 3-year-old male presented with severe carbamazepine intoxication. He was comatose and had generalized tonic clonic seizure, ventricular tachycardia, and hypotension. Although he did not respond to classical therapies, we performed two sessions of plasma exchange. The patient recovered rapidly and was discharged from the hospital six days from the time of carbamazepine ingestion with no complication or neurologic impairment. Plasma exchange can be performed safely in very small children, and it might be the first line treatment, particularly for intoxication with drugs that have high plasma-protein-binding properties. PMID:24136443

  8. Laboratory studies of exchange between a polar and a subpolar basin

    SciTech Connect

    Hunkins, K.

    1992-03-01

    Experiments on the exchange of a freshwater surface layer between two basins in a rotating tank demonstrate the contrasting roles of wind and buoyancy forces. Buoyancy-driven exchange occurs primarily in narrow boundary currents along the walls. Wind-driven exchange has a complex flow pattern with net transfer controlled by the sign of wind stress curl. Freshwater is transferred from the basin with positive curl to the one with negative curl. These results are related to freshwater flow from the Arctic Ocean to the Greenland Sea in which the southward flow of freshwater under buoyancy forces may be either increased or decreased by wind stress depending upon the sign of the curl. At present there is a negative stress curl over the Arctic Ocean which leads to a deep surface layer and no deep convection while opposite conditions in the Greenland Sea tend to remove the surface layer and allow deep convection.

  9. STUDY OF INDUSTRIAL ION EXCHANGE SEPARATION OF RARE EARTH ELEMENTS BY EDTA COPPER METHOD. VII. MODELS OF INDUSTRIAL ION EXCHANGE TOWERS

    Microsoft Academic Search

    Nishigori

    1961-01-01

    Two new models of ion exchange towers were constructed: one hopper type, ; the other cylinder type\\/su Results of tests on the scale models indicate they can ; be scaled-up for industrial processes. (P.C.H.);

  10. Performance study of the TFTR diagnostic neutral beam for active charge exchange measurements

    SciTech Connect

    Medley, S.S.; Goldston, R.J.; Towner, H.H.

    1980-06-01

    A neutral beam source will be incorporated in the Tokamak Fusion Test Reactor (TFTR) charge exchange diagnostic to provide a time modulated, spatially localized enhancement of the charge exchange efflux. Two autonomous Charge Exchange Neutral Analyzer (CENA) systems are being designed for the TFTR. One system measures the plasma ion temperature along twelve vertical line-of-sight chords spaced approximately equidistantly across the torus minor diameter. The other system is dedicated primarily to measurement of ion phenomena associated with neutral beam injection heating and has a fan-like field of view along eight sight-lines in the equitorial plane. The neutral beam is steerable in order to access the viewing field of both CENA systems, though in general not simultaneously. The performance of the diagnostic neutral beam is evaluated to determine the optimal beam specifications for active charge exchange measurements. Using the optimal beam design parameters, the efficacy of the neutral doping is examined for both CENA systems over the envisioned range of the TFTR plasma density and temperature.

  11. Monte Carlo study of a two-compartment exchange model of diffusion†

    PubMed Central

    Fieremans, Els; Novikov, Dmitry S.; Jensen, Jens H.; Helpern, Joseph A.

    2010-01-01

    Multisite exchange models have been applied frequently to quantify measurements of transverse relaxation and diffusion in living tissues. Although the simplicity of such models is attractive, the precise relationship of the model parameters to tissue properties may be difficult to ascertain. Here, we investigate numerically a two-compartment exchange (Kärger) model as applied to diffusion in a system of randomly packed identical parallel cylinders with permeable walls, representing cells with permeable membranes, that may serve particularly as a model for axons in the white matter of the brain. By performing Monte Carlo simulations of restricted diffusion, we show that the Kärger model may provide a reasonable coarse-grained description of the diffusion-weighted signal in the long time limit, as long as the cell membranes are sufficiently impermeable, i.e. whenever the residence time in a cell is much longer than the time it takes to diffuse across it. For larger permeabilities, the exchange time obtained from fitting to the Kärger model overestimates the actual exchange time, leading to an underestimated value of cell membrane permeability. PMID:20882537

  12. Kinetics and thermodynamics studies of copper exchange on Na–montmorillonite clay mineral

    Microsoft Academic Search

    Mervette El-Batouti; Olfat M. Sadek; Fayez F. Assaad

    2003-01-01

    The kinetics of Cu ion exchange on Na–montmorillonite clay has been investigated at 20, 30, and 40°C in water, methanol, and ethanol. The reaction is endothermic in nature. Solvent effects on the reaction rate have been discussed. The thermodynamic activation parameters were calculated and discussed in terms of solvation effects. A multiple reaction rate order equation was used to describe

  13. Study Abroad Programs: Elements of Effective International Student and Faculty Exchange Programs. CRB 09-006

    ERIC Educational Resources Information Center

    Martin, Pam

    2009-01-01

    As part of Assembly Concurrent Resolution 146 (Solorio), the California Research Bureau was asked to report on the programmatic and funding elements of an effective international student and faculty exchange program, including good practices nationally, with an emphasis on public higher education institutions in California and Mexico. The CRB…

  14. Comparative study of rotating regenerators and heat-pipe heat exchangers

    NASA Astrophysics Data System (ADS)

    MacMichael, D. B. A.; Reay, D. A.; Foster, E. L.

    1980-07-01

    A heat wheel was purchased and installed for air to air heat recovery on a Terylene fiber drying and setting oven at ICI Wilton. At the same time a heat pipe heat exchanger was prepared at IRD and tested under controlled conditions. The heat wheel was then replaced by the heat pipe unit. During this procedure measurements were made regularly to monitor the performance of the oven and the heat exchangers. Neither of the heat exchangers attained their rated conditions. It was concluded that recuperative energy conservation is technically and economically feasible, provided that attention is paid to the problems of air flow control and minimizing installation costs. It was also realized that a good saving could be made by paying attention to stray leaks from the oven and by reducing the exhaust air flow from the setting sections. On the question of comparative performance of the two heat exchangers it is not possible to propose that one type is preferable to the other, although the heat wheel created more problems in respect of maintaining airflow.

  15. A study of hard:soft layer ratios and angular switching in exchange coupled media

    Microsoft Academic Search

    A. Baker; M. Billard; K. Brown; A. Goadsby; S. Green; C. Howard; S. Kodippili; A. Newton; X. Ning; M. Stead; L. Vallance; L. Zang; D. A. Allwood; M. T. Bryan; J. Dean

    2009-01-01

    We have performed micromagnetic simulations to investigate the magnetic behavior of exchange spring grains for hard disk recording applications. The thickness ratio between magnetically hard and soft layers was varied while the soft layer anisotropy was altered to maintain a suitable energy barrier between opposite magnetization states. The minimum required magnetic field for switching a grain and the corresponding field

  16. Heat transfer and flow studies of the liquid droplet heat exchanger

    Microsoft Academic Search

    A. P. Bruckner; A. Shariatmadar

    1987-01-01

    This paper describes a lightweight, highly effective liquid droplet heat exchanger (LDHX) concept for thermal management in space. Heat is transferred by direct contact between fine droplets (100 to 300 micron diameter) of a low vapor pressure liquid and an inert working gas. Complete separation of the droplet and gas media in the microgravity environment is accomplished by configuring the

  17. Magneto-optical indicator film study of the hybrid exchange spring formation and evolution processes

    Microsoft Academic Search

    V. I. Nikitenko; V. S. Gornakov; Yu. P. Kabanov; A. J. Shapiro; R. D. Shull; C. L. Chien; J. S. Jiang; S. D. Bader

    2003-01-01

    The elementary events of the remagnetization processes in nanocomposite magnetic bilayers were investigated using iron-garnet indicator films with in-plane anisotropy. We have observed hybrid domain walls consisting of both ferromagnetic and antiferromagnetic sections perpendicular to the interface. The external magnetic field shifts only the ferromagnetic part of the domain walls. This leads to the formation of a hybrid exchange spin

  18. Tank 241-AZ-102 SuperLig 639 Technetium Ion Exchange Eluate Evaporation Study

    Microsoft Academic Search

    2001-01-01

    As part of the Hanford River Protection Project (RPP), the Savannah River Technology Center (SRTC) has conducted tests on the pretreatment and vitrification of a radioactive waste sample from Hanford Tank 241-AZ-102. The original, AZ-102 sample which was received at SRTC was characterized and filtered to remove entrained solids.1 The sample was then passed sequentially through ion exchange columns containing

  19. Corporate Control: A Study of Firms on the Bucharest Stock Exchange

    Microsoft Academic Search

    2002-01-01

    This article analyzes the ownership structure of firms listed on the Bucharest Stock Exchange (BSE) over the period 1998-2000. The history of the BSE is briefly described, showing its similarity to other post-socialist countries in terms of small size and low liquidity of the market, and contrasting it with countries that have developed market economies. Measures of ownership concentration reveal

  20. Perturbed angular correlation study of the ion exchange of indium into silicalite zeolites

    NASA Astrophysics Data System (ADS)

    Ramallo-López, J. M.; Requejo, F. G.; Rentería, M.; Bibiloni, A. G.; Miró, E. E.

    1999-09-01

    Two indium-containing silicalite zeolites (In/H ZSM5) catalysts prepared by wet impregnation and ionic exchange were characterized by the Perturbed Angular Correlation (PAC) technique using 111In as probe to determine the nature of the indium species. Some of these species take part in the catalytic reaction of the selective reduction (SCR) of NOx with methane. PAC experiments were performed at 500ºC in air before and after reduction reoxidation treatments on the catalysts in order to determine the origin of the different hyperfine interactions and then the degree of ionic exchange. Complementary catalytic activity characterizations were also performed. PAC experiments performed on the catalyst obtained by wet impregnation showed that all In-atoms form In2O3 crystallites while almost 70% of In-atoms form In2O3 in the catalyst obtained by ionic exchange. The PAC experiments of both catalysts performed after the reduction reoxidation treatment revealed the presence of two hyperfine interactions, different from those corresponding to indium in In2O3. These hyperfine interactions should be associated to disperse In species responsible of the catalytic activity located in the ionic exchange-sites of the zeolites.

  1. Ferromagnetic resonance studies of exchange coupled ultrathin Py/Cr/Py trilayers

    NASA Astrophysics Data System (ADS)

    Topkaya, R.; Erkovan, M.; Öztürk, A.; Öztürk, O.; Akta?, B.; Özdemir, M.

    2010-07-01

    Magnetic properties of ultrathin Py/Cr/Py trilayers have been investigated as a function of Cr spacer layer thickness by using ferromagnetic resonance (FMR) and vibrating sample magnetometer (VSM) techniques. The Cr spacer layer thickness was increased from 4 to 40 Å with 1 Å steps to determine the dependence of interlayer exchange coupling between ferromagnetic layers on the spacer layer thickness. Two strong and well resolved peaks were observed which correspond to a strong (acoustic) and weak (optic) modes of magnetization precession in the effective dc field due to the exciting external microwave field as the external dc field orientation comes close to the film normal. The separation of the two modes in the field axis depends on the thickness of Cr spacer layer. An interchange in the relative positions of the acoustic and optic modes has been observed for a particular thickness of Cr spacer layer as well. A computer program for magnetically exchange coupled N magnetic layers was written to simulate the experimental FMR spectra and to obtain the magnetic parameters of ultrathin Py/Cr/Py trilayers. FMR data have been analyzed from every aspect by using this program and interlayer exchange coupling constant was calculated for the prepared structures. It was found that the relative position of the peaks depends on the nature (sign) of the interlayer exchange coupling between ferromagnetic layers through Cr spacer layer. In Py/Cr/Py trilayers, strength of the interlayer exchange coupling constant oscillates and changes its sign with Cr spacer layer thickness with a period of about 11 Å.

  2. An experimental study of on?line computer control techniques applied to a double pipe heat exchanger

    Microsoft Academic Search

    1986-01-01

    Three different on?line computer control methods, namely the identification and optimizing control technique, the direct design method and the digital form of P?I?D control, are applied to control the response of a double pipe heat exchanger. The relative merits of the methods are studied and discussed.The experimental work is accomplished by the use of a HP?1000 model 5L microcomputer. A

  3. Parametric study of a capillary tube-suction line heat exchanger in a transcritical CO 2 heat pump cycle

    Microsoft Academic Search

    Neeraj Agrawal; Souvik Bhattacharyya

    2008-01-01

    The capillary tube in a transcritical CO2 system behaves differently as temperature and pressure are two independent parameters unlike those in a sub-critical cycle. A capillary tube-suction line heat exchanger (CL-SLHX) in a transcritical vapour compression cycle considering homogeneous two-phase flow is modelled in this study based on mass, energy and momentum equations. Effects of gas cooler temperature, evaporator temperature

  4. Use of amide exchange mass spectrometry to study conformational changes within the endopolygalacturonase II-homogalacturonan-polygalacturonase inhibiting protein system

    Microsoft Academic Search

    Daniel King; Carl Bergmann; Ron Orlando; Jacques A. E. Benen; Harry C. M. Kester; Jaap Visser

    2002-01-01

    Amide exchange mass spectrometry (MS) was used to study the enzyme endopolygalacturonase II (EPG-II) from Aspergillus niger as it binds to an oligosaccharide substrate. A localized decrease in the level of deuterium incorporation in EPG-II of the EPG-II-oligosaccharide complex relative to that of the free EPG-II identified the location of substrate contact, which is in agreement with published site specific

  5. Experimental study on the heat transfer enhancement of MWNT-water nanofluid in a shell and tube heat exchanger

    Microsoft Academic Search

    R. Lotfi; A. M. Rashidi; A. Amrollahi

    Heat transfer enhancement of multi-walled carbon natube(MWNT)\\/water nanofluid in a horizontal shell and tube heat exchanger has been studied experimentally. Carbon nanotubes were synthesized by the use of catalytic chemical vapor deposition (CCVD) method over Co–Mo\\/MgO nanocatalyst. Obtained MWNTs were purified using a three stage method. COOH functional groups were inserted for making the nanotubes hydrophilic and increasing the stability

  6. Fluorescence studies of exchangeable apolipoprotein-lipid interactions. Superficial association of apolipophorin III with lipoprotein surfaces.

    PubMed

    Sahoo, D; Narayanaswami, V; Kay, C M; Ryan, R O

    1998-01-16

    Apolipophorin III (apoLp-III) from the Sphinx moth, Manduca sexta, is an 18-kDa exchangeable apolipoprotein that reversibly associates with lipoprotein particles. In the absence of lipid, apoLp-III exists as an elongated bundle of five amphipathic alpha-helices. Upon lipid association, the protein is postulated to undergo a major conformational change, wherein the bundle opens around hinge loop regions, resulting in exposure of its hydrophobic interior. Fluorescence quenching techniques have been employed to study apoLp-III helix topography and spatial arrangement in phospholipid disc complexes and intact lipoprotein particles. Intrinsic fluorescence of the single tyrosine in apoLp-III was exploited to monitor the location of helix 5 in model disc complexes. To investigate other regions of the protein, site-directed mutagenesis was performed to introduce cysteine residues, replacing Asn-40 (helix 2, N40C) or Leu-90 (helix 3, L90C), thereby providing two mutant apoLp-IIIs, each with a single site for covalent attachment of the extrinsic fluorescent probe, N-(1-pyrene) maleimide. In the lipid-free state, pyrene-N40C- and pyrene-L90C-apoLp-III were highly accessible to the negatively charged aqueous quencher KI, yielding Ksv values of 27.1 and 19.8 M-1, respectively. Upon binding to the surface of a spherical lipoprotein particle, Ksv values for KI decreased by about 90% for both pyrene-labeled apoLp-IIIs, indicating a significant change in the local microenvironment of the fluorophores. A lesser decrease in Ksv was observed when the pyrene-labeled apoLp-IIIs were bound to phospholipid disc complexes. When spin-labeled fatty acids 5-doxylstearic acid and 12-doxylstearic acid were used as lipophilic quenchers, tyrosine and pyrene fluorescence were more effectively quenched by 5-doxylstearic acid in both phospholipid bilayer disc complexes and spherical lipoprotein particles. These data provide insight into the spatial topography of apoLp-III alpha-helices in phospholipid disc complexes and support the concept that interaction with spherical lipoprotein particles results in superficial contact of apoL-III helical segments with the monolayer surface, providing a basis for its reversible binding ability. PMID:9430675

  7. Report on the round table session on: Near surface analysis and charge exchange studies with high-resolution spectrographs

    NASA Astrophysics Data System (ADS)

    Boerma, D. O.

    1998-03-01

    This note is a report on the round table session on near-surface analysis and charge exchange studies with high-resolution spectrographs, with contributions from: H.D. Carstanjen, Max-Planck Institut für Metallforschung, Stuttgart, Germany (see separate contribution to these proceedings, H.D. Carstanjen, Overview of existing high resolution spectrographs.). P. Sigmund, Physics Department, Odense University, Denmark (see separate contribution to these proceedings, P. Sigmund, L. Glazov, Energy loss and charge exchange: Statistics and atomistics.). W.M. Arnoldbik, Debye Institute, Utrecht University, The Netherlands G. Dollinger, Technical University Munich, Germany K. Kimura, Department of Engineering Science, Kyoto University, Japan O. Kruse, Forschungszentrum Rossendorf, Dresden, Germany T. Gustafsson, Dept. of Physics and Astronomy, Rutgers University, Piscataway, USA I. Yamada, Dept of Ion Beam Engineering, Kyoto University, Japan R. Behrisch, Max Planck Institut für Plasmaphysik, Garching, Germany

  8. Thermodynamic study of the interaction between linear plasmid DNA and an anion exchange support under linear and overloaded conditions.

    PubMed

    Aguilar, P A; Twarda, A; Sousa, F; Dias-Cabral, A C

    2014-11-01

    Anion-exchange chromatography has been successfully used in plasmid DNA (pDNA) purification. However, pDNA adsorption mechanism using this method is still not completely understood, and the prediction of the separation behavior is generally unreliable. Flow microcalorimetry (FMC) has proven its ability to provide an improved understanding of the driving forces and mechanisms involved in the adsorption process of biomolecules onto several chromatographic systems. Thus, using FMC, this study aims to understand the adsorption mechanism of linear pDNA (pVAX1-LacZ) onto the anion-exchange support Fast Flow (FF) Q-Sepharose. Static binding capacity studies have shown that the mechanism of pDNA adsorption onto Q-Sepharose follows a Langmuir isotherm. FMC experiments resulted in thermograms that comprised endothermic and exothermic heats. Endothermic heat major contributor was suggested to be the desolvation process. Exothermic heats were related to the interaction between pDNA and Q-Sepharose primary and secondary adsorption. Furthermore, FMC revealed that the overall adsorption process is exothermic, as expected for an anion-exchange interaction. Nevertheless, there are evidences of the presence of nonspecific effects, such as reorientation and electrostatic repulsive forces. PMID:25465014

  9. ION EXCHANGE

    EPA Science Inventory

    The IONEX program's name is a contraction of "ion exchange." The IONEX program performs calculations related to removing radium and/or uranium from water with the ion exchange process. IONEX provides a quick method of calculating whether a proposed ion exchange process will m...

  10. Pseudogap and Superconductivity in Iron-Based Layered Superconductor Studied by Fluctuation-Exchange Approximation

    Microsoft Academic Search

    Hiroaki Ikeda

    2008-01-01

    We investigate interplay between magnetic fluctuations and superconductivity in the effective five-band Hubbard model for iron-oxypnictide superconductors on the basis of the fluctuation-exchange approximation. As for the normal-state properties, we find the pseudogap behavior in the NMR relaxation rate and the spectral weight in the electron-doped region, while we cannot find such behavior in the hole-doped region. The pseudogap behavior

  11. Role of heat exchangers in helium liquefaction cycles: Simulation studies using Collins cycle

    Microsoft Academic Search

    Rijo Jacob Thomas; Parthasarathi Ghosh; Kanchan Chowdhury

    Energy efficiency of large-scale helium liquefiers generally employed in fusion reactors and accelerators is determined by the performance of their constituting components. Simulation with Aspen HYSYS® V7.0, a commercial process simulator, helps to understand the effects of heat exchanger parameters on the performance of a helium liquefier. Effective UA (product of overall heat transfer coefficient U, heat transfer surface area

  12. A study on the exchange coupling of NdFeB-type nanocomposites using Henkel plots

    Microsoft Academic Search

    Q. Chen; B. M. Ma; B. Lu; M. Q. Huang; D. E. Laughlin

    1999-01-01

    The phase transformation and magnetic properties of (Nd0.95La0.05)9.5FebalCo5Nb2B10.5 nanocomposite have been investigated systematically via thermomagnetic analysis, vibration sample magnetometer, x-ray diffraction, and conventional transmission electron microscopy. The Henkel plot was employed to quantify the strength of the exchange coupling between the hard and soft magnetic phases in the as-spun and the thermally treated samples. It was found that remanence Br,

  13. Studies of interlayer exchange coupling in Fe\\/Cu\\/Fe ultrathin heterostructures

    Microsoft Academic Search

    M. Kowalewski; B. Heinrich; J. F. Cochran; P. Schurer

    1997-01-01

    The interlayer exchange coupling has been investigated in trilayer structures where two coupled Fe layers were separated by a modified Cu spacer. The multilayer heterostructures investigated in this article have the following general structure: Fe1\\/kCu\\/lXcCu1?c\\/mCu\\/Fe2, where XcCu1?c indicates one atomic layer of Cu atoms alloyed with foreign X atoms of concentration c. Fe1 and Fe2 indicate bottom and top ferromagnetic

  14. Exchange bias studies of NiFe\\/FeMn\\/NiFe trilayer by ion beam etching

    Microsoft Academic Search

    V. K. Sankaranarayanan; D. Y. Kim; S. M. Yoon; C. O. Kim; C. G. Kim

    2005-01-01

    Effect of low energy ion beam etching on exchange bias in NiFe\\/FeMn\\/NiFe trilayer is investigated in multilayers prepared by rf magnetron sputtering. Stepwise etching and magnetization measurement of FeMn layer in an NiFe\\/FeMn bilayer show increase of bias as etching proceeds and FeMn thickness decreases. The bias show a maximum around 7 nm FeMn thickness and then fall sharply below

  15. Studying heat exchange of dispersion-drop gas-liquid flow in granular layer

    Microsoft Academic Search

    N. A. Kuzin; V. A. Kuz'min; A. V. Kulikov; A. B. Shigarov

    1994-01-01

    Conclusions  Experimental procedure has been developed for physical modeling of monopropellant decomposition in a catalytic packet upon\\u000a limiting stage of the process, i.e., during evaporation of a liquid in drop conditions. Heat exchange of liquid drops in a\\u000a catalyst layer heated to high temperatures has been analyzed. Experimental dependence of a volume heat transfer coefficient\\u000a on grain diameter, liquid flow rate

  16. The Relationship between Corporate Governance Indicators and Firm Value : A Case Study of Karachi Stock Exchange

    Microsoft Academic Search

    Attiya Y. Javed; Robina Iqbal

    2007-01-01

    We investigated whether differences in quality of firm-level corporate governance can explain the firm-level performance in a cross-section of companies listed at Karachi Stock Exchange. Therefore, we analysed the relationship between firm-level value as measured by Tobins Q and total Corporate Governance Index (CGI) and three sub-indices : Board, Shareholdings and Ownership, and Disclosures and Transparency for a sample of

  17. The current situation of the study on twisted tape inserts in pipe exchangers

    NASA Astrophysics Data System (ADS)

    Man, Changzhong; Wang, Chong; Yao, Jinyu

    2014-12-01

    Heat transfer enhancement is used in many applications including heat exchangers, air conditioning, and refrigeration systems; hence many researchers have conducted experimental and numerical researches on heat transfer enhancement and have developed various techniques and methods. As a passive heat transfer technique, twisted tapes are widely used in various industries for their cost savings, lower maintenance requirements and the fact that they are easily set up. This paper introduces the principle of heat transfer enhancement of twisted tapes and reviews some of the experimental works done by researchers on this technique in recent years. The variously modified twisted tape inserts are widely researched and used to enhance heat transfer efficiency for heat exchangers. Twisted tapes perform better in low Re conditions and in square tubes. However, they could also cause higher pressure drops. Twisted tapes have great potential and profound implications if they can be used in traditional heat exchangers. Besides this, some correlations between the Nusselt number and friction factors are presented in this paper.

  18. IMPACT OF SMALL COLUMN ION EXCHANGE STREAMS ON DWPF GLASS FORMULATION MELT RATE STUDIES

    SciTech Connect

    Fox, K.; Miller, D.; Koopman, D.

    2011-04-26

    This study was undertaken to evaluate the potential impacts of the Small Column Ion Exchange (SCIX) streams - particularly the addition of Monosodium Titanate (MST) and Crystalline Silicotitanate (CST) - on the melt rate of simulated feed for the Defense Waste Processing Facility (DWPF). Additional MST was added to account for contributions from the Salt Waste Processing Facility (SWPF). The Savannah River National Laboratory (SRNL) Melt Rate Furnace (MRF) was used to evaluate four melter feed compositions: two with simulated SCIX and SWPF material and two without. The Slurry-fed Melt Rate Furnace (SMRF) was then used to compare two different feeds: one with and one without bounding concentrations of simulated SCIX and SWPF material. Analyses of the melter feed materials confirmed that they met their targeted compositions. Four feeds were tested in triplicate in the MRF. The linear melt rates were determined by using X-ray computed tomography to measure the height of the glass formed along the bottom of the beakers. The addition of the SCIX and SWPF material reduced the average measured melt rate by about 10% in MRF testing, although there was significant scatter in the data. Two feeds were tested in the SMRF. It was noted that the ground CST alone (ground CST with liquid in a bucket) was extremely difficult to resuspend during preparation of the feed with material from SCIX and SWPF. This feed was also more difficult to pump than the material without MST and CST due to settling occurring in the melter feed line, although the yield stress of both feeds was high relative to the DWPF design basis. Steady state feeding conditions were maintained for about five hours for each feed. There was a reduction in the feed and pour rates of approximately 15% when CST and MST were added to the feed, although there was significant scatter in the data. Analysis of samples collected from the SMRF pour stream showed that the composition of the glass changed as expected when MST and CST were added to the feed. These reductions in melt rate are consistent with previous studies that showed a negative impact of increased TiO{sub 2} concentrations on the rate of melting. The impact of agitating the melt pool via bubbling was not studied as part of this work, but may be of interest for further testing. It is recommended that additional melt rate testing be performed should a potential reduction in melt rate of 10-15% be considered an issue of concern, or should the anticipated composition of the glass with the addition of material from salt waste processing be modified significantly from the current projections, either due to changes in sludge batch preparation or changes in the composition or volume of SCIX and SWPF material.

  19. Extraction of local hydrogen exchange data from HDX CAD MS measurements by deconvolution of isotopic distributions of fragment ions.

    PubMed

    Abzalimov, Rinat R; Kaltashov, Igor A

    2006-11-01

    Hydrogen/deuterium exchange (HDX) coupled to protein fragmentation either in solution (by means of proteolysis) or in the gas phase (using collisional activation of protein ions) and followed by mass spectral measurements of deuterium content of individual fragments has become one of the major experimental tools to probe protein structure and dynamics. One difficulty, which often arises in the course of interpretation of HDX MS data, is a need to separate deuterium contribution to the observed isotopic patterns from that of naturally occurring isotopes. Another frequently encountered problem, especially when HDX in solution is followed by protein ion fragmentation in the gas phase, is a need to determine the deuterium content of an internal protein segment based on the measured isotopic distributions of overlapping fragments. While several algorithms were developed in the past several years to address the first problem, the second one did not enjoy as much attention. Here we report a new algorithm based on a maximum entropy principle, which is capable of extracting local exchange data form the isotope distribution of overlapping fragments, as well as subtracting the background due to the presence of natural isotopes and residual deuterium in exchange buffers. The new method is tested with several proteins and appears to generate stable solutions even under unfavorable circumstances, e.g., when the resolving power of a mass analyzer is not sufficient to avoid signal interference or when the isotopic distributions of individual fragments are complex and cannot be approximated with simple binomial distributions. The latter feature makes the algorithm particularly useful when the exchange in solution is correlated or semicorrelated, paving the way to precise structural characterization of non-native protein states in solution. PMID:16934998

  20. Open inquiry-based learning experiences: a case study in the context of energy exchange by thermal radiation

    NASA Astrophysics Data System (ADS)

    Pizzolato, Nicola; Fazio, Claudio; Rosario Battaglia, Onofrio

    2014-01-01

    An open inquiry (OI)-based teaching/learning experience, regarding a scientific investigation of the process of energy exchange by thermal radiation, is presented. A sample of upper secondary school physics teachers carried out this experience at the University of Palermo, Italy, in the framework of ESTABLISH, a FP7 European Project aimed at promoting and developing inquiry-based science education. The teachers had the opportunity to personally experience an OI-based learning activity, with the aim of exploring the pedagogical potentialities of this teaching approach to promote both the understanding of difficult concepts and a deeper view of scientific practices. The teachers were firstly engaged in discussions concerning real-life problematic situations, and then stimulated to design and carry out their own laboratory activities, aimed at investigating the process of energy exchange by thermal radiation. A scientific study on the energy exchange between a powered resistor and its surrounding environment, during the heating and cooling processes, was designed and performed. Here we report the phases of this experiment by following the teachers' perspective. A structured interview conducted both before and after the OI experience allowed us to analyze and point out the teachers' feedback from a pedagogical point of view. The advantages and limits of an OI-based approach to promote the development of more student-centred inquiry-oriented teaching strategies are finally discussed.

  1. Exchange integrals in magnetoelectric hexagonal ferrite (SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}): A density functional study

    SciTech Connect

    Feng, Min [School of Physics, Nankai University, Tianjin 300071 (China); Shao, Bin [Department of Physics, Tsinghua University, Beijing 100084 (China); Lu, Yuan; Zuo, Xu, E-mail: xzuonku@gmail.com [College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China)

    2014-05-07

    The exchange integrals in magnetoelectric hexagonal ferrite SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} have been calculated by using density functional theory. To get 10 inter-sublattice and 3 intra-sublattice exchange integrals, the electronic structures and total energies of 20 spin arrangements have been calculated with General Gradient Approximation (GGA) + U method. The dependence of exchange integrals on U has been studied. The comparison between the exchange integrals in SrFe{sub 12}O{sub 19} and those in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} shows that substitution of Co and Ti decreases the most interactions involving the 12?k sites. The investigation based on our exchange integrals indicates that magnetic interaction between R and S blocks reduces significantly in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}.

  2. Ion exchange and dehydration experimental studies of clinoptilolite: Implications to zeolite dating

    SciTech Connect

    WoldeGabriel, G.

    1995-02-01

    Variable effects were noted on the argon (Ar) and potassium (K) contents of clinoptilolite fractions used in ion-exchange and dehydration experiments. The K contents of clinoptilolite fractions were differently affected during cation exchange with Ca-, Cs-, K-, and Na-chloride solutions. Ar was generally less affected during these experiments, except for a Na-clinoptitolite fraction exchanged for five days. Loss of Ar during organic heavy-liquid treatment and cleaning using acetone and deionized water does occur, as indicated by comparing the amounts of radiogenic Ar of treated and untreated fractions. Moreover, a regular decrease in radiogenic Ar contents was noted in clinoptilolite fractions during dehydration experiments at different temperatures for 16 hours. Comparable losses do not occur from saturated samples that were heated in 100 C for more than five months. Water appears to play a vital role in stabilizing the clinoptilolite framework structure and in the retention of Ar. The radiogenic Ar depletion pattern noted in clinoptilolite fractions dehydrated in unsaturated environment at different temperatures is similar to variations in the amount of radiogenic Ar observed in clinoptilolite samples from the unsaturated zone of an altered tuff. These results can be used to evaluate the extent of zeolitic water (and hence Ar) retention in unsaturated geologic settings. The utility of alkali zeolites (e.g., phillipsite, clinoptilolite, and mordenite) from low-temperature, open-hydrologic alteration as potential dateable minerals was evaluated using the K/Ar method as part of the Yucca Mountain Site Characterization Project, which is evaluating Yucca Mountain, Nevada, as a potential high-level radioactive waste repository site.

  3. Exchange bias studies of NiFe\\/FeMn\\/NiFe trilayer by ion beam etching

    Microsoft Academic Search

    V. K. Sankaranarayanan; D. Y. Kim; S. M. Yoon; C. O. Kim; C. G. Kim

    2005-01-01

    Effect of low energy ion beam etching on exchange bias in NiFe\\/FeMn\\/NiFe \\u000atrilayer is investigated in multilayers prepared by rf magnetron sputtering. \\u000aStepwise etching and magnetization measurement of FeMn layer in an NiFe\\/FeMn \\u000abilayer show increase of bias as etching proceeds and FeMn thickness \\u000adecreases. The bias show a maximum around 7 nm FeMn thickness and then fall \\u000asharply below 5 nm,

  4. Higher Education Exchange, 2004

    ERIC Educational Resources Information Center

    Brown, David W., Ed; Witte, Deborah, Ed.

    2004-01-01

    The Higher Education Exchange is part of a movement to strengthen higher education's democratic mission and foster a more democratic culture throughout American society. Working in this tradition, the Higher Education Exchange publishes case studies, analyses, news, and ideas about efforts within higher education to develop more democratic…

  5. Higher Education Exchange, 2007

    ERIC Educational Resources Information Center

    Brown, David W., Ed.; Witte, Deborah, Ed.

    2007-01-01

    "Higher Education Exchange" publishes case studies, analyses, news, and ideas about efforts within higher education to develop more democratic societies. Contributors to this issue of the "Higher Education Exchange" discuss the concept of growing public scholars; each contribution incorporates a student component. Articles include: (1) "Foreword"…

  6. Higher Education Exchange, 2010

    ERIC Educational Resources Information Center

    Brown, David W., Ed.; Witte, Deborah, Ed.

    2010-01-01

    "Higher Education Exchange" publishes case studies, analyses, news, and ideas about efforts within higher education to develop more democratic societies. Contributors to this issue of the "Higher Education Exchange" examine whether institutions of higher learning are doing anything to increase the capacity of citizens to shape their future.…

  7. Higher Education Exchange, 2012

    ERIC Educational Resources Information Center

    Brown, David W., Ed.; Witte, Deborah, Ed.

    2012-01-01

    "Higher Education Exchange" publishes case studies, analyses, news, and ideas about efforts within higher education to develop more democratic societies. Contributors to this issue of the "Higher Education Exchange" examine whether institutions of higher learning are doing anything to increase the capacity of citizens to shape their future.…

  8. Higher Education Exchange, 2011

    ERIC Educational Resources Information Center

    Brown, David W., Ed.; Witte, Deborah, Ed.

    2011-01-01

    "Higher Education Exchange" publishes case studies, analyses, news, and ideas about efforts within higher education to develop more democratic societies. Contributors to this issue of the "Higher Education Exchange" examine whether institutions of higher learning are doing anything to increase the capacity of citizens to shape their future.…

  9. Double-exchange model study of multiferroic RMnO3 perovskites

    SciTech Connect

    Dong, Shuai [ORNL; Yu, Rong [ORNL; Yunoki, Seiji [RIKEN, Japan; Liu, J.-M. [Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing; Dagotto, Elbio R [ORNL

    2009-01-01

    In this proceeding, recent theoretical investigations by the authors on the multiferroic RMnO3 perovskites are briefly reviewed at first. Using the double-exchange model, the realistic spiral spin order in undoped manganites such as TbMnO3 and DyMnO3 is well reproduced by incorporating a weak nextnearest neighbor superexchange ( 10% of nearest neighbor superexchange) and moderate Jahn-Teller distortion. The phase transitions from the A-type antiferromagnet (as in LaMnO3), to the spiral phase (as in TbMnO3), and finally to the E-type antiferromagnet (as in HoMnO3), with decreasing size of the R ions, were also explained. Moreover, new results of phase diagram of the three-dimensional lattice are also included. The ferromagnetic tendency recently discovered in the LaMnO3 and TbMnO3 thin films is explained by considering the substrate stress. Finally, the relationship between our double-exchange model and a previously used J1-J2-J3 model is further discussed from the perspective of spin wave excitations.

  10. A study on the exchange coupling of NdFeB-type nanocomposites using Henkel plots

    NASA Astrophysics Data System (ADS)

    Chen, Q.; Ma, B. M.; Lu, B.; Huang, M. Q.; Laughlin, D. E.

    1999-04-01

    The phase transformation and magnetic properties of (Nd0.95La0.05)9.5FebalCo5Nb2B10.5 nanocomposite have been investigated systematically via thermomagnetic analysis, vibration sample magnetometer, x-ray diffraction, and conventional transmission electron microscopy. The Henkel plot was employed to quantify the strength of the exchange coupling between the hard and soft magnetic phases in the as-spun and the thermally treated samples. It was found that remanence Br, coercivity Hci, and maximum energy product BHmax obtained were affected by the magnetic phases present as well as the grain size of constituent phases and their distribution. The Henkel plot successfully interpreted the effect of the exchange coupling on Br, Hci, and BHmax obtained for samples treated below 750 °C. However, it became inadequate for samples treated above 750 °C. Although similar shapes of ?M-H curves were obtained in the Henkel plot, severe degradation in Br, Hci, and BHmax was found when the thermal treatment temperature was increased from 750 to 850 °C. This degradation may be attributed to the grain growth of the main phases, from 45 to 68 nm, and the development of precipitates. In conjunction with the mass balance, the precipitated phases (presumably borides) may explain the increase in the Tc of Nd2(FeCo)14B and the decreased amount of ?-Fe and Fe3B with increasing thermal processing temperature.

  11. Exchange bias studies of NiFe/FeMn/NiFe trilayer by ion beam etching

    NASA Astrophysics Data System (ADS)

    Sankaranarayanan, V. K.; Kim, D. Y.; Yoon, S. M.; Kim, C. O.; Kim, C. G.

    2005-05-01

    Effect of low energy ion beam etching on exchange bias in NiFe/FeMn/NiFe trilayer is investigated in multilayers prepared by rf magnetron sputtering. Stepwise etching and magnetization measurement of FeMn layer in an NiFe/FeMn bilayer show increase of bias as etching proceeds and FeMn thickness decreases. The bias show a maximum around 7 nm FeMn thickness and then fall sharply below 5 nm, broadly in line with the exchange bias variation at increasing FeMn thickness but in reverse order, particularly at low FeMn thickness. Progressive etching of top NiFe layer in the NiFe/FeMn/NiFe trilayer shows an initial gradual increase in bias followed by a sharp increase below 7 nm thickness of top NiFe layer, with a maximum at 2 nm thickness for both NiFe layers and greater bias for seed NiFe layer.

  12. Leach studies on cement-solidified ion exchange resins from decontamination processes at operating nuclear power stations

    SciTech Connect

    McIsaac, C.V.; Akers, D.W.; McConnell, J.W.; Morcos, N.

    1992-08-01

    The effects of varying pH and leachant compositions on the physical stability and leachability of radionuclides and chelating agents were determined for cement-solidified decontamination ion-exchange resin wastes collected from two operating commercial light water reactors. Small scale waste-form specimens were collected during waste solidifications performed at the Brunswick Steam Electric Plant Unit 1 and at the James A. FitzPatrick Nuclear Power Station. The collected specimens were leach tested, and their compressive strength was measured in accordance with the Nuclear Regulatory Commission`s ``Technical Position on Waste Form`` (Revision 1), from the Low-Level Waste Management Branch. Leachates from these studies were analyzed for radionuclides, selected transition metals, and chelating agents to assess the leachability of these waste form constituents. Leachants used for the study were deionized water, simulated seawater, and groundwater compositions similar to those found at Barnwell, South Carolina and Hanford, Washington. Results of this study indicate that initial leachant pH does not affect leachate pH or releases from cement-solidified decontamination ion-exchange resin waste forms. However, differences in leachant composition and the presence of chelating agents may affect the releases of radionuclides and chelating agents. In addition, results from this study indicate that the cumulative releases of radionuclides and chelating agents observed for forms that disintegrated were similar to those for forms that maintained their general physical integrity.

  13. Leach studies on cement-solidified ion exchange resins from decontamination processes at operating nuclear power stations

    SciTech Connect

    McIsaac, C.V.; Akers, D.W.; McConnell, J.W.; Morcos, N.

    1992-01-01

    The effects of varying pH and leachant compositions on the physical stability and leachability of radionuclides and chelating agents were determined for cement-solidified decontamination ion-exchange resin wastes collected from two operating commercial light water reactors. Small scale waste-form specimens were collected during waste solidifications performed at the Brunswick Steam Electric Plant Unit 1 and at the James A. FitzPatrick Nuclear Power Station. The collected specimens were leach tested, and their compressive strength was measured in accordance with the Nuclear Regulatory Commission's Technical Position on Waste Form'' (Revision 1), from the Low-Level Waste Management Branch. Leachates from these studies were analyzed for radionuclides, selected transition metals, and chelating agents to assess the leachability of these waste form constituents. Leachants used for the study were deionized water, simulated seawater, and groundwater compositions similar to those found at Barnwell, South Carolina and Hanford, Washington. Results of this study indicate that initial leachant pH does not affect leachate pH or releases from cement-solidified decontamination ion-exchange resin waste forms. However, differences in leachant composition and the presence of chelating agents may affect the releases of radionuclides and chelating agents. In addition, results from this study indicate that the cumulative releases of radionuclides and chelating agents observed for forms that disintegrated were similar to those for forms that maintained their general physical integrity.

  14. Water exchange through the Betic and Rifian corridors prior to the Messinian Salinity Crisis: A model study

    NASA Astrophysics Data System (ADS)

    Vara, Alba; Topper, Robin P. M.; Meijer, Paul Th.; Kouwenhoven, Tanja J.

    2015-05-01

    Although the present-day Mediterranean-Atlantic water exchange has been extensively studied, little is known about the dynamics of the Betic and Rifian corridors that existed before the Messinian Salinity Crisis. Due to the difficulties in studying the paleogeographic evolution of these corridors, physics-based knowledge of their behavior is essential to interpret observational evidence and to relate flow structures to gateway geometries. Here we present the first systematic model study of the water exchange through these gateways. We use the parallel version of the Princeton Ocean Model (sbPOM) and a set of idealized bathymetries based on a late Tortonian paleogeography. This analysis represents a major step forward in the understanding of the behavior of the double-gateway system constituted by the Late Miocene Betic and Rifian corridors. We demonstrate that the "siphon" scenario, involving inflow of cold upwelled Atlantic water through the Rifian corridor and outflow of Mediterranean water only via the Betic corridor, is unlikely from a physics perspective. It is shown that two exchange patterns are possible depending solely on the relative depth of the corridors. The implication of this is that geological evidence for the behavior of one corridor provides information about the dimensions of the other. We show that disappearance of outflow in one corridor does not necessarily imply its closure and we establish a guideline to determine how geological evidence can be interpreted as indicating one- or two-layer flow. Based on the model results, we propose new physics-based scenarios for the time interval defined for the siphon.

  15. Density functional study of the spin exchange interactions, magnetic structures and ferroelectric polarizations of multiferroics driven by magnetic order

    NASA Astrophysics Data System (ADS)

    Whangbo, Mike

    2009-03-01

    The electronic structures of magnetic insulators LiCuVO4, LiCu2O2, TbMnO3, Ca3CoMnO6, MnWO4, CuFeO2, Ba2CoGe2O7 and CuBr were examined on the basis of first principles DFT+U+SOC calculations to evaluate their spin exchange parameters and account for their ordered magnetic structures. We then explored how the electric polarizations of these compounds are related to the magnetic ordering and spin-orbit coupling. In this talk results of our studies will be presented.

  16. Exchange energy density and exchange potential via a hartree–fock plus mp2 study of the electron liquid in the ground-state conformer of glycine

    Microsoft Academic Search

    Norman H. March; Michaela Knapp-Mohammady; Christian Van Alsenoy; Sándor Suhai

    2008-01-01

    Very recent criticisms of existing exchange-correlation functionals by Wanko et al. applied to systems of biological interest have led us to reopen the question of the ground-state conformer of glycine: the simplest amino acid. We immediately show that the global minimum of the Hartree–Fock (HF) ground-state leads to a planar structure of the five non-hydrogenic nuclei, in the non-ionized form

  17. Fundamental studies on direct ammonia fuel cell employing anion exchange membrane

    NASA Astrophysics Data System (ADS)

    Suzuki, Shohei; Muroyama, Hiroki; Matsui, Toshiaki; Eguchi, Koichi

    2012-06-01

    The fundamental characteristics of direct ammonia fuel cell employing anion exchange membrane (AEM) as an electrolyte was evaluated. The fuel cells with three different anodes of Pt/C, Pt-Ru/C, and Ru/C were applied for the performance tests. The open circuit voltage (OCV) was notably lower than the ideal electromotive force of 1.17 V and significantly dependent on the electrocatalysts. The OCV achieved was in the following sequence: Pt-Ru/C > Pt/C > Ru/C. Furthermore, the ammonia permeated through the AEM by the solubility-diffusion mechanism and the formation of oxidants such as N2 and NO was detected in the cathode exhaust gas. This result indicates the oxidation of ammonia in the cathode, which will be another factor for the reduction in OCV. Note that OCV and performance continuously decreased during the consecutive I-V characteristic measurements because of the Nad poisoning over the surface of anode catalysts.

  18. In-situ NMR studies of isobutane activation and exchange in zeolite beta.

    PubMed

    Truitt, Matthew J; White, Jeffery L

    2009-04-01

    (1)H solid-state NMR techniques have been used to simultaneously detect the reactivity of both catalyst and alkane reactant protons in an in-situ experimental design. Specifically, the activation of isobutane C-H bonds by the solid acid zeolite H-Beta is directly observed while the reaction is in progress, and the rate of proton transfer between the solid catalyst surface and gaseous isobutane is quantitatively measured using isotopic (1)H/(2)H exchange methods. Arrhenius analysis of isothermal kinetic runs revealed an apparent activation barrier of 70kJ/mole for the exchange process between isobutane and the 12-membered ring H-Beta, which exceeds our previously determined value of 57kJ/mole for isobutane in the 10-membered ring H-ZSM-5 (JACS 2006, v. 128, p. 1848). Estimation of true activation energies using heat of adsorption data from the literature combined with the experimentally measured apparent E(a) suggests that the true activation barrier differs by only 6-7kJ/mole in the two catalysts. We discuss the possibility that subtle shape selectivity, or inverse shape selectivity, and lattice solvation differences between the two catalysts account for the enhanced solvation of the isobutane transition state in HZSM-5 compared to the larger channel H-Beta. In all experiments, the isobutane reagent was treated to eliminate any unsaturated impurities that might serve as initiators for carbenium-ion mechanisms, and the active catalyst was free of any organic contaminants that might serve as a source of unsaturated initiators. PMID:19185469

  19. Study of frost growth on heat exchangers used as outdoor coils in air source heat pump systems

    NASA Astrophysics Data System (ADS)

    K P, Sankaranarayanan

    2011-12-01

    Scope and method of study. During winter heating operation, the outdoor coil of a heat pump acts as an evaporator and when the ambient temperature is near freezing, the moisture in the atmospheric air freezes on the coil surface. The frost growth affects the air flow and also adds resistance to heat transfer thus reducing the capacity and the efficiency of the heat pump. An experimental facility is designed and built to test a small scale heat exchanger working in frosting conditions. Tests are carried out using small scale fin-tube and microchannel heat exchanger over a range of glycol inlet temperatures, air velocities and ambient air RH. A semi-empirical frost model based on a scaling approach is developed and applied to both fin-tube heat and microchannel heat exchangers. The model is developed to handle non-uniformities in both refrigerant and air side. The frost model is integrated with a segment-by-segment heat exchanger calculation algorithm and is validated against experimental data. Frost growth model is also incorporated in a quasi-steady state system simulation algorithm. Findings and conclusions. From the experimental study it was observed that the temperature of the surface and air RH affected the rate of frost growth significantly while the air velocity did not have a great influence. It is demonstrated that a dry heat transfer correlation can be used during frost growth period by correctly accounting for frost thickness in the hydraulic diameter calculations. Ignoring the phenomenon of air redistribution was found to result in errors in the range of 20% to 50% in predicted frost thickness. Frost thickness predicted by the frost model is within 5% of the measured values for most of the cases. Frost mass accumulation predicted by the simple model is higher than the measured values due to a uniform thickness assumption in the model. An improved frost model based on 1-D finite volume discretization is also presented which improved the frost mass prediction to within 13% of measured values. The system simulation is validated against experimental results and found to match reasonable well. The discrepancy between simulation and experiments were due to the effects of system transience in the initial stages.

  20. Native-state hydrogen-exchange studies of a fragment complex can provide structural information about the isolated fragments

    PubMed Central

    Chakshusmathi, G.; Ratnaparkhi, Girish S.; Madhu, P. K.; Varadarajan, R.

    1999-01-01

    Ordered protein complexes are often formed from partially ordered fragments that are difficult to structurally characterize by conventional NMR and crystallographic techniques. We show that concentration-dependent hydrogen exchange studies of a fragment complex can provide structural information about the solution structures of the isolated fragments. This general methodology can be applied to any bimolecular or multimeric system. The experimental system used here consists of Ribonuclease S, a complex of two fragments of Ribonuclease A. Ribonuclease S and Ribonuclease A have identical three-dimensional structures but exhibit significant differences in their dynamics and stability. We show that the apparent large dynamic differences between Ribonuclease A and Ribonuclease S are caused by small amounts of free fragments in equilibrium with the folded complex, and that amide exchange rates in Ribonuclease S can be used to determine corresponding rates in the isolated fragments. The studies suggest that folded RNase A and the RNase S complex exhibit very similar dynamic behavior. Thus cleavage of a protein chain at a single site need not be accompanied by a large increase in flexibility of the complex relative to that of the uncleaved protein. PMID:10393919

  1. Influence of 8-Oxoguanosine on the Fine Structure of DNA Studied with Biasing-Potential Replica Exchange Simulations

    PubMed Central

    Kara, Mahmut; Zacharias, Martin

    2013-01-01

    Chemical modification or radiation can cause DNA damage, which plays a crucial role for mutagenesis of DNA, carcinogenesis, and aging. DNA damage can also alter the fine structure of DNA that may serve as a recognition signal for DNA repair enzymes. A new, advanced sampling replica-exchange method has been developed to specifically enhance the sampling of conformational substates in duplex DNA during molecular dynamics (MD) simulations. The approach employs specific biasing potentials acting on pairs of pseudodihedral angles of the nucleic acid backbone that are added in the replica simulations to promote transitions of the most common substates of the DNA backbone. The sampled states can exchange with a reference simulation under the control of the original force field. The application to 7,8-dihydro-8oxo-guanosine, one of the most common oxidative damage in DNA indicated better convergence of sampled states during 10 ns simulations compared to 20 times longer standard MD simulations. It is well suited to study systematically the fine structure and dynamics of large nucleic acids under realistic conditions, including explicit solvent and ions. The biasing potential-replica exchange MD simulations indicated significant differences in the population of nucleic acid backbone substates in the case of 7,8-dihydro-8oxo-guanosine compared to a regular guanosine in the same sequence context. This concerns both the ratio of the B-DNA substates BI and BII associated with the backbone dihedral angles ? and ? but also coupled changes in the backbone dihedral angles ? and ?. Such differences may play a crucial role in the initial recognition of damaged DNA by repair enzymes. PMID:23473492

  2. Influence of 8-Oxoguanosine on the Fine Structure of DNA Studied with Biasing-Potential Replica Exchange Simulations

    SciTech Connect

    Kara, Mahmut; Zacharias, Martin W.

    2013-03-05

    Chemical modification or radiation can cause DNA damage, which plays a crucial role for mutagenesis of DNA, carcinogenesis, and aging. DNA damage can also alter the fine structure of DNA that may serve as a recognition signal for DNA repair enzymes. A new, advanced sampling replica-exchange method has been developed to specifically enhance the sampling of conformational substates in duplex DNA during molecular dynamics (MD) simulations. The approach employs specific biasing potentials acting on pairs of pseudodihedral angles of the nucleic acid backbone that are added in the replica simulations to promote transitions of the most common substates of the DNA backbone. The sampled states can exchange with a reference simulation under the control of the original force field. The application to 7,8-dihydro-8oxo-guanosine, one of the most common oxidative damage in DNA indicated better convergence of sampled states during 10 ns simulations compared to 20 times longer standard MD simulations. It is well suited to study systematically the fine structure and dynamics of large nucleic acids under realistic conditions, including explicit solvent and ions. The biasing potential-replica exchange MD simulations indicated significant differences in the population of nucleic acid backbone substates in the case of 7,8-dihydro-8oxo-guanosine compared to a regular guanosine in the same sequence context. This concerns both the ratio of the B-DNA substates BI and BII associated with the backbone dihedral angles ? and z but also coupled changes in the backbone dihedral angles a and g. Such differences may play a crucial role in the initial recognition of damaged DNA by repair enzymes.

  3. The empirical study of a four-row heat pipe heat exchanger to predict the year-round energy recovery in the tropics

    Microsoft Academic Search

    YH Yau; M Ahmadzadehtalatapeh

    2011-01-01

    The effect of heat pipe heat exchanger on the heat recovery was studied in the tropics. The performance of the heat exchanger was monitored during the one week of operation (168 h) to find out the performance characteristic curves. Three coil face velocities namely, 2, 2.2 and 2.5 m\\/s were tested and the temperature of return air was controlled at

  4. Crude Oil Imports, Oil Price Volatility and Exchange Rate Adjustments: An Empirical Study Based on Monthly Data from 1995 to 2010

    Microsoft Academic Search

    Chen Zhang

    \\u000a Based on high frequency monthly data from 1995 to 2010, this study has employed VAR model to analyze the relationship between\\u000a the international crude oil prices, exchange rate and China’s crude oil imports. The Empirical results show that China’s crude\\u000a oil imports has a rather stable long term relationship with the international crude oil price adjustment and the RMB exchange

  5. 47 CFR 54.305 - Sale or transfer of exchanges.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...existing rural incumbent local exchange carrier study area, the rural incumbent local exchange carrier shall...a binding agreement to buy or acquire exchanges...available to rural incumbent local exchange carriers that...1) For carriers that buy or acquire...

  6. 47 CFR 54.305 - Sale or transfer of exchanges.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...existing rural incumbent local exchange carrier study area, the rural incumbent local exchange carrier shall...a binding agreement to buy or acquire exchanges...available to rural incumbent local exchange carriers that...1) For carriers that buy or acquire...

  7. 47 CFR 54.305 - Sale or transfer of exchanges.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...existing rural incumbent local exchange carrier study area, the rural incumbent local exchange carrier shall...a binding agreement to buy or acquire exchanges...available to rural incumbent local exchange carriers that...1) For carriers that buy or acquire...

  8. 47 CFR 54.305 - Sale or transfer of exchanges.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...existing rural incumbent local exchange carrier study area, the rural incumbent local exchange carrier shall...a binding agreement to buy or acquire exchanges...available to rural incumbent local exchange carriers that...1) For carriers that buy or acquire...

  9. 47 CFR 54.305 - Sale or transfer of exchanges.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...existing rural incumbent local exchange carrier study area, the rural incumbent local exchange carrier shall...a binding agreement to buy or acquire exchanges...available to rural incumbent local exchange carriers that...1) For carriers that buy or acquire...

  10. Study and development of sulfated zirconia based proton exchange fuel cell membranes

    NASA Astrophysics Data System (ADS)

    Kemp, Brittany Wilson

    With the increasing consumption of energy, fuel cells are among the most promising alternatives to fossil fuels, provided some technical challenges are overcome. Proton exchange membrane fuel cells (PEMFCs) have been investigated and improvements have been made, but the problem with NafionRTM, the main membrane for PEMFCs, has not been solved. NafionRTM restricts the membranes from operating at higher temperatures, thus preventing them from working in small electronics. The problem is to develop a novel fuel cell membrane that performs comparably to NafionRTM in PEMFCs. The membranes were fabricated by applying sulfated zirconia, via template wetting, to porous alumina membranes. The fabricated membranes showed a proton conductivity of 0.016 S/cm in comparison to the proton conductivity of Nafion RTM (0.05 S/cm). Both formic acid and methanol had a lower crossover flux through the sulfated zirconia membranes (formic acid- 2.89x10 -7 mols/cm2s and methanol-1.78x10-9 mols/cm2s) than through NafionRTM (formic acid-2.03x10 -8 mols/cm2s methanol-2.42x10-6 mols/cm 2s), indicating that a sulfated zirconia PEMFC may serve as a replacement for NafionRTM.

  11. Numerical study of heat transfer enhancement of counter nanofluids flow in rectangular microchannel heat exchanger

    NASA Astrophysics Data System (ADS)

    Mohammed, H. A.; Bhaskaran, G.; Shuaib, N. H.; Saidur, R.

    2011-09-01

    This paper reports a numerical analysis of the performance of a counter-flow rectangular shaped microchannel heat exchanger (MCHE) using nanofluids as the working fluids. Finite volume method was used to solve the three-dimensional steady, laminar developing flow and conjugate heat transfer in aluminum MCHE. The nanofluids used were Ag, Al 2O 3, CuO, SiO 2, and TiO 2 and the performance was compared with water. The thermal, flow fields and performance of the MCHE were analyzed using different nanofluids, different Reynolds numbers and different nanoparticle concentrations. Temperature profile, heat transfer coefficient, pressure profile, and wall shear stress were obtained from the simulations and the performance was discussed in terms of heat transfer rate, pumping power, effectiveness, and performance index. Results indicated enhanced performance with the usage of nanofluids, and slight penalty in pressure drop. The increase in Reynolds number caused an increase in the heat transfer rate and a decrease in the overall bulk temperature of the cold fluid. The increase in nanoparticle concentration also yielded better performance at the expense of increased pressure drop.

  12. Exchange-dominated eigenmodes in sub-100 nm permalloy dots: A micromagnetic study at finite temperature

    NASA Astrophysics Data System (ADS)

    Carlotti, G.; Gubbiotti, G.; Madami, M.; Tacchi, S.; Stamps, R. L.

    2014-05-01

    Micromagnetic simulations at room temperature (300 K) have been carried out in order to analyse the magnetic eigenmodes (frequency and spatial profile) in elliptical dots with sub-100 nm lateral size. Features are found that are qualitatively different from those typical of larger dots because of the dominant role played by the exchange-energy. These features can be understood most simply in terms of nodal planes defined relative to the orientation of the static magnetization. A new, generalized labeling scheme is proposed that simplifies discussion and comparison of modes from different geometries. It is shown that the lowest-frequency mode for small dots is characterized by an in-phase precession of spins, without nodal planes, but with a maximum amplitude at the edges. This mode softens at an applied switching field with magnitude comparable to the coercive field and determines specific aspects of magnetization reversal. This characteristic behavior can be relevant for optimization of microwave assisting switching as well as for maximizing interdot coupling in dense arrays of dots.

  13. Prospects for HERMES-spin structure studies at HERA

    SciTech Connect

    Jackson, H.E. [Argonne National Lab., IL (United States). Physics Div.

    1994-12-31

    HERMES (HERA Measurement of Spin), is a second generation experiment to study the spin structure of the nucleon by using polarized internal gas targets in the HERA 35-GeV electron storage ring. Scattered electrons and coincident hadrons will be detected in an open geometry spectrometer which will include particle identification. Measurements are planned for each of the inclusive structure functions, g{sub 1},(x), g{sub 2}(x), b{sub 1}(x) and A(x), as well as the study of semi-inclusive pion and kaon asymmetries. Targets of hydrogen, deuterium and {sup 3}He will be studied. The accuracy of data for the inclusive structure functions will equal or exceed that of current experiments. The semi-inclusive asymmetries will provide a unique and sensitive probe of the flavor dependence of quark helicity distributions and properties of the quark sea. Monte Carlo simulations of HERMES data for experiment asymmetries and polarized structure functions are discussed.

  14. Orientation and electronic structure of ion exchanged dye molecules on mica: An X-ray absorption study

    SciTech Connect

    Fischer, D.; Caseri, W.R.; Haehner, G. [ETH Zuerich (Switzerland)] [ETH Zuerich (Switzerland)

    1998-02-15

    Dye molecules are frequently used to determine the specific surface area and the ion exchange capacity of high-surface-area materials such as mica. The organic molecules are often considered to be planar and to adsorb in a flat orientation. In the present study the authors have investigated the orientation and electronic structure of crystal violet (CV) and malachite green (MG) on muscovite mica, prepared by immersing the substrates for extended periods into aqueous solutions of the dyes of various concentrations. The K{sup +} ions of the mica surface are replaced by the organic cations via ion exchange. X-ray photoelectron spectroscopy reveals that only one amino group is involved in the interaction of CV and MG with the muscovite surface, i.e., certain resonance structures are abolished upon adsorption. With near edge X-ray absorption fine structure spectroscopy a significant tilt angle with respect to the surface was found for all investigated species. A flat orientation, as has often been proposed before, can effectively be ruled out. Hence, results are in marked contrast to the often quoted orientation and suggest that the specific surface areas determined with dyes may, in general, be overestimated.

  15. The study of mercury exchange rate between air and soil surface in Hongfeng reservoir region, Guizhou, PR China

    NASA Astrophysics Data System (ADS)

    Wang, S.; Feng, X.; Qiu, G.

    2003-05-01

    In summer of 2002, we measured the exchange flux of mercury between air and soil surface using the method of Dynamic Flux Chamber (DFC) in Hongfeng lake region. At the same time, we recorded meteorological parameters such as air temperature, soil temperature, wind speed and solar radiation using a multi-function mini-weather station (global water III). Soil, moss and fertilizer samples in study area were also collected. The Hg fluxes of air/soil surface rangeed from -11.0ng m^{-2} h^{-1} to 219.0ng m^{-2}h^{-1}, averaged at 29.2 ng m^{-2} h^{-1} (n = 508). The data show that the exchange of mercury is bi-direction between air and soit surface: namely both emission and deposition of mercury occurs, but Hg emission is much more frequent than deposition process (n_{deposition} =3,n_{emission}= 505). The average mercury content in soil, moss, fertilizer sample are 249.9± 24.1ng/g (n=3), 450.4 ± 64.6ng/g (n=2), 53.4ng/g (n= 1) respectively.

  16. A Comprehensive Study of the Solubility, Thermochemistry, Ion Exchange, and Precipitation Kinetics of NO3 Cancrinite and NO3 Sodalite

    SciTech Connect

    Colon, Carlos F. Joyce; Navrotsky, Alexandra; Krumhansl, James L.; Nyman, May

    2003-06-01

    NO3 cancrinite and NO3 sodalite haves been found as a common sodium alumino-silicate forming in strongly caustic alkaline aqueous solutions associated with radioactive High Level Waste (HLW) stored in many underground tanks and also in nuclear waste treatment facilities such as the Savannah River Site (SRS). The precipitation of alumino-silicate phases from caustic nuclear wastes has proven to be problematic in a number of processes in waste treatment facilities including radionuclide separations (cementation of columns by aluminosilicate phases), tank emptying (aluminosilicate tank heels), and condensation of wastes in evaporators (aluminosilicate precipitates in the evaporators, providing nucleation sites for growth of critical masses of radioactive actinide salts). Therefore, in order to prevent their formation an assessment of the relative stability, formation kinetics, and the ion-exchange characteristics of these two phases in HLW solutions needs to be investigated. The goals of this project are to: (1) Develop a robust equilibrium thermodynamic framework to accurately describe and predict the formation of NO3 cancrinite and NO3 sodalite. (2) Provide a comprehensive characterization of the solid precipitation rates and mechanisms using novel spectroscopic (e.g., NMR) and thermochemical techniques in conditions encountered in HLW waste solutions. (3) Characterize the precipitation kinetics of the aluminosilicates and study the effects of temperature and fluid composition. (4) Investigate the ion exchange capacity of these zeolitic phases with respect to radionuclides and RCRA metal species.

  17. Quantal Study of the Exchange Reaction for N + N2 using an ab initio Potential Energy Surface

    NASA Technical Reports Server (NTRS)

    Wang, Dunyou; Stallcop, James R.; Huo, Winifred M.; Dateo, Christopher E.; Schwenke, David W.; Partridge, Harry; Kwak, Dochan (Technical Monitor)

    2002-01-01

    The N + N2 exchange rate is calculated using a time-dependent quantum dynamics method on a newly determined ab initio potential energy surface (PES) for the ground A" state. This ab initio PES shows a double barrier feature in the interaction region with the barrier height at 47.2 kcal/mol, and a shallow well between these two barriers, with the minimum at 43.7 kcal/mol. A quantum dynamics wave packet calculation has been carried out using the fitted PES to compute the cumulative reaction probability for the exchange reaction of N + N2(J=O). The J - K shift method is then employed to obtain the rate constant for this reaction. The calculated rate constant is compared with experimental data and a recent quasi-classical calculation using a LEPS PES. Significant differences are found between the present and quasiclassical results. The present rate calculation is the first accurate 3D quantal dynamics study for N + N2 reaction system and the ab initio PES reported here is the first such surface for N3.

  18. Theoretical studies of tunneling processes in three-body exchange reactions of van der Waals rare gas dimers

    SciTech Connect

    Turner, R.A.; Raff, L.M.; Thompson, D.L.

    1984-04-01

    Rare gas atom--diatom collisions of Ar+Ar/sub 2/, Xe+Ar/sub 2/, Kr+Xe/sub 2/, Kr+Ne/sub 2/, and Kr+NeAr have been investigated to determine the importance of tunneling processes in exchange and dissociation reactions involving van der Waals molecules. Reaction cross sections, angular distributions, and product-energy distributions have been computed using Monte Carlo quasiclassical trajectories. The effect of tunneling through the rotational barrier upon these quantities has been computed using WKB methods. The results show that metastable diatomic products with energies above the classical dissociation limit, but below the rotational barrier, play a significant role in the dynamics of both exchange and dissociation reactions. Lifetime distributions of such metastable dimers illustrate their importance in crossed molecular beam studies of rare gas systems. The WKB calculations indicate that a significant, and possibly measurable, number of the metastables dissociate by tunneling before they would reach the detector in a molecular beam experiment. Close agreement has been found between these calculations and statistical state-counting calculations of metastable product dimer lifetimes. Experiments are suggested that might permit the direct observation of tunneling in these systems.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. 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. PMID:24182171

  1. Magnetic properties of exchange biased and of unbiased oxide/permalloy thin layers: a ferromagnetic resonance and Brillouin scattering study.

    PubMed

    Zighem, F; Roussigné, Y; Chérif, S-M; Moch, P; Ben Youssef, J; Paumier, F

    2010-10-13

    Microstrip ferromagnetic resonance and Brillouin scattering are used to provide a comparative determination of the magnetic parameters of thin permalloy layers interfaced with a non-magnetic (Al(2)O(3)) or with an antiferromagnetic oxide (NiO). It results from our microstructural study that no preferential texture is favoured in the observed polycrystalline sublayers. It is shown that the perpendicular anisotropy can be monitored using an interfacial surface energy term which is practically independent of the nature of the interface. In the interval of thicknesses investigated (5-25 nm) the saturation magnetization does not significantly differ from the reported one in bulk permalloy. In-plane uniaxial anisotropy and exchange bias anisotropy are also derived from the study of the dynamic magnetic excitations and compared with our independent evaluations using conventional magnetometry. PMID:21386581

  2. A new approach to measuring protein backbone protection with high spatial resolution using H/D exchange and electron capture dissociation

    PubMed Central

    Abzalimov, Rinat R.; Bobst, Cedric E.; Kaltashov, Igor A.

    2013-01-01

    Inadequate spatial resolution remains one of the most serious limitations of hydrogen/deuterium exchange mass spectrometry (HDX MS), especially when applied to larger proteins (over 30 kDa). Supplementing proteolytic fragmentation of the protein in solution with ion dissociation in the gas phase has been used successfully by several groups to obtain near-residue level resolution. However, the restrictions imposed by the LC/MS/MS mode of operation on the data acquisition time frame makes it difficult in many cases to obtain signal-to-noise ratio adequate for reliable assignment of the backbone amide protection levels at individual residues. This restriction is lifted in the present work by eliminating the LC separation step from the workflow and taking advantage of the high resolving power and dynamic range of a Fourier transform ion cyclotron resonance mass spectrometer (FT ICR MS). A residue-level resolution is demonstrated for a peptic fragment of a 37 kDa recombinant protein (N-lobe of human serum transferrin) using electron-capture dissociation as an ion fragmentation tool. The absence of hydrogen scrambling in the gas phase prior to ion dissociation is verified using redundant HDX MS data generated by FT ICR MS. The backbone protection pattern generated by direct HDX MS/MS is in excellent agreement with the known crystal structure of the protein, but also provides information on conformational dynamics, which is not available from the static X-ray structure. PMID:23978257

  3. Studying temporal and spatial variations of groundwater-surface water exchange flux for the Slootbeek (Belgium) using the LPML method

    NASA Astrophysics Data System (ADS)

    Anibas, Christian; Schneideweind, Uwe; Vandersteen, Gerd; Huysmans, Marijke; Batelaan, Okke

    2015-04-01

    Knowledge of groundwater-surface water interaction is important for the assessment of water resources and for the investigation of fate and transport of contaminants and nutrients. In streams and rivers exchange fluxes of water are sensitive to local and regional factors such as riverbed hydraulic conductivity and hydraulic gradients. Field monitoring in time and space is therefore indispensible for assessing the variability of groundwater-surface water interaction. Not only the complexity of the examined processes demand novel data processing and characterization tools, the amount of acquired data also urges for new modeling tools. These tools should be easily applicable, allow for a fast computation, and utilize the maximum amount of available data for detailed analysis, including uncertainties. Such analytical tools should be combined with modern field equipment, data processing tools, geographical information systems and geostatistics for best results. A simple and cost effective methodology to estimate groundwater-surface water interaction is the use of temperature as an environmental tracer (ANDERSON, 2005). LPML (VANDERSTEEN et al., 2014) is one of the most advanced analytical 1D coupled water flow and heat transport models, combining a local polynomial method with a maximum likelihood estimator. It is flexible, fast and able to create time series of exchange fluxes, as well as model quality and parameter uncertainty. LPML determines frequency response functions from measured temperature time series and an analytical model, and applies a non-linear optimization technique. With this tool the variability of groundwater-surface water interaction of the Belgian stream Slootbeek was assessed. Multilevel temperature sensors were placed in seven locations to obtain temperature-time series. Located at the streambed top and at six depths below, several months worth of data was collected and analyzed. Results identified a high spatial and temporal variability of vertical exchange fluxes for the investigated stream section. Fluxes ranged from strong exfiltration of -450 mm/d to infiltration fluxes of 110 mm/d. Events of high stream stages strongly influenced groundwater-surface water interaction, changing the normally gaining reach into a losing one. Measurements of vertical hydraulic gradients were used for validation. It was possible to relate the flow system of Slootbeek to earlier studies performed in the catchment (e.g. ANIBAS et al., 2009) to further advance the understanding of the regional groundwater flow system. These results show that the presented LPML methodology is flexible, fast and able to create reliable time series of groundwater-surface water interaction and their uncertainties. References ANDERSON, M.P. (2005): Heat as a Groundwater Tracer. Ground Water 43 (6): 951-968. ANIBAS, C., FLECKENSTEIN, J.H., VOLZE, N., BUIS, K., VERHOEVEN, R., MEIRE, P., BATELAAN, O. (2009): Transient or steady-state? Using vertical temperature profiles to quantify groundwater-surface water exchange. Hydrological Processes 23(15) 2165-2177. VANDERSTEEN, G., SCHNEIDEWIND, U., ANIBAS, C., SCHMIDT, C., SEUNTJENS, P., BATELAAN, O. (2014): Determining groundwater-surface water exchange from temperature time series: Combining a local polynomial method with a maximum likelihood estimator. Water Resour. Res. DOI: 10.1002/2014wr015994.

  4. Web-based documentation system with exchange of DICOM RT for multicenter clinical studies in particle therapy

    NASA Astrophysics Data System (ADS)

    Kessel, Kerstin A.; Bougatf, Nina; Bohn, Christian; Engelmann, Uwe; Oetzel, Dieter; Bendl, Rolf; Debus, Jürgen; Combs, Stephanie E.

    2012-02-01

    Conducting clinical studies is rather difficult because of the large variety of voluminous datasets, different documentation styles, and various information systems, especially in radiation oncology. In this paper, we describe our development of a web-based documentation system with first approaches of automatic statistical analyses for transnational and multicenter clinical studies in particle therapy. It is possible to have immediate access to all patient information and exchange, store, process, and visualize text data, all types of DICOM images, especially DICOM RT, and any other multimedia data. Accessing the documentation system and submitting clinical data is possible for internal and external users (e.g. referring physicians from abroad, who are seeking the new technique of particle therapy for their patients). Thereby, security and privacy protection is ensured with the encrypted https protocol, client certificates, and an application gateway. Furthermore, all data can be pseudonymized. Integrated into the existing hospital environment, patient data is imported via various interfaces over HL7-messages and DICOM. Several further features replace manual input wherever possible and ensure data quality and entirety. With a form generator, studies can be individually designed to fit specific needs. By including all treated patients (also non-study patients), we gain the possibility for overall large-scale, retrospective analyses. Having recently begun documentation of our first six clinical studies, it has become apparent that the benefits lie in the simplification of research work, better study analyses quality and ultimately, the improvement of treatment concepts by evaluating the effectiveness of particle therapy.

  5. Study of suspending agents for gadolinium(III)-exchanged hectorite. An oral magnetic resonance imaging contrast agent

    SciTech Connect

    Balkus, K.J. Jr.; Shi, J. [Univ. of Texas, Richardson, TX (United States)] [Univ. of Texas, Richardson, TX (United States)

    1996-12-25

    Clays modified with paramagnetic ions have been shown to be effective magnetic resonance imaging contrast agents. The efficacy in part relies on the suspension of the small clay particles in aqueous solution. In this study a series of macromolecules were eveluated as suspending agents for Gd(III) ion exchanged hectorite clay in water. The room temperature relaxivities for the Gd-hectorite clays were enhanced by the addition of poly(ethylene oxide), poly(ethylene glycol), cyclodextrins, and cholic acid to aqueous suspensions. Additionally, there was no evidence of free Gd(III) in solution in the presence of these suspending agents. In contrast the combination of alginic acid or poly(sodium 4-styrenesulfonate) with the clays resulted in release of the Gd(III) into solution. Xanthan gum, which is often used as an emulsifier and stabilizer in food products, forms a viscous suspension but also reacts with free Gd(III) ions. 25 refs., 10 figs., 2 tabs.

  6. Experimental study of convective exchange in a low aspect ratio perforation: Application to cooling of multiperforated wall

    SciTech Connect

    Nguyen, Phu Hung [Dept. Machine Hydraulique et Aeronautique de l'Instituts Polytechnique de Ha Noi. No. 1 DAI Co Viet-Hai ba Trung, Hanoi (Viet Nam); Dorignac, Eva [Laboratoire d'Etudes Thermiques (UMR 6608), Universite de Poitiers, 86961 Futuroscope Chasseneuil (France)

    2008-10-15

    This work presents an experimental study pertaining to convective transfer in pipes with a square-edged inlet simulating the perforation of a multiperforated wall. The experiments were performed for a range of Reynolds numbers from 3000 to 35,000 and an aspect ratio from 2 to 8. The results achieved have allowed us to characterize the different flow areas within the pipe: takeoff, landing, and developed; they have also enabled us to highlight the influence of aerothermic (Re) and geometric (l/d, type of inlet and number of perforations) parameters. We are likewise proposing correlations allowing for determination of the convective exchange coefficient from preliminarily underscored characteristic points (maximum, minimum and established) in the perforation. (author)

  7. Exploring Knowledge Exchange between Senior and Future Leaders: A Grounded-Theory Study

    ERIC Educational Resources Information Center

    Gonzaga, Stephanie Young

    2009-01-01

    A grounded theory study examined senior leaders methods of knowledge sharing with junior leaders in a small commercial mortgage company. The study was designed to develop an emergent theory to explain the cultural elements that influenced the methods leaders used to transfer knowledge to junior people. The study identified a systemic value of…

  8. Experimental study of a constrained vapor bubble fin heat exchanger in the absence of external natural convection.

    PubMed

    Basu, Sumita; Plawsky, Joel L; Wayner, Peter C

    2004-11-01

    In preparation for a microgravity flight experiment on the International Space Station, a constrained vapor bubble fin heat exchanger (CVB) was operated both in a vacuum chamber and in air on Earth to evaluate the effect of the absence of external natural convection. The long-term objective is a general study of a high heat flux, low capillary pressure system with small viscous effects due to the relatively large 3 x 3 x 40 mm dimensions. The current CVB can be viewed as a large-scale version of a micro heat pipe with a large Bond number in the Earth environment but a small Bond number in microgravity. The walls of the CVB are quartz, to allow for image analysis of naturally occurring interference fringes that give the pressure field for liquid flow. The research is synergistic in that the study requires a microgravity environment to obtain a low Bond number and the space program needs thermal control systems, like the CVB, with a large characteristic dimension. In the absence of natural convection, operation of the CVB may be dominated by external radiative losses from its quartz surface. Therefore, an understanding of radiation from the quartz cell is required. All radiative exchange with the surroundings occurs from the outer surface of the CVB when the temperature range renders the quartz walls of the CVB optically thick (lambda > 4 microns). However, for electromagnetic radiation where lambda < 2 microns, the walls are transparent. Experimental results obtained for a cell charged with pentane are compared with those obtained for a dry cell. A numerical model was developed that successfully simulated the behavior and performance of the device observed experimentally. PMID:15644365

  9. Cross-cultural exchange: How students can frustrate the aims of study abroad programmes

    NASA Astrophysics Data System (ADS)

    Barnes, Leslie R.

    1982-09-01

    Readily accepting that study abroad programmes may have as many differing forms and aims as there are participating institutions, and that by no means all programmes include academic content in their goals, I would nevertheless maintain: 1. that a sociological perspective is as necessary as the hitherto predominantly psychological approach in obtaining a balanced assessment of study abroad programmes;

  10. Three-dimensional tracer model study of atmospheric CO2 - Response to seasonal exchanges with the terrestrial biosphere

    Microsoft Academic Search

    I. Fung; K. Prentice; E. Matthews; J. Lerner; G. Russell

    1983-01-01

    A three-dimensional tracer transport model is used to investigate the annual cycle of atmospheric CO2 concentration produced by seasonal exchanges with the terrestrial biosphere. The tracer model uses winds generated by a global general circulation model to advect and convect CO2; no explicit diffusion coefficients are employed. A biospheric exchange function constructed from a map of net primary productivity, and

  11. Numerical study of a novel counter-flow heat and mass exchanger for dew point evaporative cooling

    Microsoft Academic Search

    X. Zhao; J. M. Li; S. B. Riffat

    2008-01-01

    The paper presents numerical investigation of a novel counter-flow heat and mass exchanger used in the indirect evaporative dew point cooling systems, a potential alternative to the conventional mechanical compression air conditioning systems. Numeric simulation was carried out to optimise the geometrical sizes and operating conditions of the exchanger in order to enhance the cooling (dew point and wet bulb)

  12. Numerical study of heat transfer in two-row heat exchangers having extended fin surfaces

    SciTech Connect

    Sheui, T.W.H.; Tsai, S.F.; Chiang, T.P. [National Taiwan Univ., Taipei (Taiwan, Province of China). Dept. of Naval Architecture and Ocean Engineering

    1999-05-28

    This paper reports on a three-dimensional study of air through two-row cylinder tubes. The analysis is intended to present a comparison of numerical and experimental data to validate the laminar flow postulation. The current study explores the influence of four perforated fin surfaces on the pressure drop and heat transfer rate. To gain further insight into the three-dimensional vortical flow structure, the authors conduct a topological study of the velocity field. Examination of the surface flow topology and the flow patterns at cross-flow plumes sheds some light on the complex interaction of the cylinder tube with the mainstream flow. This study clearly reveals a saddle point in front of the first row of cylinder tubes. Also clearly revealed by the computed solutions is a flow reversal found in the wake of the tube. The character of the critical-point-induced flow is also addressed. This study shows that the addition of perforated fins is not without deficiency. There is, in fact, a trade-off between the benefit of having an improved heat transfer and the penalty of having an increased pressure drop.

  13. Megha-Tropiques: a Joint French and Indian Mission to Study Water Cycle and Energy Exchanges in the Tropiques

    NASA Astrophysics Data System (ADS)

    Karouche, N.

    ISRO and CNES organisations have signed an agreement in May 2001 to carry out Phase B studies of the MEGHA-TROPIQUES mission. MEGHA-TROPIQUES is a satellite mission designed to study convective systems, focusing on the analysis of water cycle with water vapour distribution and transport, convective systems life cycle and energy exchanges in the tropical belt. The science goal is to increase the understanding of the energetic and hydrologic processes in the tropics and the way they influence the global circulation of the atmosphere and oceans and climate variability. To fulfil these objectives, the satellite will perform high repetitive measurements using a low inclination (20°) orbit . The MEGHA-TROPIQUES mission will fly a satellite carrying 3 scientific passive instruments which are : MADRAS Instrument : A multi-channels self calibrating microwave imager mainly aimed at studying precipitation and cloud properties. This instrument will measure brightness temperature of the atmosphere in various frequencies 18.7 GHz, 23.8GHz, 36.5 GHz, 89GHz, 157GHz. SAPHIR Instrument : A microwave instrument used to retrieve water vapour vertical profiles using the 183 GHz absorption line . SCARAB Instrument : An optical radiometer devoted to the measurement of outgoing radiative fluxes at the top of the atmosphere. The MEGHA-TROPIQUES satellite based on the PROTEUS multi-purpose bus is planned to be launched in 2006 by the PSLV launcher. The paper will present the current status of Phase B development and the main expected mission performances.

  14. A dual-genome Symbiosis Chip for coordinate study of signal exchange and development in a prokaryote–host interaction

    PubMed Central

    Barnett, Melanie J.; Toman, Carol J.; Fisher, Robert F.; Long, Sharon R.

    2004-01-01

    The soil-dwelling ?-proteobacterium Sinorhizobium meliloti engages in a symbiosis with legumes: S. meliloti elicits the formation of plant root nodules where it converts dinitrogen to ammonia for use by the plant in exchange for plant photosynthate. To study the coordinate differentiation of S. meliloti and its legume partner during nodule development, we designed a custom Affymetrix GeneChip with the complete S. meliloti genome and ?10,000 probe sets for the plant host, Medicago truncatula. Expression profiling of free-living S. meliloti grown with the plant signal molecule luteolin in defined minimal and rich media or of strains altered in the expression of key regulatory proteins (NodD1, NodD3, and RpoN) confirms previous data and identifies previously undescribed regulatory targets. Analyses of root nodules show that this Symbiosis Chip allows the study of gene expression in both partners simultaneously. Our studies detail nearly 5,000 transcriptome changes in symbiosis and document complex transcriptional profiles of S. meliloti in different environments. PMID:15542588

  15. Study on the occurrence of spontaneously established perpendicular exchange bias in Co49Pt51/IrMn bilayers

    NASA Astrophysics Data System (ADS)

    Tsai, C. Y.; Hsu, Jen-Hwa; Saravanan, P.; Lin, K. F.

    2014-05-01

    In this study, perpendicular exchange bias (PEB) effect in the as-grown Co49Pt51/IrMn bilayers was demonstrated at room temperature using single-layered Co49Pt51 alloy thin film as ferromagnetic (FM) layer. Several unusual features were observed in this system, viz.,: (i) the PEB was spontaneously established without any external magnetic field treatments, (ii) single-shifted loops were obtained rather than double-shifted ones, and (iii) the spontaneous PEB effect was accompanied by a reduction in perpendicular coercivity, Hc? from 1024 to 632 Oe. The results of x-ray diffraction revealed the formation of IrMn (111) texture. Training effect studies indicate that the PEB effect is stable in this system with less than 5% variation in PEB value within 15 repetitive scans. Significant reduction in the PEB effect was found for the CoPt/IrMn films either grown or subjected to post-annealing under external magnetic field (Hind). The thickness dependence of PEB effect with respect to the FM and antiferromagnetic layers were also investigated and a largest PEB value of 533 Oe was obtained for the sample grown with 3-nm thick CoPt and 10-nm thick IrMn layers. The results of present study thus establish an opportunity to realize PEB effect in the absence of external field during fabrication.

  16. Decomposition Pathways of Tetraalkylammonium Hydroxides: Experimental and DFT Studies and Their Implications for Alkaline Exchange Fuel Cell Membranes

    SciTech Connect

    Pivovar, B. S.; Edson, J. B.; Macomber, C. S.; Long, H.; Boncella, J. M.

    2012-01-01

    The mechanism of the thermal decomposition of a series of alkyl trimethyl ammonium hydroxides ([RMe{sub 3}N][OH], R = Et, n-Pr, i-Bu, PhCH{sub 2}, Me{sub 3}CCH{sub 2}) was studied using TGA, evolved gas analysis and NMR spectroscopy due to the importance of these and related ions in anion exchange fuel cell membranes. Isotopic labeling with deuterium showed that deprotonation of the methyl groups of the ammonium ions by deuteroxide establishes a rapid equilibrium between the tetraalkyl ammonium ions and the nitrogen ylide species and water that scrambles the deuterium with the proton on the methyl groups. The products of the thermal decomposition when R = Et, n-Pr, i-Bu are predominately olefins arising from Hoffmann elimination, while the neopentyl substituted ammonium ion gives only neopentyl trimethyl amine and methanol, the products of S{sub N}2 attack of hydroxide on the methyl groups. DFT studies of these reactions confirm the relative activation barriers that are observed in the experimental decomposition studies.

  17. Exchanging Ideas on Evaluation: Evaluating an Initial Management Skills Course: A Case Study.

    ERIC Educational Resources Information Center

    Lyman, Pat

    1979-01-01

    Describes an evaluation study of an interpersonal effectiveness management course for first-level supervisors. The evaluator collected information using graduate appraisal of course content, skill retention, measures, significant incident techniques, analysis of work products/records, appraisal of instructor, observation checklists, and…

  18. UTS CRICOS PROVIDER CODE: 00099F NOVEMBER 2012 Study Abroad and Exchange at UTS

    E-print Network

    University of Technology, Sydney

    99641 Point Location and Acupuncture Anatomy 99665 Chinese Medicine Foundations 1 99666 Chinese Medicine, provided you enrol in 24 credit points of full-time study. Science subjects are 6 credit points each. In other faculties at UTS, however, subjects are offered at different credit point levels, so it

  19. A Longitudinal Study of Teachers' Professional Development through an International Exchange

    ERIC Educational Resources Information Center

    Purves, Ross; Jackson, Anita; Shaughnessy, Julie

    2005-01-01

    The Teachers' International Professional Development (TIPD) Programme was launched by the British Council in 2000 in response to a Government Green Paper on teacher training. This provides opportunities for teachers to participate in international study visits to gain first-hand experience of good practice. As part of this programme, eighteen…

  20. A new metal exchanged zeolite for a present environmental problem. An in-situ XAS study

    NASA Astrophysics Data System (ADS)

    Alonso-Escobar, C.; Franch-Martí, C.; Palomares, A. E.; Rey, F.; Guilera, G.

    2013-04-01

    The medium pore zeolite, TNU-9, is prepared and studied for the selective catalytic reduction (SCR) of NO using C3H8 as the reducing agent. The catalytic activity of TNU-9 zeolites for the SCR is comparable to other known highly active zeolites but with the advantage of TNU-9 of having almost the same catalytic performance in the presence of H2O during reaction. The nature and behaviour of Cu and Co active sites contained in the TNU-9 catalysts have been studied under operation conditions using X-ray Absorption Spectroscopy (XAS) to understand the key parameters controlling the performance of this reaction.1 It was found that the well dispersed Cu and Co centres need to be in a mixed valence state to obtain good catalytic results for the SCR and that the catalytic performance is related to the topology of the TNU-9 itself.

  1. A NUMERICAL STUDY ON THE LOCK-EXCHANGE-TYPE LIQUID LEAK FROM AN UNDERWATER PIPE

    Microsoft Academic Search

    Museok Song

    2005-01-01

    A two-dimensional numerical method for inviscid two-fluid flows having a significant entrainment into both directions is established, and the oil leakage from a non-pressurized underwater pipe is studied in the Boussinesq limit. The interface between two fluids is modeled as a vortex sheet, and the flow field with the subsequent interface evolution is solved by using the vortex-in-cell\\/front- tracking method.

  2. Study on the exchange reaction of HDTMA with the inorganic cations in reference montmorillonites

    Microsoft Academic Search

    Seung Yeop Lee; Soo Jin Kim

    2003-01-01

    The adsorption of hexadecyltrimethylammonium (HDTMA) cations on swelling layer silicates (montmorillonites) was studied by\\u000a adsorption isotherms, X-ray diffraction, and electron microscopy. At low HDTMA concentrations, HDTMA ions started to be adsorbed\\u000a on interlayer sites of SWy montmorillonite, causing a preferential release of interlayer Na+ compared with Ca2+, while the lateral attraction between adsorbed HDTMA cations at edges or external surfaces

  3. Studies on a frustrated Heisenberg spin chain with alternating ferromagnetic and antiferromagnetic exchanges.

    PubMed

    Sahoo, Shaon; Durga Prasad Goli, V M L; Sen, Diptiman; Ramasesha, S

    2014-07-01

    We study Heisenberg spin-1/2 and spin-1 chains with alternating ferromagnetic (J(F)(1)) and antiferromagnetic (J(A)(1)) nearest-neighbor interactions and a ferromagnetic next-nearest-neighbor interaction (J(F)(2)). In this model frustration is present due to the non-zero J(F)(2). The model with site spin s behaves like a Haldane spin chain, with site spin 2s in the limit of vanishing J(F)(2)and large J(F)(1)/J(A)(1). We show that the exact ground state of the model can be found along a line in the parameter space. For fixed J(F)(1), the phase diagram in the space of J(A)(1)-J(F)(2) is determined using numerical techniques complemented by analytical calculations. A number of quantities, including the structure factor, energy gap, entanglement entropy and zero temperature magnetization, are studied to understand the complete phase diagram. An interesting and potentially important feature of this model is that it can exhibit a macroscopic magnetization jump in the presence of a magnetic field; we study this using an effective Hamiltonian. PMID:24935169

  4. Studies on a frustrated Heisenberg spin chain with alternating ferromagnetic and antiferromagnetic exchanges

    NASA Astrophysics Data System (ADS)

    Sahoo, Shaon; Durga Prasad Goli, V. M. L.; Sen, Diptiman; Ramasesha, S.

    2014-07-01

    We study Heisenberg spin-1/2 and spin-1 chains with alternating ferromagnetic \\left(J_{1}^{F}\\right) and antiferromagnetic \\left(J_{1}^{A}\\right) nearest-neighbor interactions and a ferromagnetic next-nearest-neighbor interaction \\left(J_{2}^{F}\\right) . In this model frustration is present due to the non-zero J_{2}^{F} . The model with site spin s behaves like a Haldane spin chain, with site spin 2s in the limit of vanishing J_{2}^{F} and large J_{1}^{F}/J_{1}^{A} . We show that the exact ground state of the model can be found along a line in the parameter space. For fixed J_{1}^{F} , the phase diagram in the space of J_{1}^{A}-J_{2}^{F} is determined using numerical techniques complemented by analytical calculations. A number of quantities, including the structure factor, energy gap, entanglement entropy and zero temperature magnetization, are studied to understand the complete phase diagram. An interesting and potentially important feature of this model is that it can exhibit a macroscopic magnetization jump in the presence of a magnetic field; we study this using an effective Hamiltonian.

  5. Monte Carlo study of the multiple exchange model in solid 3He

    NASA Astrophysics Data System (ADS)

    Matsumoto, Kazuyuki

    1990-08-01

    By the mean field approximation, the Stipdonk and Hetherington's (SH) model which explains magnetism of solid 3He exhibits two successive phase transitions at H=O. Experimentally, there is only one phase transition, however. Then more detailed analysis is needed to remove this discrepancy. In this study, the Monte Carlo simulation have done for the SH model. From the result, we can see that this mismatch is due to inaccuracy of the mean field approximation. We have also determined the phase boundary (U2D2-PARA and U2D2-HFP) in the H-T phase diagram.

  6. Measuring ligand exchange on the surface of gold nanoparticles: A study of competitive binding of ligands utilizing fluorescent resonance energy transfer

    NASA Astrophysics Data System (ADS)

    D'Unger, Daniel W.

    This study was conducted to track ligand exchange on the surface of metallic nanoparticles in order obtain a better understanding of binding strength of various functional groups. This study develops groundwork for further understanding ligand exchange as nanoparticles transition from engineered to natural systems. A problem exists in knowing the fate of these particles if they are released into natural systems, by accident or with intent. To gain a better understanding of what may occur we look at the binding strength of different ligands. This is done to gain knowledge of the possibility of displacement of ligands occurring in the environment. In order to monitor the binding strength of different ligands a new characterization technique utilizing the phenomena of Fluorescent Resonance Energy Transfer (FRET) is employed. This technique utilizes the quenching properties of gold nanoparticles and fluorescent-labeled ligands to monitor competitive binding between two ligands. The use of fluorescence allows for a sensitive measurement (on the nanomole scale) of ligand exchange on the surface of gold nanoparticles. This study was conducted in three different parts. The first one was conducted to monitor the competitive binding between bound ligands and incoming mono-functional ligands. This was accomplished by tagging five different functional ligands with a fluorescein-dye. As the fluorescein-terminated ligands exchange on the surface of gold nanoparticles a change in fluorescence intensity is observed. The second study was conducted in the same manner as the first, however this study monitored the effect of bi-functional ligands verse mono-functional ligands as well to monitor concentration effects. The third study conducted was done using a two-dye system. In these studies both the incoming and bound ligand were tagged with a fluorescent-dye. This was done to monitor direct exchange of ligands.

  7. A Study on a Perfaormance of Water-Spray-Type Ice Thermal Energy Storage Vessel with Vertical Heat Exchange Plates

    NASA Astrophysics Data System (ADS)

    Yoshimura, Kenji; Koyama, Shigeru; Fukuda, Toshihito; Ohba, Hideki

    A system with a water -embedded-type ice storage vessel is widely used because of its simple structure compactness. However, this ice storage vessel has a disadvantage, that is, the melting rate is very small. The use of falling water film seems to be one of promising ways for solving this disadvantage. We have found in our previous study that the use of the falling water film is very effective, especially for high initial water temperatures. In the present study, we examined the melting performance of a falling-water-film-type ice thermal energy storage vessel with practical size, having vertical heat exchange plates. The results obtained are as follows : the quantity of melting ice increases with increase of the water film flow rate, the melting rate decreases with time because ice surface are decreases with time gradually, the heat transfer coefficient of melting increases with increase of the water film flow rate, and the melting rate increases with increase of the water-spray temperature.

  8. A QUANTUM MECHANICAL STUDY OF STRUCTURAL AND ELECTRONIC DILUTION EFFECTS IN PARAMAGNETIC CHEMICAL EXCHANGE SATURATION TRANSFER AGENTS.

    PubMed

    Miller, Whelton A; Moore, Preston B

    2014-01-01

    We present a computational study of the effect of chemical modifications of the meta and para substituents in the coordinating pendant arm of a modified 1,4,7,10-tetraazacyclododecane-N, N', N?, N?-tetraamide (DOTAM) ligand on the Chemical Exchange Saturation Transfer (CEST) signal. Magnetic Resonance Imaging (MRI) is currently one of the most widely used techniques available. MRI has led to a new class of pharmaceuticals termed "imagining" or "contrast" agents. These agents usually work by incorporating lanthanide metals such as Gadolinium (Gd) and Europium (Eu). This allows the contrast agents to take advantage of the paramagnetic properties of the metals, which in turn enhances the signal detectable by MRI. The effect of simple electron-withdrawing (e.g., nitro) and electron-donating (e.g., methyl) substituents chemically attached to a modified chelate arm (pendant arm) is quantified by charge transfer interactions in the coordinated water-chelate system computed from quantum mechanics. This study attempts to reveal the origin of the substituent effect on the CEST signal and the electronic structure of the complex. We find that the extent of Charge Transfer (CT) depends on orbital orientations and overlaps. However, CT interactions occur simultaneously from all arms, which causes a dilution effect with respect to the pendant arm. PMID:25485283

  9. Upper bound for the s -d exchange integral in n -(Ga,Mn)N:Si from magnetotransport studies

    NASA Astrophysics Data System (ADS)

    Adhikari, R.; Stefanowicz, W.; Faina, B.; Capuzzo, G.; Sawicki, M.; Dietl, T.; Bonanni, A.

    2015-05-01

    A series of recent magneto-optical studies pointed to contradicting values of the s -d exchange energy N0? in Mn-doped GaAs and GaN as well as in Fe-doped GaN. Here, a strong sensitivity of weak-localization phenomena to symmetry-breaking perturbations (such as spin-splitting and spin-disorder scattering) is exploited to evaluate the magnitude of N0? for n -type wurtzite (Ga,Mn)N:Si films grown by metalorganic vapor phase epitaxy. Millikelvin magnetoresistance studies and their quantitative interpretation point to N0? <40 meV, a value at least 5 times smaller than the one found with similar measurements on, e.g., n -(Zn,Mn)O. It is shown that this striking difference in the values of the s -d coupling between n -type III-V and II-VI dilute magnetic semiconductors can be explained by a theory that takes into account the acceptor character of Mn in III-V compounds.

  10. exchange membranes

    Microsoft Academic Search

    W. Michaels; J. Vermeulen; R. D. Sanderson; D. G. Bessarabov

    The chemical modification of the surface of ion-exchange membranes (SPE, solid polymer electrolytes) provides new possibilities for applications of SPE-based membrane catalytic systems (1). Surface modification can considerably influence the surface properties of the membrane. In the case of catalyst deposition on the modified membrane, the profile of the catalyst particles within the membrane and their size can be alternated

  11. Microtube strip heat exchanger

    NASA Astrophysics Data System (ADS)

    Doty, F. D.

    1990-12-01

    Doty Scientific (DSI) believes their microtube-strip heat exchanger will contribute significantly to the following: (1) the closed Brayton cycles being pursued at MIT, NASA, and elsewhere; (2) reverse Brayton cycle cryocoolers, currently being investigated by NASA for space missions, being applied to MRI superconducting magnets; and (3) high-efficiency cryogenic gas separation schemes for CO2 removal from exhaust stacks. The goal of this current study is to show the potential for substantial progress in high-effectiveness, low-cost, gas-to-gas heat exchangers for diverse applications at temperatures from below 100 K to above 1000 K. To date, the highest effectiveness measured is about 98 percent and relative pressure drops below 0.1 percent with a specific conductance of about 45 W/kgK are reported. During the pre-award period DSI built and tested a 3-module heat exchanger bank using 103-tube microtube strip (MTS) modules. To add to their analytical capabilities, DSI has acquired computational fluid dynamics (CFD) software. This report describes the pre-award work and the status of the ten tasks of the current project, which are: analyze flow distribution and thermal stresses within individual modules; design a heat exchanger bank of ten modules with 400 microtube per module; obtain production quality tubestrip die and AISI 304 tubestrips; obtain production quality microtubing; construct revised MTS heat exchanger; construct dies and fixtures for prototype heat exchanger; construct 100 MTS modules; assemble 8 to 10 prototype MTS heat exchangers; test prototype MTS heat exchanger; and verify test through independent means.

  12. Microtube Strip Heat Exchanger

    SciTech Connect

    Doty, F.D.

    1990-12-27

    Doty Scientific (DSI) believes their Microtube-Strip Heat Exchanger will contribute significantly to (a) the closed Brayton cycles being pursued at MIT, NASA, and elsewhere; (b) reverse Brayton cycle cryocoolers, currently being investigated by NASA for space missions, being applied to MRI superconducting magnets; and (c) high-efficiency cryogenic gas separation schemes for CO{sub 2} removal from exhaust stacks. The goal of this current study is to show the potential for substantial progress in high-effectiveness, low-cost, gas-to-gas heat exchangers for diverse applications at temperatures from below 100 K to above 1000 K. To date, the highest effectiveness measured is about 98%, and relative pressure drops below 0.1% with a specific conductance of about 45 W/kgK are reported. During the pre-award period DSI built and tested a 3-module heat exchanger bank using 103-tube microtube strip (MTS) modules. To add to their analytical capabilities, DSI has acquired computational fluid dynamics (CFD) software. This report describes the pre-award work and the status of the ten tasks of the current project, which are: analyze flow distribution and thermal stresses within individual modules; design a heat exchanger bank of ten modules with 400 microtube per module; obtain production quality tubestrip die and AISI 304 tubestrips; obtain production quality microtubing; construct revised MTS heat exchanger; construct dies and fixtures for prototype heat exchanger; construct 100 MTS modules; assemble 8-10 prototype MTS heat exchangers; test prototype MTS heat exchanger; and verify test through independent means. 7 refs., 9 figs. 1 tab. (CK)

  13. Coworker exchange: Relationships between coworkers, leader-member exchange, and work attitudes

    Microsoft Academic Search

    Kathryn M. Sherony; Stephen G. Green

    2002-01-01

    The study of leadership exchanges is extended by studying both leader-member exchanges (LMXs) and coworker exchanges (CWXs). Data from 110 coworker dyads were used to examine relationships between LMXs and CWXs and between exchange relationships and work attitudes. As predicted, the interaction between 2 coworkers' LMX scores predicted CWX quality for the coworker dyad. Also, after controlling for LMX, greater

  14. PHYSICAL REVIEW B 84, 224437 (2011) Ab initio study of the intrinsic exchange bias at the SrRuO3/SrMnO3 interface

    E-print Network

    Tennessee, University of

    2011-01-01

    PHYSICAL REVIEW B 84, 224437 (2011) Ab initio study of the intrinsic exchange bias at the SrRuO3/Sr, and it is only active in heterostructures involving multiferroics. Using the SrRuO3/SrMnO3 superlattice

  15. Study of kinetic and fixed bed operation of removal of sulfate anions from an industrial wastewater by an anion exchange resin

    Microsoft Academic Search

    Reza Haghsheno; Ali Mohebbi; Hassan Hashemipour; Amir Sarrafi

    2009-01-01

    Sulfate anions represent very important wastewater pollutants, which appear in the effluents discharged from copper mines. In this study, for the first time, an attempt has been made on the removal of sulfate anions by an ion exchange resin. This work is focused on the removal of sulfate anions from the Sarcheshmeh copper complex (Kerman province, Southeast of Iran) wastewater

  16. Simulation study of a hybrid absorber–heat exchanger using hollow fiber membrane module for the ammonia–water absorption cycle

    Microsoft Academic Search

    Junghui Chen; Hsuan Chang; Siang-Ru Chen

    2006-01-01

    An innovative hybrid hollow fiber membrane absorber and heat exchanger (HFMAE) made of both porous and nonporous fibers is proposed and studied via mathematical simulation. The porous fibers allow both heat and mass transfers between absorption solution phase and vapor phase, while the nonporous fibers allow heat transfer between absorption solution phase and cooling fluid phase only. The application of

  17. Introduction Literature Review Supply Chain Network Model Simulation Studies Managerial Insights and Conclusions Supply Chain Outsourcing Under Exchange Rate Risk and

    E-print Network

    Nagurney, Anna

    Introduction Literature Review Supply Chain Network Model Simulation Studies Managerial Insights at Amherst INFORMS 2011 Northeastern Conference, May 6-7, 2011 #12;Introduction Literature Review Supply Literature review Supply chain network with outsourcing under exchange rate risk and competition Simulation

  18. Nuclear microanalysis of the human amnion: A study of ionic cellular exchanges

    NASA Astrophysics Data System (ADS)

    Razafindrabe, L.; Moretto, Ph.; Llabador, Y.; Simonoff, M.; Bara, M.; Guiet-Bara, A.

    1995-09-01

    The epithelial cells of the human amniotic membrane have been extensively studied by electrophysiologists with the aim of elucidating the mechanisms of transmembrane ionic transfers. In order to provide complementary information about this model, nuclear microanalysis was performed using the CENBG ion microbeam. Quantitative mapping of the human amnion was carried out and the distributions of most mono- and divalent ions involved in cellular pathways (Na +, Mg 2+, Cl -, Ca 2+) were determined. The ionic cellular content was also compared, before and after incubation in a Hanks' physiological fluid and the resultant ions transfers were determined. The aim of this paper is to expose the advances of this experimental model, more particularly after the development of simulation programs which improved the accuracy of PIXE analysis in the measurement of low energy X-rays emitters. Statistically significant results can now be extracted and can be explained taking into account the results of previous electrophysiological experiments.

  19. NMR study of the exchange rates of allosterically responsive labile protons in the heme pockets of hemoglobin A.

    PubMed Central

    Jue, T; La Mar, G N; Han, K; Yamamoto, Y

    1984-01-01

    1H NMR spectroscopy has been used to measure the proximal histidyl labile ring proton (NH) rates of exchange with bulk solvent in the individual subunits of hemoglobin (Hb) A. These protons displayed a substantial decrease in their exchange rates in comparison with related monomeric proteins and exhibited sensitivity to the quarternary state. With the beta subunit NH, the exchange behaviour was similar to an allosterically responsive subset of protons, which have been identified using 1H-3H methods (Englander, J.J., R. Rogero, and S. W. Englander, 1983, J. Mol. Biol. 169:325-344). Assuming similar exchange mechanisms for the two subunits, the NMR data suggested a more flexible alpha than beta subunit in Hb A. PMID:6331541

  20. High-resolution studies of charge exchange in supernova remnants with Magellan, XMM-Newton, and Micro-X

    E-print Network

    Heine, Sarah Nicole Trowbridge

    2014-01-01

    Charge exchange, the semi-resonant transfer of an electron from a neutral atom to an excited state in an energetic ion, can occur in plasmas where energetic ions are incident on a cold, at least partially neutral gas. ...

  1. Numerical Study of Convective Heat Transfer in Flat Tube Heat Exchangers Operating in Self-Sustained Oscillatory Flow Regimes 

    E-print Network

    Fullerton, Tracy

    2012-02-14

    Laminar, two-dimensional, constant-property numerical simulations of flat tube heat exchanger devices operating in flow regimes in which self-sustained oscillations occur were performed. The unsteady flow regimes were transition flow regimes...

  2. Photoexcitation and ionization in carbon dioxide - Theoretical studies in the separated-channel static-exchange approximation

    NASA Technical Reports Server (NTRS)

    Padial, N.; Csanak, G.; Mckoy, B. V.; Langhoff, P. W.

    1981-01-01

    Vertical-electronic static-exchange photoexcitation and ionization cross sections are reported which provide a first approximation to the complete dipole spectrum of CO2. Separated-channel static-exchange calculations of vertical-electronic transition energies and oscillator strengths, and Stieltjes-Chebyshev moment methods were used in the development. Detailed comparisons were made of the static-exchange excitation and ionization spectra with photoabsorption, electron-impact excitation, and quantum-defect estimates of discrete transition energies and intensities, and with partial-channel photoionization cross sections obtained from fluorescence measurements and from tunable-source and (e, 2e) photoelectron spectroscopy. Results show that the separate-channel static-exchange approximation is generally satisfactory in CO2.

  3. Study of Nonlinear Wave Propagation Theory. III. Removing Heavy Metals from Wastewater by Ion-Exchange Process

    Microsoft Academic Search

    JIA-MING CHERN; FANG-CHING CHANG

    2000-01-01

    The nonlinear wave propagation theory has been applied to predict the breakthrough and regeneration curves of ion-exchange columns for heavy metal removal. Batch experimental tests using IRC-718 cationic resin were conducted to obtain the ion-exchange equilibria of H\\/Cu and H\\/Ni systems, and column tests were conducted to obtain the breakthrough and regeneration curves under various operating conditions. The batch experimental

  4. Plasma-exchange therapy in chronic inflammatory demyelinating polyneuropathy: A double-blind, sham-controlled, cross-over study

    Microsoft Academic Search

    A. F. Hahn; C. F. Bolton; N. Pillay; C. Chalk; T. Benstead; V. Bril; K. Shumak; M. K. Vandervoort; T. E. Feasby

    1996-01-01

    Summary Eighteen patients with definite, untreated chronic inflam- matory demyelinating polyradiculoneuropathy (CIDP) of chronic progressive (nine patients) or relapsing course (nine patients) were randomizedprospectively to receive 10plasma- exchange (PE) or sham plasma-exchange (SPE) treatments over 4 weeks in a double-blind trial. After a wash-out period of 5 weeks or when they returned to baseline scores, patients were crossed over to

  5. Microwave permeability study for antiferromagnet thickness dependence on exchange bias field in NiFe\\/lrMn layers

    Microsoft Academic Search

    S. Queste; S. Dubourg; O. Acher; J.-C. Soret; K.-U. Barholz; R. Mattheis

    2005-01-01

    Exchange biasing properties were investigated in NiFe\\/lrMn bilayers tuning the IrMn thickness from 17 to 150Å. The microwave permeability of these layers has been investigated in the 100MHz to 4GHz range using a permeameter based on a microstrip cell. The effective field deduced from the complex permeability spectra resonance has been compared with the exchange bias and coercive field deduced

  6. A numerical study of surface-subsurface exchange processes at a riffle-pool pair in the Lahn River, Germany

    Microsoft Academic Search

    Nicole Saenger; Peter K. Kitanidis

    2005-01-01

    Hyporheic exchange is an ecologically important process, controlling the nutrient supply in the upper sediments and thus benthic habitat quality. Hydraulic exchange at a riffle-pool sequence in the Lahn River, Germany, was analyzed using HEC-RAS to simulate the surface water flow as a boundary for the subsurface flow and MODFLOW, MODPATH, and MT3DMS to reproduce the transport in the subsurface.

  7. NaCa Exchange and the Trigger for Sarcoplasmic Reticulum Ca Release: Studies in Adult Rabbit Ventricular Myocytes

    Microsoft Academic Search

    Sheldon E. Litwin; Jun Li; John H. B. Bridge

    1998-01-01

    The importance of Na-Ca exchange as a trigger for sarcoplasmic reticulum (SR) Ca release remains controversial. Therefore, we measured whole-cell Ca currents (ICa), Na-Ca exchange currents (INaCa), cellular contractions, and intracellular Ca transients in adult rabbit cardiac myocytes. We found that changing pipette Na concentration markedly affected the relationship between cell shortening (or Ca transients) and voltage, but did not

  8. Kinetic study of the removal of dimethyl phthalate from an aqueous solution using an anion exchange resin.

    PubMed

    Xu, Zhengwen; Cheng, Ling; Shi, Jing; Lu, Jiangang; Zhang, Weiming; Zhao, Yunlong; Li, Fengying; Chen, Mindong

    2014-05-01

    Phthalate acid esters are becoming an important class of pollutants in wastewaters. This study addresses the kinetics of removal of dimethyl phthalate (DMP) using the anion exchange resin D201-OH from an aqueous solution. The effects of various factors on the removal rate and efficiency were investigated. An overall initial removal rate (OIRR) law and a pseudo first-order kinetic (PFOK) model were also developed. The internal diffusion of DMP within the resin phase of D201-OH is the rate-controlling step. Optimization of the particle size and pore structure of the resin D201-OH, the DMP concentration, and the reaction temperature can improve the DMP removal rate. The hydrolysis reaction of DMP catalyzed by D201-OH indicates an overall reaction order of 1.76, a value that is between the first order and the second order. The apparent activation energy of the reaction is 34.6 kJ/mol, which is below the homogeneous alkaline hydrolysis activation energy of 44.3 kJ/mol. The OIRR law can quantify the initial removal rate under different conditions. The results also show that the theoretical DMP removal efficiency predicted by the PFOK model agrees well with the experimentally determined values. Our research provides valuable insights into the primary parameters influencing the kinetic process, which enables a focused improvement in the removal or hydrolysis rate for similar processes. PMID:24510529

  9. Study of acetylene poisoning of Pt cathode on proton exchange membrane fuel cell spatial performance using a segmented cell system

    NASA Astrophysics Data System (ADS)

    Reshetenko, Tatyana V.; St-Pierre, Jean

    2015-08-01

    Acetylene is a welding fuel and precursor for organic synthesis, which requires considering it to be a possible air pollutant. In this work, the spatial performance of a proton exchange membrane fuel cell exposed to 300 ppm C2H2 and different operating currents was studied with a segmented cell system. The injection of C2H2 resulted in a cell performance decrease and redistribution of segments' currents depending on the operating conditions. Performance loss was 20-50 mV at 0.1-0.2 A cm-2 and was accompanied by a rapid redistribution of localized currents. Acetylene exposure at 0.4-1.0 A cm-2 led to a sharp voltage decrease to 0.07-0.13 V and significant changes in current distribution during a transition period, when the cell reached a voltage of 0.55-0.6 V. A recovery of the cell voltage was observed after stopping the C2H2 injection. Spatial electrochemical impedance spectroscopy (EIS) data showed different segments' behavior at low and high currents. It was assumed that acetylene oxidation occurs at high cell voltage, while it reduces at low cell potential. A detailed analysis of the current density distribution, its correlation with EIS data and possible C2H2 oxidation/reduction mechanisms are presented and discussed.

  10. Fermi arcs, pseudogap, and collective excitations in doped Sr2IrO4: A generalized fluctuation exchange study

    NASA Astrophysics Data System (ADS)

    Wang, Hu; Yu, Shun-Li; Li, Jian-Xin

    2015-04-01

    Motivated by recent experimental measurements, we study the quasiparticle spectra and the collective excitations in doped Sr2IrO4 , in which the interesting interplay between the electronic correlations and strong spin-orbital coupling (SOC) exists. To include the SOC, we use the Hugenholtz diagrams to extend the fluctuation exchange (FLEX) approach to the case where the SU(2) symmetry can be broken. By using this generalized FLEX method, we find a weak pseudogap behavior near (? ,0 ) in the slightly electron-doped system, with the corresponding Fermi arc formed by the partial destruction of Fermi surface. Similar features also appear in the hole-doped system; however, the position of the Fermi arc is rotated 45° with respect to the former. These results are consistent with the recent angle-resolved photoemission spectra in Sr2IrO4 . We suggest that these anomalous phenomena are caused by the scatterings of quasiparticles off the isospin fluctuation derived from the effective Jeff=1 /2 doublet.

  11. [Studies on siderophore exchange properties between staphylococci and various species of gram-positive and gram-negative bacteria].

    PubMed

    Szarapi?ska-Kwaszewska, J; Mikucki, J

    1999-01-01

    The ability of iron utilizing by means of staphylococcal siderophores by bacteria belonging to genera: Acinetobacter, Corynebacterium, Curtobacterium, Clavibacter, Bacillus and Mycobacterium was investigated. The staphylococcal donor strains (18 species) used in these experiments were characterized by the ability to utilize siderophores produced by various strains belonging to aforenamed genera. The utilization of staphylococcal siderophores was studied on agar media in which minimally effective concentrations of ethylenediaminedi-ortho-hydroxyphenylacetic acid (EDDA) were used to inhibit indicator strains. Test colonies (staphylococcal) were applied to the surface of the media to determine whether the indicator organisms could obtain the required iron for growth by utilizing chelators from the test colony. The growth inhibition by EDDA of most strains from the Acinetobacter rods and from the coryneform-organisms (plant pathogen) genera, and strains from the species: B. subtilis, M. phlei, M. smegmatis, M. fortuitum was reversed by staphylococcal siderophores. None of the staphylococcal strains investigated, had the ability to exchange siderophores with strains from the species: C. pseudodiphtheriticum, Corynebacterium ANF group, B. megaterium, M. vaccae, M. chitae and M. parafortuitum. PMID:10803251

  12. Language and Development in Multilingual Settings: A Case Study of Knowledge Exchange and Teacher Education in South Africa

    NASA Astrophysics Data System (ADS)

    Rassool, Naz; Edwards, Viv; Bloch, Carole

    2006-12-01

    The quality of a country's human-resource base can be said to determine its level of success in social and economic development. This study focuses on some?of the major human-resource development issues that surround the implementation of South Africa's policy of multilingualism in education. It begins by discussing the relationship between knowledge, language, and human-resource, social and economic development within the global cultural economy. It then considers the situation in South Africa and, in particular, the implications of that country's colonial and neo-colonial past for attempts to implement the new policy. Drawing on the linguistic-diversity-in-education debate in the United Kingdom of the past three decades, it assesses the first phase of an in-service teacher-education programme that was carried out at the Project for Alternative Education in South Africa (PRAESA) based at the University of Cape Town. The authors identify key short- and long-term issues related to knowledge exchange in education in multilingual societies, especially concerning the use of African languages as mediums for teaching and learning.

  13. The analysis of exchanges in tritium-labelled meiotic chromosomes

    Microsoft Academic Search

    G. H. Jones

    1971-01-01

    The autoradiographic analysis of exchanges in tritium-labelled meiotic chromosomes is potentially a useful approach to the study of meiotic exchange events since this method differentially labels meiotic chromatids along their entire length. The main problem encountered in earlier autoradiographic studies is that of distinguishing label exchanges generated at chiasmata from label exchanges generated by sister chromatid exchange. This problem was

  14. Job Exchange

    NSDL National Science Digital Library

    1998-01-01

    Job Exchange, provided by BioMedNet (discussed in the February 14, 1997 Scout Report) is a searchable database of jobs in molecular biology, genetics, general biology, and the biomedical sciences. Employment opportunities are updated frequently and may be searched or browsed by position type (Academic/Research Institution, Government/Private Research, Hospital/Medical Institution, Industry/Other), international region, or specialty. Typical returns include full job details, including summary of duties, salary range, duration of position, and contact information.

  15. A study of spin-flipping in sputtered IrMn using Py-based exchange-biased spin-valves

    Microsoft Academic Search

    R. Acharyya; H. Y. T. Nguyen; W. P. Pratt; J. Bass

    2011-01-01

    To study spin-flipping within the antiferromagnet IrMn, we extended prior current-perpendicular-to-plane giant magnetoresistance studies of Permalloy (Py)-based exchange-biased-spin-valves containing IrMn inserts to thicker IrMn layers--5 nm <= tIrMn = 5 nm, but rather became constant to within our measuring uncertainty. This constant looks to be due mostly to a new, small magnetoresistance in thin Py layers. The constant complicates isolating

  16. The study of thiophene adsorption onto La(III)-exchanged zeolite NaY by FT-IR spectroscopy.

    PubMed

    Tian, Fuping; Wu, Weicheng; Jiang, Zongxuan; Liang, Changhai; Yang, Yongxing; Ying, Pinliang; Sun, Xiuping; Cai, Tianxi; Li, Can

    2006-09-15

    Zeolites NaY and LaNaY (ion-exchanged with aqueous lanthanum nitrate solution) were used as adsorbents for removing organic sulfur compounds from model gasoline solutions (without and with toluene) and fluid catalytic cracked gasoline in fixed-bed adsorption equipment at room temperature and atmosphere pressure. The adsorptive selectivity for organic sulfur compounds was significantly increased when Na(+) ions in zeolite NaY were exchanged with lanthanum ions. IR spectra of thiophene adsorption indicate that thiophene is adsorbed onto La(3+) ions via direct S-La(3+) interaction and Na(+) ions via pi-electronic interaction for La(3+)-exchanged zeolite NaY, but only via pi-electronic interaction with Na(+) ions for NaY. The amount of adsorbed thiophene on La(3+)-exchanged zeolite Y was slightly decreased by coadsorption of benzene, but greatly reduced on NaY. The adsorption of thiophene via interaction with La(3+) on La(3+)-exchanged zeolite Y is hardly replaced by benzene coadsorption. The direct S-La(3+) interaction might be the essential reason for the evidently improved adsorptive selectivity of LaNaY for removing organic sulfur compounds from solutions containing large amount of aromatics. PMID:16765370

  17. Ion-Exchange Procedure Developed for Isolation of Element 106 (Seaborgium) and Study of Its Chemistry in H2SO4 and H2SO4\\/HF Solutions, with W as Imitator

    Microsoft Academic Search

    L. I. Guseva; G. S. Tikhomirova

    2002-01-01

    Ion-exchange behavior of W, Hf, Sr (homologs of elements 106, 104, and 102, respectively), U (pseudohomolog of element 106), Cm, and Eu in H2SO4 and H2SO4\\/HF solutions was studied. The static and dynamic ion-exchange properties of these elements were determined as influenced by the solution composition and the nature of the ion exchanger. The best conditions were found for separating

  18. Quantum mechanical study of the proton exchange in the ortho-para H2 conversion reaction at low temperature.

    PubMed

    Honvault, P; Jorfi, M; González-Lezana, T; Faure, A; Pagani, L

    2011-11-14

    Ortho-para H(2) conversion reactions mediated by the exchange of a H(+) proton have been investigated at very low energy for the first time by means of a time independent quantum mechanical (TIQM) approach. State-to-state probabilities and cross sections for H(+) + H(2) (v = 0, j = 0,1) processes have been calculated for a collision energy, E(c), ranging between 10(-6) eV and 0.1 eV. Differential cross sections (DCSs) for H(+) + H(2) (v = 0, j = 1) ? H(+) + H(2) (v' = 0, j' = 0) for very low energies only start to develop a proper global minimum around the sideways scattering direction (?? 90°) at E(c) = 10(-3) eV. Rate coefficients, a crucial information required for astrophysical models, are provided between 10 K and 100 K. The relaxation ortho-para process j = 1 ? j' = 0 is found to be more efficient than the j = 0 ? j' = 1 conversion at low temperatures, in line with the extremely small ratio between the ortho and para species of molecular hydrogen predicted at the temperature of interstellar cold molecular clouds. The results obtained by means of a statistical quantum mechanical (SQM) model, which has previously proved to provide an adequate description of the dynamics of the title reactions at a higher collision energy regime, have been compared with the TIQM results. A reasonable good agreement has been found with the only exception of the DCSs for the H(+) + H(2) (v = 0, j = 1) ? H(+) + H(2) (v' = 0, j' = 0) process at very low energy. SQM cross sections are also slightly below the quantum results. Estimates for the rate coefficients, in good accord with the TIQM values, are a clear improvement with respect to pioneering statistical studies on the reaction. PMID:21964447

  19. Existence of a noncanonical state of iron-bound transferrin at endosomal pH revealed by hydrogen exchange and mass spectrometry.

    PubMed

    Bobst, Cedric E; Zhang, Mingxuan; Kaltashov, Igor A

    2009-05-22

    Transferrin (Tf) is an enigmatic metalloprotein that exhibits a profound conformational change upon binding of ferric ion and a synergistic anion (oxalate or carbonate). While the apo and holo forms of the protein have well-defined and stable conformations termed "open" and "closed," certain aspects of Tf behavior imply the existence of alternative protein states. In this work, hydrogen/deuterium exchange was used in combination with mass spectrometry to map solvent-accessible surfaces of the iron-bound and iron-free forms of the N-terminal lobe of human serum Tf at both neutral and endosomal pH levels. While the deuterium uptake is significantly decelerated in the iron-bound state of the protein (compared with the apo form) at neutral pH, the changes are distributed very unevenly across the protein sequence. Protein segments exhibiting most noticeable gain in protection map onto the interdomain cleft region housing the iron-binding site. At the same time, protection levels of segments located in the bulk of the protein are largely unaffected by the presence of the metal. These observations are fully consistent with the notion of a metal-induced switch from the open to the closed conformation with solvent-inaccessible interdomain cleft. However, differences in the exchange behavior between the apo and holo forms of Tf become much less noticeable at endosomal pH, including the segments located in the interdomain cleft region. Intriguingly, a significant patch in the cleft region becomes slightly less protected in the presence of the metal, suggesting that the holoprotein exists in the open conformation under these slightly acidic conditions. The existence of a noncanonical state of holoTf was postulated several years ago; however, this work provides, for the first time, conclusive evidence that such alternative states are indeed populated in solution. PMID:19324057

  20. Heat exchanger

    DOEpatents

    Brackenbury, P.J.

    1983-12-08

    A heat exchanger comparising a shell attached at its open end to one side of a tube sheet and a detachable head connected to the other side of said tube sheet. The head is divided into a first and second chamber in fluid communication with a nozzle inlet and nozzle outlet, respectively, formed in said tube sheet. A tube bundle is mounted within said shell and is provided with inlets and outlets formed in said tube sheet in communication with said first and second chambers, respectively.

  1. Agriculture on Exchange InternationalExchangeProgram

    E-print Network

    Viglas, Anastasios

    Agriculture on Exchange InternationalExchangeProgram Students enrolled in courses offered through the Faculty of Agriculture and Environment are welcome to apply for exchange. However, to ensure that you Academic Adviser before submitting an exchange application. Undergraduate Agriculture students normally go

  2. A comparative study of the gas exchange potential between three wetland species using sulfur hexafluoride as a tracer

    Microsoft Academic Search

    N Salhani; E Stengel

    2001-01-01

    The gas-exchange potential of three wetland species (helophytes) was examined in an aquatic model vegetation facility (AMOVA) using sulfur hexafluoride (SF6) as a tracer. Three beds containing gravel and vegetated with Phragmitesaustralis, Typhalatifolia and Schoenoplectuslacustris were compared to an unvegetated gravel bed as a reference. A mass balance of SF6 emissions revealed a different seasonal emission pattern for the three

  3. Study of oxygen isotopic exchange over ultraviolet irradiated anatase samples and comparison with the photooxidation to isobutane into acetone

    Microsoft Academic Search

    Henri Courbon; M. Formeti; Pierre Pichat

    1977-01-01

    Oxygen isotopic exchange (OIE) measurements have been carried out over UV irradiated anatase samples. At room temperature, simultaneous action of TiOâ and UV light is needed for OIE which proceeds via a mechanism involving one oxygen surface atom at a time. For various anatase samples, the photocatalytic activities per unit of catalyst area for OIE and for isobutane oxidation (IOX)

  4. Native American-Native Siberian Cultural Exchange: Ancient Tribal Connections Come to Light in Monument Valley Study Program.

    ERIC Educational Resources Information Center

    Hubbard, Pat

    1998-01-01

    Describes the 1995-97 student exchange program between the Navajo Nation in San Juan School District, Utah, and the Khanty-Mansisk region of Siberia. Similarities were found in language, string games, folk tales, sweat lodges, clan traditions, traditional arts and crafts, and stories of ancient meetings between the two peoples and use of the…

  5. Hyperpolarized Xenon-129 Gas-Exchange Imaging of Lung Microstructure: First Case Studies in Subjects with Obstructive Lung Disease

    PubMed Central

    Dregely, Isabel; Mugler, John P.; Ruset, Iulian C.; Altes, Talissa A.; Mata, Jaime F.; Miller, G. Wilson; Ketel, Jeffrey; Ketel, Steve; Distelbrink, Jan; Hersman, F.W.; Ruppert, Kai

    2011-01-01

    Purpose To develop and test a method to non-invasively assess the functional lung microstructure. Materials and Methods The Multiple exchange time Xenon polarization Transfer Contrast technique (MXTC) encodes xenon gas-exchange contrast at multiple delay times permitting two lung-function parameters to be derived: 1) MXTC-F, the long exchange-time depolarization value, which is proportional to the tissue to alveolar-volume ratio and 2) MXTC-S, the square root of the xenon exchange-time constant, which characterizes thickness and composition of alveolar septa. Three healthy volunteers, one asthmatic and two COPD (GOLD stage I and II) subjects were imaged with MXTC MRI. In a subset of subjects, hyperpolarized xenon-129 ADC MRI and CT imaging were also performed. Results The MXTC-S parameter was found to be elevated in subjects with lung disease (p-value = 0.018). In the MXTC-F parameter map it was feasible to identify regional loss of functional tissue in a COPD patient. Further, the MXTC-F map showed excellent regional correlation with CT and ADC (? ? 0.90) in one COPD subject. Conclusion The functional tissue-density parameter MXTC-F showed regional agreement with other imaging techniques. The newly developed parameter MXTC-S, which characterizes the functional thickness of alveolar septa, has potential as a novel biomarker for regional parenchymal inflammation or thickening. PMID:21509861

  6. The Role of Learned Societies in Knowledge Exchange and Dissemination: The Case of the Regional Studies Association, 1965-2005

    ERIC Educational Resources Information Center

    Hopkins, James

    2011-01-01

    This paper discusses the role of learned societies in knowledge exchange and dissemination. It attempts to "map" the organisations that are considered to reside under the term and discusses how they have developed through history. In doing so, it seeks to highlight that whilst several types of organisations inhabit the landscape of learned…

  7. Improved method and case study of thermal response test for borehole heat exchangers of ground source heat pump system

    Microsoft Academic Search

    Huajun Wang; Chengying Qi; Hongpu Du; Jihao Gu

    2010-01-01

    Thermal response test (TRT) is crucial for the determination of the ground thermal conductivity and the evaluation of the thermal performance of borehole heat exchangers (BHEs) of ground source heat pump (GSHP) system. This paper presented a novel constant heating-temperature method (CHTM) for TRT. Further, a type of improved TRT equipment was developed and the mathematical model to deal with

  8. Cation-anion versus cation-framework interactions in sodalites: First-principles study of model Cu-exchanged sodalites

    NASA Astrophysics Data System (ADS)

    Bernasconi, L.; Fois, E.; Selloni, A.

    1999-05-01

    We present Local Density Functional calculations of the structural and electronic properties of halosodalite systems in which the Na+ cations are progressively exchanged by Cu+. The calculated lattice constant decreases with increasing Cu loading up to about two Cu/cage, while it is approximately independent of Cu content at higher loadings, in qualitative agreement with experimental observations for silver-exchanged sodalites. The reduction of the lattice parameter is accompanied by the formation of partially covalent Cu-X bonds (X=Cl, Br). The length of these bonds increases with increasing the number of Cu ions per cage, resulting in a simultaneous reduction of Cu-framework distances. For fully exchanged sodalites, the competition between Cu-X and Cu-framework interactions leads to a splitting of the enclosed Cu4X3+ aggregates in fragments. In the electronic density of states, Cu 3d states give rise to a narrow band above the top of the valence band of natural sodalite. Thus the band gap is strongly reduced w.r.t. that of natural sodalite, consistent with experiments for silver-exchanged sodalites. This reduction of the gap is largely independent of the Cu content, i.e., it already occurs at low Cu loading.

  9. Intra-molecular magnetic exchange interaction in the tripyridinium bis[tetrachloroferrate(iii)] chloride molecular magnet: a broken symmetry-DFT study.

    PubMed

    Baniasadi, F; Tehranchi, M M; Fathi, M B; Safari, N; Amani, V

    2015-07-15

    The investigation of magnetic ordering in magnetic molecular conductors is the subject of ongoing research studies in the fields of condensed matter physics, chemistry and material sciences. Following the photo-magnetic behavior already observed in individual (FeCl4)2(py·H)3Cl molecules at room temperature, magnetic ordering is studied in this work. Calculations are performed using spin projected broken symmetry via density functional theory within the scheme of the B3LYP approximation. The value of the intra-molecular magnetic coupling constant is obtained as J = 13.2062 kJ mol(-1). A field dependent magnetization experiment is conducted to validate the magnitude and the sign of the exchange constant. Reasonable consistency of experimental and theoretical results confirms the presence of a positive intra-molecular indirect exchange interaction. This work paves the way for possible introduction of a new molecule in the development of advanced molecular electronic devices. PMID:26126887

  10. [Time-evolution study on the cation exchange in the process of reinforcing slip soil by laser-induced breakdown spectroscopy].

    PubMed

    Liu, Lu-Wen; Zeng, Wei-Li; Zhu, Xiang-Fei; Wu, Jin-Quan; Lin, Zhao-Xiang

    2014-03-01

    In the present paper, the time evolution study on slip soils treated by different proportions of ionic soil stabilizer (ISS) water solution was conducted by the LIBS system and the relationship between the cation exchange and such engineering properties of reinforcing soil as plasticity index, cohesive force and coefficient of compressibility were analyzed. The results showed that the cation exchange velocity of the proportion of 1:200 ISS reinforcing soil is the fastest among the three proportions (1:100, 1:200 and 1:300) and the modification effect of engineering performance index is quite obvious. These studies provide an experimental basis for the ISS applied to curing project, and monitoring geotechnical engineering performance by LIBS technology also provides a new way of thinking for the curing project monitoring. PMID:25208417

  11. Bilinear and biquadratic exchange coupling in bcc Fe\\/Cu\\/Fe trilayers: Ferromagnetic-resonance and surface magneto-optical Kerr-effect studies

    Microsoft Academic Search

    B. Heinrich; Z. Celinski; J. F. Cochran; A. S. Arrott; K. Myrtle; S. T. Purcell

    1993-01-01

    Ferromagnetic-resonance (FMR) and surface magneto-optical Kerr-effect (SMOKE) studies of the exchange coupling in bcc Fe\\/Cu\\/Fe(001) structures are presented. It is shown that the interfaces in bcc Fe\\/Cu\\/Fe(001) trilayers grown on a Ag(001) single-crystal substrate can be significantly improved by choosing an appropriate growth procedure. Low-energy electron-diffraction data are presented, which show that the bcc Cu(001) overlayer follows a nearly perfect

  12. Pressure-induced hydration and cation migration in a Cs + exchanged gallosilicate zeolite LTL: Synchrotron X-ray powder diffraction study at ambient and high pressures

    Microsoft Academic Search

    Dong-hoon Seoung; Yongmoon Lee; Sun Jin Kim; Hyun-Hwi Lee; Docheon Ahn; Nam-Soo Shin; Thomas Vogt; Yongjae Lee

    2010-01-01

    The ambient and high pressure structures of a partially cesium-exchanged K-gallosilicate with a zeolite LTL framework topology (Cs0.65K0.35–GaSi–LTL) was studied using synchrotron X-ray powder diffraction. In contrast to the cation distribution present in the aluminosilicate analogues, the larger cesium cations replace part of the potassium cations in the narrow 8-ring channel as well as in the main 12-ring channel of

  13. Removal of Boron from Wastewater of Geothermal Power Plant by Selective Ion-Exchange Resins. II. Column Sorption–Elution Studies

    Microsoft Academic Search

    MEBRURE BADRUK; NALAN KABAY; MUSTAFA DEMIRCIOGLU; HASAN MORDOGAN; UNER IPEKOGLU

    1999-01-01

    Column sorption–elution studies for boron removal were performed using N-glucamine-type chelating ion-exchange resins Diaion CRB 02 Purolite S 108. The breakthrough curves were obtained as a function of resin type and feed flow rate. Boron was effectively removed from the wastewater of Kizildere, Turkey, geothermal power plant by passing it through the resins Diaion CRB 02 and Purolite S 108

  14. Situational factors influencing drug injecting, risk reduction and syringe exchange in Togliatti City, Russian Federation: a qualitative study of micro risk environment

    Microsoft Academic Search

    Tim Rhodes; Larissa Mikhailova; Anya Sarang; Catherine M. Lowndes; Andrey Rylkov; Mikhail Khutorskoy; Adrian Renton

    2003-01-01

    We undertook a qualitative study to explore the micro-environment of drug injecting, risk reduction and syringe exchange practices among injecting drug users (IDUs) in Togliatti City, Russia. Semi-structured qualitative interviews (n=57) were undertaken with current IDUs in May 2001. Findings highlight a recent transition away from hanka (a home-produced liquid opiate derived from opium poppy) towards the injection of heroin

  15. Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region

    SciTech Connect

    Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K. H.; Rode, Bernd M. [Theoretical Chemistry Division, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 80-82, A-6020 Innsbruck (Austria)

    2013-07-07

    Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment.

  16. Textile Exchange

    NSDL National Science Digital Library

    From crochet machines to the uses of acrylic yarn, the Textile Exchange website has rather fine comprehensive coverage across the nooks and crannies of the textile industry. Visitors to the homepage will find a search engine and a very thorough products directory which includes topical headings like "Textile Products", "Fibers, Yarns & Threads", and "Textile Chemicals". After looking over a few of these areas, visitors will definitely want to peruse the "Knowledge Center". Here they can learn more about fiber and textile history, and the types of weaves. One section that should not be missed is the "Textile Personalities" area. For those individuals who've been pining to learn about giants of the textile industry such as John Mercer, John Kay (who patented the flying shuttle), and Richard Roberts, this area will be quite the eye-opener.

  17. Exchange hub.

    PubMed

    2015-07-01

    The Expert in the Room is a series of web seminars hosted by the Edge, NHS Improving Quality's virtual information exchange hub. The free online sessions will feature leaders in health and social care with up-to-date knowledge and practice in the field of transformational change, and viewers will have an opportunity to interact with them live. The monthly, 90-minute sessions take place at 9.30am on Fridays and the next seminars are on the following dates: September 4, October 2, November 4, and January 22 next year. Joining instructions for each session are posted on the related links, which you can find at theedge.nhsiq.nhs.uk/expert. PMID:26135190

  18. Comparison of intravenous immunoglobulin and plasma exchange in treatment of mechanically ventilated children with Guillain Barré syndrome: a randomized study

    PubMed Central

    2011-01-01

    Introduction Respiratory failure is a life threatening complication of Guillain Barré syndrome (GBS). There is no consensus on the specific treatment for this subset of children with GBS. Methods This was a prospective randomized study to compare the outcome of intravenous immunoglobulin (IVIG) and plasma exchange (PE) treatment in children with GBS requiring mechanical ventilation. Forty-one children with GBS requiring endotracheal mechanical ventilation (MV) within 14 days from disease onset were included. The ages of the children ranged from 49 to 143 months. Randomly, 20 children received a five-day course of IVIG (0.4 g/kg/day) and 21 children received a five-day course of one volume PE daily. Lumbar puncture (LP) was performed in 36 patients (18 in each group). Results Both groups had comparable age (p = 0.764), weight (p = 0.764), duration of illness prior to MV (p = 0.854), preceding diarrhea (p = 0.751), cranial nerve involvement (p = 0.756), muscle power using Medical Research Council (MRC) sum score (p = 0.266) and cerebrospinal fluid (CSF) protein (p = 0.606). Children in the PE group had a shorter period of MV (median 11 days, IQR 11.0 to 13.0) compared to IVIG group (median 13 days, IQR 11.3 to 14.5) with p = 0.037. Those in the PE group had a tendency for a shorter Pediatric Intensive Care Unit (PICU) stay (p = 0.094). A total of 20/21 (95.2%) and 18/20 (90%) children in the PE and IVIG groups respectively could walk unaided within four weeks after PICU discharge (p = 0.606). There was a negative correlation between CSF protein and duration of mechanical ventilation in the PE group (p = 0.037), but not in the IVIG group (p = 0.132). Conclusions In children with GBS requiring MV, PE is superior to IVIG regarding the duration of MV but not PICU stay or the short term neurological outcome. The negative correlation between CSF protein values and duration of MV in PE group requires further evaluation of its clinical usefulness. Trial Registration Clinicaltrials.gov Identifier NCT01306578 PMID:21745374

  19. Theoretical studies of the effective exchange interactions and photoinduced magnetism in manganese and copper di(4-pyridyl)carbene complexes

    NASA Astrophysics Data System (ADS)

    Takano, Yu; Soda, Tomohisa; Kitagawa, Yasutaka; Yoshioka, Yasunori; Yamaguchi, Kizashi

    1999-02-01

    UHF, UMP n ( n=2,4), UCC and DFT (UBLYP and UB3LYP) calculations using several basis sets were performed in order to elucidate the sign and magnitudes of the effective exchange interactions ( Jab) of models of 1:1 complex of Mn(hfac) 2 or Cu(hfac) 2 with (4-pryidyl)methylene. The Jab value between Mn(II) and divalent carbon (:C) through 4-pyridyl group by the UMP and UCCSD(T)/triple-zeta basis set was antiferromagnetic, while it was ferromagnetic between Cu(II) and :C. This is wholly consistent with the experiments. The signs of Jab values are explained by mechanisms of spin-exchange couplings through the configuration interaction pictures.

  20. Educator Exchange Resource Guide.

    ERIC Educational Resources Information Center

    Garza, Cris; Rodriguez, Victor

    This resource guide was developed for teachers and administrators interested in participating in intercultural and international exchange programs or starting an exchange program. An analysis of an exchange program's critical elements discusses exchange activities; orientation sessions; duration of exchange; criteria for participation; travel,…

  1. High ionic strength narrows the population of sites participating in protein ion-exchange adsorption: A single-molecule study

    PubMed Central

    Kisley, Lydia; Chen, Jixin; Mansur, Andrea P.; Dominguez-Medina, Sergio; Kulla, Eliona; Kang, Marci; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Dhamane, Sagar; Willson, Richard C.; Landes, Christy F.

    2014-01-01

    The retention and elution of proteins in ion-exchange chromatography is routinely controlled by adjusting the mobile phase salt concentration. It has repeatedly been observed, as judged from adsorption isotherms, that the apparent heterogeneity of adsorption is lower at more-eluting, higher ionic strength. Here, we present an investigation into the mechanism of this phenomenon using a single-molecule, super-resolution imaging technique called motion-blur Points Accumulation for Imaging in Nanoscale Topography (mbPAINT). We observed that the number of functional adsorption sites was smaller at high ionic strength and that these sites had reduced desorption kinetic heterogeneity, and thus narrower predicted elution profiles, for the anion-exchange adsorption of ?-lactalbumin on an agarose-supported, clustered-charge ligand stationary phase. Explanations for the narrowing of the functional population such as inter-protein interactions and protein or support structural changes were investigated through kinetic analysis, circular dichroism spectroscopy, and microscopy of agarose microbeads, respectively. The results suggest the reduction of heterogeneity is due to both electrostatic screening between the protein and ligand and tuning the steric availability within the agarose support. Overall, we have shown that single molecule spectroscopy can aid in understanding the influence of ionic strength on the population of functional adsorbent sites participating in the ion-exchange chromatographic separation of proteins. PMID:24751557

  2. Magnetization dynamics in an exchange-coupled NiFe/CoFe bilayer studied by x-ray detected ferromagnetic resonance

    NASA Astrophysics Data System (ADS)

    Stenning, G. B. G.; Shelford, L. R.; Cavill, S. A.; Hoffmann, F.; Haertinger, M.; Hesjedal, T.; Woltersdorf, G.; Bowden, G. J.; Gregory, S. A.; Back, C. H.; de Groot, P. A. J.; van der Laan, G.

    2015-01-01

    Exchange-coupled hard and soft magnetic layers find extensive use in data storage applications, for which their dynamical response has great importance. With bulk techniques, such as ferromagnetic resonance (FMR), it is difficult to access the behaviour and precise influence of each individual layer. By contrast, the synchrotron radiation-based technique of x-ray detected ferromagnetic resonance (XFMR) allows element-specific and phase-resolved FMR measurements in the frequency range 0.5–11 GHz. Here, we report the study of the magnetization dynamics of an exchange-coupled Ni0.81Fe0.19 (43.5 nm)/Co0.5Fe0.5 (30 nm) bilayer system using magnetometry and vector network analyser FMR, combined with XFMR at the Ni and Co L2 x-ray absorption edges. The epitaxially grown bilayer exhibits two principal resonances denoted as the acoustic and optical modes. FMR experiments show that the Kittel curves of the two layers cannot be taken in isolation, but that their modelling needs to account for an interlayer exchange coupling. The angular dependence of FMR indicates a collective effect for the modes of the magnetically hard CoFe and soft NiFe layer. The XFMR precessional scans show that the acoustic mode is dominated by the Ni signal with the Co and Ni magnetization precessing in phase, whereas the optical mode is dominated by the Co signal with the Co and Ni magnetization precessing in anti-phase. The response of the Co signal at the Ni resonance, and vice versa, show induced changes in both amplitude and phase, which can be ascribed to the interface exchange coupling. An interesting aspect of phase-resolved XFMR is the ability to distinguish between static and dynamic exchange coupling. The element-specific precessional scans of the NiFe/CoFe bilayer clearly have the signature of static exchange coupling, in which the effective field in one layer is aligned along the magnetization direction of the other layer.

  3. A Study of Spin-Flipping in Sputtered IrMn using Py-based Exchange-Biased Spin-Valves

    Microsoft Academic Search

    R. Acharyya; H. Y. T. Nguyen; W. P. Pratt Jr.; J. Bass

    2010-01-01

    To study spin flipping within the antiferromagnet IrMn, we extended prior\\u000aCurrent-Perpendicular-to-Plane (CPP) Giant Magnetoresistance (GMR) studies of\\u000aPy-based exchange-biased-spin-valves containing IrMn inserts to thicker IrMn\\u000alayers-5 nm less than or equal to t(IrMn) less than or equal to 30 nm.\\u000aUnexpectedly, A{\\\\Delta}R = A[R(AP) - R(P)]--the difference in specific\\u000aresistance between the anti-parallel (AP) and parallel (P) magnetic states

  4. A study of spin–flipping in sputtered IrMn using Py-based exchange-biased spin-valves

    Microsoft Academic Search

    R. Acharyya; H. Y. T. Nguyen; W. P. Pratt; J. Bass

    2011-01-01

    To study spin–flipping within the antiferromagnet IrMn, we extended prior current-perpendicular-to-plane giant magnetoresistance studies of Permalloy (Py)-based exchange-biased-spin-valves containing IrMn inserts to thicker IrMn layers—5 nm ? tIrMn ? 30 nm. Unexpectedly, A?R = A(RAP ? RP)—the difference in specific resistance between the antiparallel (AP) and parallel (P) magnetic states of the two Py layers—did not decrease with increasing tIrMn,

  5. Fully correlated study of {sub {lambda}}{sub {lambda}}{sup 6}He hypernucleus including {lambda}N space-exchange correlations

    SciTech Connect

    Usmani, A. A.; Hasan, Z. [Department of Physics, Aligarh Muslim University, Aligarh 202 002 (India)

    2006-09-15

    We present a fully correlated study of the six-body {sub {lambda}}{sub {lambda}}{sup 6}He hypernucleus. The wave function involves all relevant dynamic correlations as well as the space-exchange correlation (SEC). Calculations for energy breakdown, {lambda}{lambda}-separation energy, nuclear core polarization, and point proton radius have been performed. The baryon density profiles have also been calculated. Effect of SEC on all these physical observables is found to be significant. The findings suggest that a study ignoring SEC would be deficient.

  6. Escherichia coli Single-Stranded DNA-Binding Protein: NanoESI-MS Studies of Salt-Modulated Subunit Exchange and DNA Binding Transactions

    NASA Astrophysics Data System (ADS)

    Mason, Claire E.; Jergic, Slobodan; Lo, Allen T. Y.; Wang, Yao; Dixon, Nicholas E.; Beck, Jennifer L.

    2013-02-01

    Single-stranded DNA-binding proteins (SSBs) are ubiquitous oligomeric proteins that bind with very high affinity to single-stranded DNA and have a variety of essential roles in DNA metabolism. Nanoelectrospray ionization mass spectrometry (nanoESI-MS) was used to monitor subunit exchange in full-length and truncated forms of the homotetrameric SSB from Escherichia coli. Subunit exchange in the native protein was found to occur slowly over a period of hours, but was significantly more rapid in a truncated variant of SSB from which the eight C-terminal residues were deleted. This effect is proposed to result from C-terminus mediated stabilization of the SSB tetramer, in which the C-termini interact with the DNA-binding cores of adjacent subunits. NanoESI-MS was also used to examine DNA binding to the SSB tetramer. Binding of single-stranded oligonucleotides [one molecule of (dT)70, one molecule of (dT)35, or two molecules of (dT)35] was found to prevent SSB subunit exchange. Transfer of SSB tetramers between discrete oligonucleotides was also observed and is consistent with predictions from solution-phase studies, suggesting that SSB-DNA complexes can be reliably analyzed by ESI mass spectrometry.

  7. STUDY ABROAD ONETIME APPROVAL PETITION GUIDELINES This pe on is for a student wishing to a end a study abroad program that is not currently a UNH Managed, Exchange or

    E-print Network

    New Hampshire, University of

    STUDY ABROAD ONETIME APPROVAL PETITION GUIDELINES This pe on is for a student wishing to a end by any exis ng UNH Managed, Exchange or Approved program. Pe ons must be supported by the student means that only the individual student making the pe on has been approved to par cipate on the program

  8. Chemical exchange program analysis.

    SciTech Connect

    Waffelaert, Pascale

    2007-09-01

    As part of its EMS, Sandia performs an annual environmental aspects/impacts analysis. The purpose of this analysis is to identify the environmental aspects associated with Sandia's activities, products, and services and the potential environmental impacts associated with those aspects. Division and environmental programs established objectives and targets based on the environmental aspects associated with their operations. In 2007 the most significant aspect identified was Hazardous Materials (Use and Storage). The objective for Hazardous Materials (Use and Storage) was to improve chemical handling, storage, and on-site movement of hazardous materials. One of the targets supporting this objective was to develop an effective chemical exchange program, making a business case for it in FY07, and fully implementing a comprehensive chemical exchange program in FY08. A Chemical Exchange Program (CEP) team was formed to implement this target. The team consists of representatives from the Chemical Information System (CIS), Pollution Prevention (P2), the HWMF, Procurement and the Environmental Management System (EMS). The CEP Team performed benchmarking and conducted a life-cycle analysis of the current management of chemicals at SNL/NM and compared it to Chemical Exchange alternatives. Those alternatives are as follows: (1) Revive the 'Virtual' Chemical Exchange Program; (2) Re-implement a 'Physical' Chemical Exchange Program using a Chemical Information System; and (3) Transition to a Chemical Management Services System. The analysis and benchmarking study shows that the present management of chemicals at SNL/NM is significantly disjointed and a life-cycle or 'Cradle-to-Grave' approach to chemical management is needed. This approach must consider the purchasing and maintenance costs as well as the cost of ultimate disposal of the chemicals and materials. A chemical exchange is needed as a mechanism to re-apply chemicals on site. This will not only reduce the quantity of unneeded chemicals and the amount spent on new purchases, but will also avoid disposal costs. If SNL/NM were to realize a 5 percent reduction in chemical inventory and a 10 percent reduction in disposal of unused chemicals the total savings would be $189, 200 per year.

  9. Psychology on Exchange InternationalExchangeProgram

    E-print Network

    Viglas, Anastasios

    Psychology on Exchange InternationalExchangeProgram Psychology majors are welcome to apply Honours, you need to take into account the advice from the Department of Psychology (http://sydney.edu.au/ current_students/student_exchange/forms_downloads.shtml). Timing To meet Australian Psychology

  10. Nuclear magnetic resonance studies of trypsin inhibitors isolated from seeds of Cucurbitaceae plants

    SciTech Connect

    Sobczyk, K.; Markley, J.L.

    1986-05-01

    Two-dimensional NMR techniques were used to assign individual protons in two trypsin inhibitors isolated from squash seeds (Cucurbita maxima and C. pepo). The assignments of /sup 1/H NMR signals from these unusually small proteins (29 amino acid residues) were based entirely on the sequences of the proteins plus the analysis of data from two-dimensional /sup 1/H)/sup 1/H) chemical shift correlation spectroscopy (COSY), relayed COSY, and nuclear Overhauser effect spectroscopy (NOESY). The pH dependence (pH range 1 to 12) of NMR chemical shifts has been analyzed in detail. The complex pH titration profiles exhibited by the /sup 1/H peaks of His-25 and Tyr-27 may be interpreted in terms of side-chain interactions between these residues. The protons of Gly-26 demonstrate a well-resolved AB spin system. These results suggest that this region of the protein has restricted conformational freedom. The kinetics of amide hydrogen/deuterium exchange were measured as a function of pH. The exchange rate for all amide hydrogens is governed by acid/base catalysis.

  11. Polymorphism of the d(CCCGCGGG) 2 double helix studied by FT-i.r. spectroscopy

    NASA Astrophysics Data System (ADS)

    Taillandier, E.; Peticolas, W. L.; Adam, S.; Huynh-Dinh, T.; Igolen, J.

    The deoxyoligonucleotide, d(CCCGCGGG), forms a duplex structure that can be put into the A and B forms in films by changing the ambient humidity and into the Z form by adding a heavy metal ion such as Ni(II). Since this oligomer contains only the bases, C and G, these spectra permit us to easily identify the infrared marker bands of C and G that correspond to the three different conformations. In addition, marker bands belonging mainly to the sugar and phosphate groups of the backbone are also reported. Equilibration with D 2O at various humidities allows us to obtain the i.r. bands of the hydrogen—deuterium exchanged films. Two tables are presented in which the i.r. bands are listed and assigned. One table lists the bands of this oligomer in the B, A and Z forms in H 2O while the second lists the i.r. bands after deuterium exchange. In this way a catalog of i.r. bands is made available for the identification of the local conformation of the C and G bases in DNA that may be heterogeneous in conformation.

  12. Effects of the zeolite framework on the adsorption of ethylene and benzene on alkali-exchanged zeolites: an ONIOM study

    Microsoft Academic Search

    Karan Bobuatong; Jumras Limtrakul

    2003-01-01

    The density functional theory (B3LYP\\/6-31G(d,p)) and our-own-N-layered integrated molecular orbital + molecular mechanics (ONIOM) approach utilizing two-layer ONIOM schemes (B3LYP\\/6-31G(d,p): UFF) have been employed to investigate the structures of alkali-exchanged faujasite (FAU) and ZSM-5 zeolites, and their interactions with ethylene and benzene. Inclusion of the extended zeolite framework has an effect on the structure and energetics of the adsorption complexes

  13. Ferromagnetic resonance study of the misalignment between anisotropy axes in exchange-biased NiFe/FeMn/Co trilayers

    NASA Astrophysics Data System (ADS)

    Barreto, P. G.; Sousa, M. A.; Pelegrini, F.; Alayo, W.; Litterst, F. J.; Baggio-Saitovitch, E.

    2014-05-01

    Exchange-biased NiFe/FeMn/Co trilayers were grown by dc magnetron sputtering and analyzed by in-plane ferromagnetic resonance using Q-band microwaves. The experiments revealed that distinct Co and NiFe resonance modes were excited by the microwave field. A misalignment between the anisotropy axes of the magnetic layers was deduced from the angular variations of the resonance fields, which also showed the effects of uniaxial and unidirectional anisotropies. A phenomenological model was used to fit the experimental results taking also into account a rotatable anisotropy field associated to the domain structure of the FeMn layer and the magnetic history of the films.

  14. The effect of hydrogen/deuterium introduction on photoluminescence of 3C-SiC crystals

    SciTech Connect

    Lee, B.K.; Steckl, A.J. [Univ. of Cincinnati, OH (United States). Nanoelectronics Lab.; Zavada, J.M. [Army Research Office, Research Triangle Park, NC (United States); Wilson, R.G. [Hughes Research Labs., Malibu, CA (United States)

    1998-12-31

    The effect of the incorporation and annealing of deuterium in 3C-SiC on its photoluminescence is reported. A 3C-SiC crystal has been implanted with 100 kev deuterium and subsequently annealed at temperatures between 1015 C and 1220 C for 1 to 5 minutes. SIMS depth profiles indicate hydrogen is strongly trapped by defects generated through ion bombardment, but a gradual damage repairing occurs during annealing. Photoluminescence was measured with 488 nm Ar laser excitation for sample temperatures from 89 K to 400 K. The PL peak wavelength of 540 nm at room temperature has shifted to 538 nm at 89 K. The peak PL intensity decreases with measurement temperature while its full width at half maximum (FWHM) exhibits an increasing trend. PL data were taken at five annealing stages. The post-implantation peak PL intensity and its integrated area increase initially with annealing temperature and time. After the final annealing at 1218 C for 2 minute, PL intensity and its integrated area exhibit a decrease in level.

  15. Effect of hydrogen (deuterium) on properties of fusion power reactor first wall alloys

    Microsoft Academic Search

    N. F. Panayotou; J. K. Tien; R. A. Gross

    1977-01-01

    Candidate first wall fusion reactor materials were subjected to a deuterium bombardment compared to that of anticipated reactors. Significant microstructural and mechanical damage modes were observed. The mechanics involved and the relevance of deuterium interactions to fusion are discussed.

  16. PUBLISHED VERSION Determination of hydrogen/deuterium ratio with neutron measurements on MAST

    E-print Network

    Klimek I, Cecconello M, Sharapov S E, Harrison J, Ericsson G © 2014 UNITED KINGDOM ATOMIC ENERGY. Cecconello, S. E. Sharapov, J. Harrison, and G. Ericsson Citation: Review of Scientific Instruments 85, 11E. Cecconello,1 S. E. Sharapov,2 J. Harrison,2 and G. Ericsson1 1 Department of Physics and Astronomy, Uppsala

  17. Origin of Terrestrial Water: Hydrogen/Deuterium Fractionation into Earth's Core

    NASA Astrophysics Data System (ADS)

    Wu, J.; Buseck, P. R.

    2014-12-01

    Hydrogen isotopic compositions are among the most important constraints on the origin of Earth's water. Earth's bulk water content, which is small but not negligible, is significantly greater than what the thermal gradient of the solar nebula disk would suggest for planetesimal materials condensed at one astronomical unit. The proto-solar nebula is a likely source of early Earth's water, with probable contributions from one or more of the following: water-rich planetesimals, ordinary and carbonaceous meteorites, comets, asteroids, and interplanetary dust particles. However, all of these sources have been questioned, and the proposed proto-solar nebular origin has been disputed in light of the large difference in hydrogen isotopic composition between it and terrestrial water. Current opposition to the solar nebular hypothesis is based on the critical assumption that no processes in the interior of the early Earth changed the isotopic composition of hydrogen. Nevertheless, a hypothesized hydrogenation reaction of liquid iron (2Fe + xH2 ? 2FeHx) during core formation likely provided a fractionation mechanism between hydrogen and deuterium (D). We propose that modern D/H ratios at Earth's surface resulted from this isotopic fractionation and that terrestrial water originated from oxidation of proto-solar hydrogen dissolved in the magma ocean in the early Earth by coexisting oxides (such as FeO). Thus, the isotopic composition of water on Earth can be mainly explained by internal terrestrial processes.

  18. A primary hydrogen-deuterium isotope effect observed at the single-molecule level

    Microsoft Academic Search

    Siran Lu; Wen-Wu Li; Dvir Rotem; Ellina Mikhailova; Hagan Bayley

    2010-01-01

    The covalent chemistry of reactants tethered within a single protein pore can be monitored by observing the time-dependence of ionic current flow through the pore, which responds to bond making and breaking in individual reactant molecules. Here we use this `nanoreactor' approach to examine the reaction of a quinone with a thiol to form a substituted hydroquinone by reductive 1,4-Michael

  19. Direct-contact heat exchanger for swirling countercurrent flow of hot gas and finely divided solids: A parametric study

    NASA Astrophysics Data System (ADS)

    Bell, K. J.; Arman, B.

    1991-06-01

    A vertically oriented solid-to-gas direct-contact heat exchanger (DCHX) has been proposed for heat recovery in high temperature plants that process finely divided solids. The flows are countercurrent, with the inlet gas flow entering on the centerline and swirling strongly. Swirling enhances heat transfer and centrifuges the solid particles from the center to the wall in order to minimize entrainment and permit gravity separation. A computer program was written to calculate particle trajectories and heat transfer rates (and, therefore, temperature profiles) for gas and solid phases. The flow model considers interactions between the particles and the flow field of the gas. The results of the computer program showed that the introduction of swirl significantly reduced the vertical distance required to achieve a given thermal efficiency. The countercurrent flow arrangement achieves high thermal efficiency in one contacting stage, unlike existing cocurrent suspension preheater systems, which require four or five stages. The practical application of this design to the cement industry appears unlikely, because very low gas velocities and correspondingly large areas of cross-sectional flow are required to prevent elutriation of the 74 micron particles required for the chemical reactions. The computer program can be modified for spray-dryer applications by the addition of mass transfer terms and a spray-formation model. In addition, the concept of a swirling flow heat exchanger may be applicable to other processes in which larger and heavier particles are used.

  20. Toward the Prediction of Water Exchange Rates in Magnetic Resonance Imaging Contrast Agents: A Density Functional Theory Study.

    PubMed

    Regueiro-Figueroa, Martín; Platas-Iglesias, Carlos

    2015-06-18

    We present a theoretical investigation of Gd-Owater bonds in different complexes relevant as contrast agents in magnetic resonance imaging (MRI). The analysis of the Ln-Owater distances, electron density (?BCP), and electron localization function (ELF) at the bond critical points of [Ln(DOTA)(H2O)](-) and [Ln(DTPA-BMA)(H2O)] indicates that the strength of the Ln-Owater bonds follows the order DTPA-BMA > DOTA (M isomer) > DOTA (m isomer). The ELF values decrease along the 4f period as the Ln-Owater bonds get shorter, in line with the labile capping bond phenomenon. Extension of these calculations to other Gd(3+) complexes allowed us to correlate the experimentally observed water exchange rates and the calculated ?BCP and ELF values. The water exchange reaction becomes faster as the Gd-Owater bonds are weakened, which is reflected in longer bond distances and lower values of ?BCP and ELF. DKH2 calculations show that the two coordinated water molecules may also have significantly different (17)O hyperfine coupling constants (HFCCs). PMID:26000832

  1. Assessing the fitness of various exchange-correlation functionals for TD-DFT studies of charge-transfer excitations in organic dyes

    NASA Astrophysics Data System (ADS)

    Dev, Pratibha; Agrawal, Saurabh; English, Niall

    2012-02-01

    Dye Sensitized Solar Cells (DSSCs) are a possible alternative to the more expensive silicon-based cells. Theoretical research in this field has highlighted some of the issues with time-dependent density functional theory (TD-DFT) that is widely used to study electronic excitations of matter. The situation is complicated by the fact that several classes of approximations to the exchange correlation functional can be employed, however, not one of these strictly outperforms the others in its description of charge-transfer excitations. In this work, UV-Vis spectra are calculated using TD-DFT for several organic dyes -- alizarin, squaraine, 4-(N, N-dimethylamino) benzonitrile, polyene-linker dyes and triphenylamine-donor dyes. We studied the dyes within three approximations (PBE, B3LYP and CAM-B3LYP) to the exchange-correlation functional. In the dyes considered here, a correlation exists between the functional performance and the spatial overlap of the states involved in the excitations. This overlap can be quantified to provide a good guideline for choosing the right functional when studying intramolecular charge transfer in dyes. It will be an invaluable tool when studying these molecules within more challenging systems, such as dye-titania complexes in DSSCs.

  2. Radiochemical study of the medium energy pion double charge exchange reactions: /sup 209/Bi(pi/sup +/pi/sup -/)/sup 209-x/At

    SciTech Connect

    Clark, J.L.

    1980-01-01

    Carrier-free radiochemical techniques have been used to measure cross sections for the double charge exchange reactions of the type /sup 209/Bi(pi/sup +/, pi/sup -/xn)/sup 209-x/At for 100, 180, and 300 MeV incident pions. The observed formation of astatine products with mass numbers ranging from 208 to 205 is interpreted as evidence of processes in which energy deposited in the initial double charge exchange interaction is subsequently dissipated through neutron evaporation. The excitation functions for these reactions are seen to rise rapidly with decreasing incident pion energy with the maximum results for this study at 100 MeV. The astatine production cross secions measured for these positive pion irradiations of thick bismuth targets must be corrected for secondary processes, particularly the pion induced production of fast alpha particles which can contribute to the total cross sections through reactions like /sup 209/Bi(alpha,xn)/sup 213-x/At. The importance of these secondary contributions was studied through a series of negative pion irradiations of bismuth in which secondary pathways furnish the only means of producing astatine. The failure of evaporation calculations to reproduce the astatine product mass yields observed in these secondary studies suggests that direct mechanisms for energetic complex particle formation are quite important. Values for the alpha decay branches of /sup 207/At, /sup 208/At, and /sup 209/At were determined through a study of the electron capture and alpha decay characteristics of chemically purified astatine fractions.

  3. Serial Replica Exchange

    PubMed Central

    Hagen, Morten; Kim, Byungchan; Liu, Pu; Friesner, Richard A.; Berne, B. J.

    2009-01-01

    Parallel tempering (or the replica exchange method (REM)) is a powerful method for speeding up the sampling of conformational states of systems with rough energy landscapes, like proteins, where stable conformational states can be separated by large energy barriers. The usual implementation of the REM is performed on local computer clusters (or parallel processors) where the different replicas must be run synchronously. Here, we present serial replica exchange (SREM), a method that is equivalent to the standard REM in terms of efficiency yet runs asynchronously on a distributed network of computers. A second advantage is the method’s greatly enhanced fault tolerance, which enables the study of biological systems on worldwide distributed computing environments, such as Folding@Home.1 For proof of concept, we apply the SREM to a single alanine dipeptide molecule in explicit water. We show that the SREM reproduces the thermodynamic and structural properties determined by the REM. PMID:17249714

  4. NH3-TPD-MS study of Ce effect on the surface of Mn- or Fe-exchanged zeolites for selective catalytic reduction of NOx by ammonia

    NASA Astrophysics Data System (ADS)

    Stanciulescu, M.; Bulsink, P.; Caravaggio, G.; Nossova, L.; Burich, R.

    2014-05-01

    The selective catalytic reduction (SCR) of NOx with NH3 is considered to be a promising technique for the efficient reduction of highly detrimental NOx emitted from diesel engine vehicles to N2. This study was focused on a series of catalysts with ZSM-5 as support, prepared by Mn- or Fe-exchange followed by wet impregnation of Ce, or Fe or Mn. These catalysts were characterized by temperature-programmed desorption coupled with a mass spectrometer using ammonia (NH3-TPD-MS). Specifically, NH3-TPD-MS was used as a means of identifying the various strengths of acid sites and their relative abundance in an attempt to explain the effect of the catalyst surface acid sites on DeNOx activity. Acid sites with adsorption energies ranging from 47.0 to 75.6 kJ/mol were detected for all of the catalysts. For the same concentration of exchanged metal it was found that the DeNOx activity depends strongly on the type of metal. Furthermore, the acid site strength and distribution depend on the active metal and correlate with the observed DeNOx catalyst activity. Additionally, SEM metal mapping images confirmed the presence of well dispersed active metal on the surface of all catalysts. The catalysts with bimetallic active phase were stable and demonstrated high NOx conversion over a broad temperature range. Impregnation of metal-exchanged zeolites with Ce enhanced the low temperature NOx conversion. Observed differences of activity between the various catalysts of this study may be due to the formation of new ammonia activation sites. The ammonia desorption profile during the elevation of temperature was correlated to the DeNOx activity.

  5. Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

    PubMed

    Fransson, Thomas; Coriani, Sonia; Christiansen, Ove; Norman, Patrick

    2013-03-28

    Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as the state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger ?-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to ??-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate ??-peak separations due to spectral compressions, a characteristic which is inherent to this method. PMID:23556727

  6. Nanoscale building blocks for the development of novel proton-exchange membranes fuel cells: A first-principles study

    NASA Astrophysics Data System (ADS)

    Weck, Philippe F.; Kim, Eunja; Bae, Chulsung; Balakrishnan, Naduvalath

    2008-03-01

    We propose a new type of sulfonated aromatic polyarylenes as candidate building blocks for proton-exchange membranes (PEMs) and investigate their electronic and structural properties using first-principles methods. Density functional theory calculations and ab initio molecular dynamics (MD) simulations suggest that desulfonation is limited at high temperatures, owing to the strong aryl-SO3H bond induced by the electron-deficient aromatic ring, and that the proposed polymers exhibit good thermomechanical stability due to the robust aromatic main-chain repeating unit. MD simulations of solvated sulfonated aromatic polyarylenes also emphasize the importance of the Grotthuss-type mechanism for the hydrated proton transport in the vicinity of the sulfonic acid groups. Simulations show that hydrated protons form fluxional defects in the hydrogen bonded network surrounding protogenic groups, the transport mechanism involving inter-conversion between the Eigen cation and the Zundel cation as limiting structures.

  7. Energy exchange network of inter-residue interactions within a thermally fluctuating protein molecule: A computational study.

    PubMed

    Ishikura, Takakazu; Iwata, Yuki; Hatano, Tatsuro; Yamato, Takahisa

    2015-08-15

    Protein function is regulated not only by the structure but also by physical dynamics and thermal fluctuations. We have developed the computer program, CURrent calculation for proteins (CURP), for the flow analysis of physical quantities within thermally fluctuating protein media. The CURP program was used to calculate the energy flow within the third PDZ domain of the neuronal protein PSD-95, and the results were used to illustrate the energy exchange network of inter-residue interactions based on atomistic molecular dynamics simulations. The removal of the ?3 helix is known to decrease ligand affinity by 21-fold without changing the overall protein structure; nevertheless, we demonstrated that the helix constitutes an essential part of the network graph. © 2015 Wiley Periodicals, Inc. PMID:26147235

  8. An Experimental Study of Upward and Downward Flow of Supercritical Carbon Dioxide in a Straight Pipe Heat Exchanger with Constant Wall Heat Flux

    E-print Network

    Umrigar, Eric Dara

    2014-05-01

    An experimental analysis was conducted on a single circular tube heat exchanger using supercritical carbon dioxide as the working fluid. The heat exchanger was operated in two different orientations: vertically upward and downward. The experimental...

  9. Comparison of ion-exchange resin counterions in the nutrient measurement of calcareous soils: implications for correlative studies of plant-soil relationships

    USGS Publications Warehouse

    Sherrod, S.K.; Belnap, Jayne; Miller, M.E.

    2003-01-01

    For more than 40 years, ion-exchange resins have been used to characterize nutrient bioavailability in terrestrial and aquatic ecosystems. To date, however, no standardized methodology has been developed, particularly with respect to the counterions that initially occupy resin exchange sites. To determine whether different resin counterions yield different measures of soil nutrients and rank soils differently with respect to their measured nutrient bioavailability, we compared nutrient measurements by three common counterion combinations (HCl, HOH, and NaHCO3). Five sandy calcareous soils were chosen to represent a range of soil characteristics at Canyonlands National Park, Utah, and resin capsules charged with the different counterions equilibrated in saturated pastes of these soils for one week. Data were converted to proportions of total ions of corresponding charge for ANOVA. Results from the different methods were not comparable with respect to any nutrient. Of eleven nutrients measured, all but iron (Fe2+), manganese (Mn2+), and zinc (Zn2+) differed significantly (pa??0.05) as a function of soilcounterion interactions; Fe2+ and Zn2+ varied as functions of counterion alone. Of the counterion combinations, HCl-resins yielded the most net ion exchange with all measured nutrients except Na+, and the three of which desorbed in the greatest quantities from HOH-resins. Conventional chemical extractions using ammonium acetate generally yielded high proportional values of Ca2+, K+, and Na+. Further, among-soil rankings of nutrient bioavailability varied widely among methods. This study highlights the fact that various ion-exchange resin techniques for measuring soil nutrients may have differential effects on the soil-resin environment and yield data that should not be compared nor considered interchangeable. The most appropriate methods for characterizing soil-nutrient bioavailability depends on soil characteristics and likely on the physiological uptake mechanisms of plants or functional groups of interest. The effects of different extraction techniques on nutrient measures should be understood before selecting an extraction method. For example, in the calcareous soils used for this experiment, nutrient extraction methods that alter soil carbonates through dissolution or precipitation could compromise the accurate measurement of plant-available nutrients. The implications of this study emphasize the universal importance of understanding the differential effects of alternate methods on soil chemistry.

  10. Comparison of ion-exchange resin counterions in the nutrient measurement of calcareous soils: Implications for correlative studies of plant-soil relationships

    USGS Publications Warehouse

    Sherrod, S.K.; Belnap, J.; Miller, M.E.

    2003-01-01

    For more than 40 years, ion-exchange resins have been used to characterize nutrient bioavailability in terrestrial and aquatic ecosystems. To date, however, no standardized methodology has been developed, particularly with respect to the counterions that initially occupy resin exchange sites. To determine whether different resin counterions yield different measures of soil nutrients and rank soils differently with respect to their measured nutrient bioavailability, we compared nutrient measurements by three common counterion combinations (HCl, HOH, and NaHCO3). Five sandy calcareous soils were chosen to represent a range of soil characteristics at Canyonlands National Park, Utah, and resin capsules charged with the different counterions equilibrated in saturated pastes of these soils for one week. Data were converted to proportions of total ions of corresponding charge for ANOVA. Results from the different methods were not comparable with respect to any nutrient. Of eleven nutrients measured, all but iron (Fe2+), manganese (Mn2+), and zinc (Zn2+) differed significantly (p ??? 0.05) as a function of soil x counterion interactions; Fe2+ and Zn2+ varied as functions of counterion alone. Of the counterion combinations, HCl-resins yielded the most net ion exchange with all measured nutrients except Na+, NH4+, and HPO42-, the three of which desorbed in the greatest quantities from HOH-resins. Conventional chemical extractions using ammonium acetate generally yielded high proportional values of Ca2+, K+, and Na+. Further, among-soil rankings of nutrient bioavailability varied widely among methods. This study highlights the fact that various ion-exchange resin techniques for measuring soil nutrients may have differential effects on the soil-resin environment and yield data that should not be compared nor considered interchangeable. The most appropriate methods for characterizing soil-nutrient bioavailability depends on soil characteristics and likely on the physiological uptake mechanisms of plants or functional groups of interest. The effects of different extraction techniques on nutrient measures should be understood before selecting an extraction method. For example, in the calcareous soils used for this experiment, nutrient extraction methods that alter soil carbonates through dissolution or precipitation could compromise the accurate measurement of plant-available nutrients. The implications of this study emphasize the universal importance of understanding the differential effects of alternate methods on soil chemistry.

  11. Mass Exchange Processes with Input

    E-print Network

    P. L. Krapivsky

    2015-03-07

    We investigate a system of interacting clusters evolving through mass exchange and supplemented by input of small clusters. Three possibilities depending on the rate of exchange generically occur when input is homogeneous: continuous growth, gelation, and instantaneous gelation. We mostly study the growth regime using scaling methods. An exchange process with reaction rates equal to the product of reactant masses admits an exact solution which allows us to justify the validity of scaling approaches in this special case. We also investigate exchange processes with a localized input. We show that if the diffusion coefficients are mass-independent, the cluster mass distribution becomes stationary and develops an algebraic tail far away from the source.

  12. On innovative management of China's excessive foreign exchange reserves

    Microsoft Academic Search

    Wang Juan; Kong Yusheng

    2011-01-01

    China's foreign exchange reserves exceeded 3000 billion dollars by the end of March, 2011. What disadvantages do huge, fast growing foreign exchange reserves have? What is the relationship between foreign exchange reserves, CPI and imbalanced income? This paper studies into the relationship between foreign exchange reserves and economic disequilibrium, using Eviews, the result of which shows that both CPI and

  13. The exchange rate exposure of UK non-financial companies

    Microsoft Academic Search

    Ahmed El-Masry; Omneya Abdel-Salam; Amr Alatraby

    2007-01-01

    Purpose – The purpose of this paper is to investigate the exchange rate exposure of UK non-financial companies from January 1981 to December 2001. Design\\/methodology\\/approach – The study employs different exchange rate measures and adopts an equally weighted exchange rate. The analyses are conducted at the firm level. All analyses are conducted by regressing the firm's exchange rate exposure coefficients

  14. Eur. Phys. J. B 71, 339344 (2009) DOI: 10.1140/epjb/e2009-00225-1 Double-exchange model study of multiferroic RMnO3 perovskites

    E-print Network

    Tennessee, University of

    2009-01-01

    of multiferroic RMnO3 perovskites S. Dong, R. Yu, S. Yunoki, J.-M. Liu and E. Dagotto #12;Eur. Phys. J. B 71, 339-exchange model study of multiferroic RMnO3 perovskites S. Dong1,2,3,a , R. Yu1,2 , S. Yunoki4,5 , J.-M. Liu3 on the multiferroic RMnO3 perovskites are briefly reviewed at first. Using the double-exchange model, the realistic

  15. Nonlocal exchange correlation in screened-exchange densityfunctional methods

    SciTech Connect

    Lee, Byounghak; Wang, Lin-Wang; Spataru, Catalin D.; Louie,Steven G.

    2007-04-22

    We present a systematic study on the exchange-correlationeffects in screened-exchange local density functional method. Toinvestigate the effects of the screened-exchange potential in the bandgap correction, we have compared the exchange-correlation potential termin the sX-LDA formalism with the self-energy term in the GWapproximation. It is found that the band gap correction of the sX-LDAmethod primarily comes from the downshift of valence band states,resulting from the enhancement of bonding and the increase of ionizationenergy. The band gap correction in the GW method, on the contrary, comesin large part from the increase of theconduction band energies. We alsostudied the effects of the screened-exchange potential in the totalenergy by investigating the exchange-correlation hole in comparison withquantum Monte Carlo calculations. When the Thomas-Fermi screening isused, the sX-LDA method overestimates (underestimates) theexchange-correlation hole in short (long) range. From theexchange-correlation energy analysis we found that the LDA method yieldsbetter absolute total energy than sX-LDA method.

  16. The hybrid experimental simplex algorithm--an alternative method for 'sweet spot' identification in early bioprocess development: case studies in ion exchange chromatography.

    PubMed

    Konstantinidis, Spyridon; Chhatre, Sunil; Velayudhan, Ajoy; Heldin, Eva; Titchener-Hooker, Nigel

    2012-09-19

    The capacity to locate efficiently a subset of experimental conditions necessary for the identification of an operating envelope is a key objective in many studies. We have shown previously how this can be performed by using the simplex algorithm and this paper now extends the approach by augmenting the established simplex method to form a novel hybrid experimental simplex algorithm (HESA) for identifying 'sweet spots' during scouting development studies. The paper describes the new algorithm and illustrates its use in two bioprocessing case studies conducted in a 96-well filter plate format. The first investigates the effect of pH and salt concentration on the binding of green fluorescent protein, isolated from Escherichia coli homogenate, to a weak anion exchange resin and the second examines the impact of salt concentration, pH and initial feed concentration upon the binding capacities of a FAb', isolated from E. coli lysate, to a strong cation exchange resin. Compared with the established algorithm, HESA was better at delivering valuable information regarding the size, shape and location of operating 'sweet spots' that could then be further investigated and optimized with follow up studies. To test how favorably these features of HESA compared with conventional DoE (design of experiments) methods, HESA results were also compared with approaches including response surface modeling experimental designs. The results show that HESA can return 'sweet spots' that are equivalently or better defined than those obtained from DoE approaches. At the same time the deployment of HESA to identify bioprocess-relevant operating boundaries was accompanied by comparable experimental costs to those of DoE methods. HESA is therefore a viable and valuable alternative route for identifying 'sweet spots' during scouting studies in bioprocess development. PMID:22882820

  17. Activities Exchange

    NSDL National Science Digital Library

    Texas Instruments

    2008-01-31

    The site provides a free, colaborative forum where educators share activities that employ TI technology. This page links to hundreds of math and science activities for K-12, authored by teachers as well as Texas Instruments professionals. Social studies and language arts are also well represented in the list of subjects. Activities can be searched as well by curriculum standard or by textbook connection.

  18. Stock Exchange

    ERIC Educational Resources Information Center

    Silverman, Jerry Stuart

    1974-01-01

    Using play money, students buy and sell six types of stock certificates at prices determined periodically by tossing three dice; all students participate as investors, brokers, or banker. In addition to gaining practice on computational skills in a motivational game, students study the real stock market concurrently. (SD)

  19. Adsorption kinetics of deamidated antibody variants on macroporous and dextran-grafted cation exchangers. III. Microscopic studies.

    PubMed

    Tao, Yinying; Almodovar, Ernie X Perez; Carta, Giorgio; Ferreira, Gisela; Robbins, David

    2011-11-01

    The kinetics of single and multicomponent adsorption of deamidated monoclonal antibody (mAb) charge variants is investigated using confocal laser scanning microscopy for two commercial cation exchangers, one with an open macroporous structure--UNOsphere S--and the other with charged dextran grafts--Capto S. Markedly different intraparticle concentration profiles are obtained, being very sharp for UNOsphere S, indicating pore diffusion control, but much more diffuse for Capto S, consistent with a solid or surface diffusion mechanism. For single-component adsorption, the mAb effective pore diffusivities for UNOsphere S are approximately D(e)=4.5×10(-8) and 8.3×10(-8) cm(2)/s at pH 5 and 7.5, respectively, while effective solid diffusivities for Capto S are D(s)=0.98×10(-9) and 5.0×10(-9) cm(2)/s at pH 5 and 7.5, respectively. Two-component adsorption at pH 7.5, where the deamidated variants are bound selectively also showed markedly different profiles for the two matrices. UNOsphere S showed distinct adsorption zones within the particles indicating that multicomponent transport occurs with continuous displacement of the more deamidated variant by the less deamidated one. Capto S, however, showed no spatial resolution of the variants within the particle during co-adsorption and very slow mass transfer during sequential adsorption suggesting that protein counter-diffusion is severely hindered in this material. PMID:21955780

  20. Low molecular weight oligomers of amyloid peptides display ?-barrel conformations: A replica exchange molecular dynamics study in explicit solvent

    NASA Astrophysics Data System (ADS)

    De Simone, Alfonso; Derreumaux, Philippe

    2010-04-01

    The self-assembly of proteins and peptides into amyloid fibrils is connected to over 40 pathological conditions including neurodegenerative diseases and systemic amyloidosis. Diffusible, low molecular weight protein and peptide oligomers that form in the early steps of aggregation appear to be the harmful cytotoxic species in the molecular etiology of these diseases. So far, the structural characterization of these oligomers has remained elusive owing to their transient and dynamic features. We here address, by means of full atomistic replica exchange molecular dynamics simulations, the energy landscape of heptamers of the amyloidogenic peptide NHVTLSQ from the beta-2 microglobulin protein. The simulations totaling 5 ?s show that low molecular weight oligomers in explicit solvent consist of ?-barrels in equilibrium with amorphous states and fibril-like assemblies. The results, also accounting for the influence of the pH on the conformational properties, provide a strong evidence of the formation of transient ?-barrel assemblies in the early aggregation steps of amyloid-forming systems. Our findings are discussed in terms of oligomers cytotoxicity.

  1. Heavy-Ion Double-Charge Exchange Study via a 12C(18O,18Ne)12Be Reaction

    NASA Astrophysics Data System (ADS)

    Takaki, Motonobu; Matsubara, Hiroaki; Uesaka, Tomohiro; Aoi, Nori; Dozono, Masanori; Hashimoto, Takashi; Kawabata, Takahiro; Kawase, Shoichiro; Kisamori, Keiichi; Kubota, Yuki; Lee, Cheng Soo; Lee, Jenny; Maeda, Yukie; Michimasa, Shin'ichiro; Miki, Kenjiro; Ota, Shinsuke; Sasano, Masaki; Shimoura, Susumu; Suzuki, Tomokazu; Takahisa, Keiji; Tang, Tsz Leung; Tamii, Atsushi; Tokieda, Hiroshi; Yako, Kentaro; Yokoyama, Rin; Zenihiro, Juzo

    Heavy-ion double-charge exchange (HIDCX) reactions are a new promising spectroscopic tool for double spin-isospin flips excitation modes by taking an advantage of transferring isospin and/or spin quantum numbers by an amount of two to target nuclei. However, the data on HIDCX reactions is very scarce. A measurement of a (n,p)-type HIDCX reaction, 12C(18O,18Ne)12Be at 80 MeV/nucleon, was performed by employing the high-resolution spectrometer Grand Raiden at Research Center Nuclear Physics, Osaka University. The excitation energy spectrum of 12Be was obtained, and three clear peaks were observed at 0.0, 2.2, and 4.5 MeV, which are corresponding to ground and excited states of 12Be. The angular distributions of the cross sections for these peaks were obtained within the scattering angle range of 0.0°-4.0° in the center of mass system. We found that the angular distributions have characteristic shapes according to their mulpolarities.

  2. Acid/base, copper binding, and Cu{sup 2+}/H{sup +} exchange properties of a soil humic acid, an experimental and modeling study

    SciTech Connect

    Robertson, A.P.; Leckie, J.O. [Stanford Univ., CA (United States)] [Stanford Univ., CA (United States)

    1999-03-01

    Acid/base, copper binding and proton exchange properties of a soil humic acid were studied over a range of pHs and ionic strengths. Results indicate that multiple classes of copper binding sites exist. A number of model formulations were used to simulate the data; none were able to reasonably match all aspects of the observed behavior. Model results and analyses suggest that successful replication of humic behavior over a wide range of conditions requires a model formulation which incorporates electrostatic effects for a variable geometry entity, multiple site classes, and probably both uni and multi dentate complexation. Additionally site heterogeneity estimates from acid/base titration data are not likely to reasonably assess the presence of low concentration, high (metal) affinity sites that can be relevant in the study of trace metal complexation.

  3. A study of spin-flipping in sputtered IrMn using Py-based exchange-biased spin-valves

    NASA Astrophysics Data System (ADS)

    Acharyya, R.; Nguyen, H. Y. T.; Pratt, W. P.; Bass, J.

    2011-04-01

    To study spin-flipping within the antiferromagnet IrMn, we extended prior current-perpendicular-to-plane giant magnetoresistance studies of Permalloy (Py)-based exchange-biased-spin-valves containing IrMn inserts to thicker IrMn layers—5 nm ? tIrMn ? 30 nm. Unexpectedly, A?R = A(RAP - RP)—the difference in specific resistance between the antiparallel (AP) and parallel (P) magnetic states of the two Py layers—did not decrease with increasing tIrMn, for tIrMn ? 5 nm, but rather became constant to within our measuring uncertainty. This constant looks to be due mostly to a new, small magnetoresistance in thin Py layers. The constant complicates isolating the spin-diffusion length, lsfIrMn, in bulk IrMn, but lsfIrMn is probably short, ?1 nm. Similar results were found with FeMn.

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

    SciTech Connect

    Yu, Dunji [ORNL; An, Ke [ORNL; Gao, Carrie Y [ORNL; Heller, William T [ORNL; Chen, Xu [Tianjin UNiversity, China

    2013-01-01

    A portable hydro-thermo-mechanical loading cell has been designed to enable in-situ small angle neutron scattering (SANS) studies of proton exchange membranes (PEM) 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 & 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 70oC 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.

  5. Comparison of adsorption equilibrium models for the study of CL-, NO3- and SO4(2-) removal from aqueous solutions by an anion exchange resin.

    PubMed

    Dron, Julien; Dodi, Alain

    2011-06-15

    The removal of chloride, nitrate and sulfate ions from aqueous solutions by a macroporous resin is studied through the ion exchange systems OH(-)/Cl(-), OH(-)/NO(3)(-), OH(-)/SO(4)(2-), and HCO(3)(-)/Cl(-), Cl(-)/NO(3)(-), Cl(-)/SO(4)(2-). They are investigated by means of Langmuir, Freundlich, Dubinin-Radushkevitch (D-R) and Dubinin-Astakhov (D-A) single-component adsorption isotherms. The sorption parameters and the fitting of the models are determined by nonlinear regression and discussed. The Langmuir model provides a fair estimation of the sorption capacity whatever the system under study, on the contrary to Freundlich and D-R models. The adsorption energies deduced from Dubinin and Langmuir isotherms are in good agreement, and the surface parameter of the D-A isotherm appears consistent. All models agree on the order of affinity OH(-)exchange processes under study among other adsorption isotherms. The nonlinear regression results are also compared with linear regressions. While the parameter values are not affected, the evaluation of the best fitting model is biased by linearization. PMID:21497015

  6. Electron spin resonance and electron spin echo modulation studies of ion-exchanged NiH-SAPO-17 and NiH-SAPO-35 molecular sieves: Comparison with ion-exchanged NiH-SAPO-34 molecular sieve

    SciTech Connect

    Djieugoue, M.A.; Prakash, A.M.; Zhu, Z.; Kevan, L. [Univ. of Houston, TX (United States). Dept. of Chemistry] [Univ. of Houston, TX (United States). Dept. of Chemistry

    1999-08-26

    Erionite-like silicoaluminophosphate molecular sieve SAPO-17 and levyne-like SAPO-35, in which Ni ions were incorporated via solid-state ion-exchange into known extra framework sites, have been studied by electron spin resonance (ESR) and electron spin echo modulation (ESEM). The Ni ion reducibility, location, and interaction with several adsorbates have been investigated. Among these adsorbates, the interaction with nitric oxide was emphasized and compared to that of Ni ion with NO in the previously studied chabazite-like SAPO-34. Room-temperature adsorption of C{sub 2}D{sub 4} on NiH-SAPO-17 after dehydration at 573 K, oxygen treatment at 823 K, evacuation, and subsequent hydrogen treatment at 573 K produces two Ni-ethylene complexes. Carbon monoxide adsorption gives rise to a Ni(I)-(CO){sub n} complex with unresolved {sup 13}C hyperfine lines. Following the kinetics of nitric oxide adsorption on NiH-SAPO-17 shows that initially, a Ni(I)-(NO){sup +} complex, a NO radical, and a new species which appears to be another NO species are generated. After a reaction time of 24 h, NO{sub 2} is observed. As the adsorption time further increases, NO{sub 2} becomes stronger while Ni(I)-(NO){sup +} decays, and after 5 days only NO{sub 2} remains. NO adsorption on NiH-SAPO-35 shows different features. Initially, two Ni(I)-(NO){sup +} complexes along with a NO radical are seen. As the adsorption time increases, one of the Ni(I)-(NO){sup +} complexes decreases in intensity while the other one increases, and after a few days only one Ni(I)-(NO){sup +} complex remains. Simulation of the {sup 31}P ESEM spectrum, supplemented by {sup 27}Al modulation, suggests that, upon dehydration, Ni ions in NiH-SAPO-17 migrate from the erioinite supercage to the smaller cancrinite cage. In dehydrated NiH-SAPO-17 migrate from the erionite supercage to the smaller cancrinite cage. In dehydrated NiH-SAPO-34 and NiH-SAPO-35, Ni ions remain in the large chabazite and levyne cages, respectively. As a consequence, Ni(II) in NiH-SAPO-17 is less sensitive to reduction by hydrogen than it is in NiH-SAPO-34 and NiH-SAPO-35.

  7. Electron spin resonance and electron spin echo modulation studies of ion-exchanged NiH-SAPO-17 and NiH-SAPO-35 molecular sieves: Comparison with ion-exchanged NiH-SAPO-34 molecular sieve

    SciTech Connect

    Djieugoue, M.A.; Prakash, A.M.; Zhu, Z.; Kevan, L. (Univ. of Houston, TX (United States). Dept. of Chemistry)

    1999-08-26

    Erionite-like silicoaluminophosphate molecular sieve SAPO-17 and levyne-like SAPO-35, in which Ni ions were incorporated via solid-state ion-exchange into known extra framework sites, have been studied by electron spin resonance (ESR) and electron spin echo modulation (ESEM). The Ni ion reducibility, location, and interaction with several adsorbates have been investigated. Among these adsorbates, the interaction with nitric oxide was emphasized and compared to that of Ni ion with NO in the previously studied chabazite-like SAPO-34. Room-temperature adsorption of C[sub 2]D[sub 4] on NiH-SAPO-17 after dehydration at 573 K, oxygen treatment at 823 K, evacuation, and subsequent hydrogen treatment at 573 K produces two Ni-ethylene complexes. Carbon monoxide adsorption gives rise to a Ni(I)-(CO)[sub n] complex with unresolved [sup 13]C hyperfine lines. Following the kinetics of nitric oxide adsorption on NiH-SAPO-17 shows that initially, a Ni(I)-(NO)[sup +] complex, a NO radical, and a new species which appears to be another NO species are generated. After a reaction time of 24 h, NO[sub 2] is observed. As the adsorption time further increases, NO[sub 2] becomes stronger while Ni(I)-(NO)[sup +] decays, and after 5 days only NO[sub 2] remains. NO adsorption on NiH-SAPO-35 shows different features. Initially, two Ni(I)-(NO)[sup +] complexes along with a NO radical are seen. As the adsorption time increases, one of the Ni(I)-(NO)[sup +] complexes decreases in intensity while the other one increases, and after a few days only one Ni(I)-(NO)[sup +] complex remains. Simulation of the [sup 31]P ESEM spectrum, supplemented by [sup 27]Al modulation, suggests that, upon dehydration, Ni ions in NiH-SAPO-17 migrate from the erioinite supercage to the smaller cancrinite cage. In dehydrated NiH-SAPO-17 migrate from the erionite supercage to the smaller cancrinite cage. In dehydrated NiH-SAPO-34 and NiH-SAPO-35, Ni ions remain in the large chabazite and levyne cages, respectively. As a consequence, Ni(II) in NiH-SAPO-17 is less sensitive to reduction by hydrogen than it is in NiH-SAPO-34 and NiH-SAPO-35.

  8. Stability analysis of heat exchanger dynamics

    Microsoft Academic Search

    Tiejun Zhang; John T. Wen; Juan Catano; Rongliang Zhou

    2009-01-01

    In the study of vapor compression cycle, momentum balance equation is often ignored in the heat exchanger model. In this paper, we investigate the effect of the momentum balance through a systematic study of the open loop stability of a heat exchanger. We consider 1-D fluid flow in a pipe in four cases of increasing complexity the most general case

  9. Ion Exchange Studies for Removal of Sulfate from Hanford Tank Waste Envelope C (241-AN-107) Using SuperLig 655 Resin

    SciTech Connect

    DE Kurath; JR Bontha; DL Blanchard; SK Fiskum; BM Rapko

    2000-08-23

    BNFL Inc. is evaluating various pretreatment technologies to mitigate the impacts of sulfate on the LAW vitrification system. One pretreatment technology for separating sulfate from LAW solutions involves the use of SuperLig{reg_sign} 655 (SL-655), a proprietary ion exchange material developed and supplied by IBC Advanced Technologies, Inc., American Fork, UT. This report describes testing of SL-655 with diluted ([Na] {approximately} 5 M) waste from Hanford Tank 241-AN-107 at Battelle, Pacific Northwest Division. Batch contact studies were conducted from 4 to 96 hours to determine the sulfate distribution coefficient and reaction kinetics. A small-scale ion exchange column test was conducted to evaluate sulfate removal, loading, breakthrough, and elution from the SL-655. In all of these tests, an archived 241-AN-107 tank waste sample (pretreated to remove Cs, Sr, and transuranics elements) was used. The experimental details and results are described in this report. Under the test conditions, SL-655 was found to have no significant ion exchange affinity for sulfate in this matrix. The batch contact study resulted in no measurable difference in the aqueous sulfate concentration following resin contact (K{sub d} {approximately} 0). The column test also demonstrated SL-655 had no practical affinity for sulfate in the tested matrix. Within experimental error, the sulfate concentration in the column effluent was equal to the concentration in the feed after passing 3 bed volumes of sample through the columns. Furthermore, some, if not all, of the decreased sulfate concentration in these first three column volumes of effluent can be ascribed to mixing and dilution of the 241-AN-107 feed with the interstitial liquid present in the column at the start of the loading cycle. Finally, ICP-AES measurements on the eluate solutions showed the presence of barium as soon as contact with the feed solution is completed. Barium is a metal not detected in the feed solution. Should the loss of barium be correlated with the resin's ability to selectively complex sulfate, then maintaining even the current limited resin characteristics for sulfate complexation over multiple cycles becomes questionable.

  10. Spectroscopic Studies on Physicochemical Natures of Ion Exchangers and Highly Functional Polymers and Their Application to Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Yoshimura, Kazuhisa

    The absorption spectra or NMR spectra of chemical species adsorbed on ion exchangers and highly functional polymers such as crosslinked dextran could be directly measured by the corresponding solution methods. Spectrophotometric measurements of a target species in the solid phase have been extended to solid phase spectrometry (SPS), based on the direct measurement of light-absorption by the solid phase, which has adsorbed the target analyte. SPS has employed two different procedures; i.e., batch and flow methods. The Lambert-Beer law could be applicable to the solid particle layer system. The sensitivity was proportional to the volume ratio of the solid and sample solution, giving more than 100 times the sensitivity obtainable with the combination of a 0.1 cm3 solid and a 10-100 cm3 sample for the batch method. An online measurement of the light attenuation by the adsorbed species in the flow-through cell made it possible to both significantly reduce the sample solution volume and to simplify the respective procedures for the derivatization of the analyte and packing the solid particles into the cell. Because the cross-linked dextran and similar glucopyranoside-based gels have polyol moieties in their gel matrix, they could be used as oxo acid-selective adsorbents without introducing any special functional groups. Especially, in the case of boric acid, 11B NMR spectroscopy was one of the best tools for elucidating the nature of the interaction between boric acid/borate and polyols. Its combination with other methods enabled basic understanding of the chemical reactions. Reaction paths for 1:1 complexation are in general divided into two groups, i.e., neutral polyols that directly react with tetrahedral borate, and acidic polyols that react with trigonal boric acid in a 1:1 complexation. Both of the reactions produce tetrahedral anionic complexes, followed by a condensation reaction between the 1:1 monochelate complex and the undissociated diols to yield the 1:2 bischelate complex. A basic understanding of the complexation made it possible to clarify the principles involving the practical aspects of the complexation.

  11. Feasibility study on the applicability of a diffusion-welded compact intermediate heat exchanger to next-generation high temperature gas-cooled reactor

    Microsoft Academic Search

    Takeshi Takeda; Kazuhiko Kunitomi; Tetsuji Horie; Katsuo Iwata

    1997-01-01

    The development of an intermediate heat exchanger (IHX) transferring high temperature heat to a process heat application is of prime importance for a next-generation high temperature gas-cooled reactor (HTGR). The IHX needs high structural integrity and reliability over 900°C for a long duration. A plate fin type compact heat exchanger (PFCHX) has a large heat transfer area per heat exchanger

  12. Multiple Flux Footprints, Flux Divergences and Boundary Layer Mixing Ratios: Studies of Ecosystem-Atmosphere CO2 Exchange Using the WLEF Tall Tower

    Microsoft Academic Search

    K. J. Davis; P. S. Bakwin; C. Yi; B. D. Cook; W. Wang; A. S. Denning; R. Teclaw; J. G. Isebrands

    2001-01-01

    Long-term, tower-based measurements using the eddy-covariance method have revealed a wealth of detail about the temporal dynamics of netecosystem-atmosphere exchange (NEE) of CO2. The data also provide a measure of the annual net CO2 exchange. The area represented by these flux measurements, however, is limited, and doubts remain about possible systematic errors that may bias the annual net exchange measurements.

  13. Mutagenicity studies on herring gulls from different locations on the Great Lakes. I. Sister chromatid exchange rates in herring-gull embryos.

    PubMed

    Ellenton, J A; McPherson, M F

    1983-01-01

    Unincubated herring-gull (Larus argentatus) eggs were collected from five colonies on the Great Lakes Basin and from one relatively pollutant-clean colony on the Atlantic coast. Eggs were incubated at 38 degrees C with 55% relative humidity, and sister chromatid exchange (SCE) levels were measured in 7-d embryos. For all of the colonies, the average SCE/chromosome frequency ranged from 0.069 to 0.101; however, no significant differences were found. Organochlorine analysis was carried out on egg homogenates for each colony, to determine the levels of several contaminants. There were no relationships found between any of the contaminant levels and the SCE frequencies. The study indicates that either the contaminants present in the herring-gull eggs are not having any genetic effects on the embryos or, alternatively, that there may be genetic damage that measurement of SCEs in the 7-d embryo is unable to detect. PMID:6655738

  14. Study of the thermal transformations of Co- and Fe-exchanged zeolites A and X by 'in situ' XRD under reducing atmosphere

    SciTech Connect

    Ronchetti, Silvia, E-mail: silvia.ronchetti@polito.it [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)] [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Turcato, Elisa Aurelia; Delmastro, Alessandro [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)] [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy); Esposito, Serena; Ferone, Claudio; Pansini, Michele [Laboratorio Materiali del Dipartimento di Meccanica, Strutture, Ambiente e Territorio, Facolta di Ingegneria dell'Universita di Cassino, Via G. Di Biasio 43, 03043 Cassino (Italy)] [Laboratorio Materiali del Dipartimento di Meccanica, Strutture, Ambiente e Territorio, Facolta di Ingegneria dell'Universita di Cassino, Via G. Di Biasio 43, 03043 Cassino (Italy); Onida, Barbara; Mazza, Daniele [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)] [Dipartimento di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)

    2010-06-15

    'In situ' high temperature X-ray diffraction under reducing atmosphere is used for the first time to study the thermal stability and transformations of Co- and Fe-exchanged A and X zeolites. TG-DTA and 'ex situ' XRD characterization were also carried out. The temperature of incipient crystallization of metallic phase was found to be 700 {sup o}C in Fe-zeolites and 800 {sup o}C in Co-zeolites. Moreover, ex situ X-ray experiments, after thermal treatment both under inert and reducing atmosphere, revealed the formation of ceramic phases upon the thermal collapse of the zeolitic framework. Metal nanoparticles were obtained by reduction and the size of metal clusters was found to range between 24 and 40 nm.

  15. Solvent Dependence of the Molecular Order in Ion-Exchanged Self-Assembled dialkylammonium Monolayers on Mica Studied with Soft X-ray Absorption

    SciTech Connect

    Hahner,G.; Zwahlen, M.; Caseri, W.

    2005-01-01

    Dialkyldimethylammonium films on mica prepared via ion exchange from solution have been reported to be of high quality in terms of their density and molecular orientation. Different preparation procedures are described in the literature. The molecular order and the inclination of the alkyl chains, however, are often deduced from indirect experimental evidence such as the wettability and the film thickness. In the present study we employed near edge X-ray absorption fine structure spectroscopy (NEXAFS) to determine directly the order of the molecules adsorbed from different solvents (water, methanol, water/methanol 1:1, cyclohexanol, and chloroform). It was found that films prepared from different solvents are displaying large differences in the established surface coverage and orientation. In particular, NEXAFS disclosed that the orientation of the alkyl chains can differ significantly even when similar water contact angle values are observed.

  16. Parisian exchange options

    Microsoft Academic Search

    An Chen; Michael Suchanecki

    2010-01-01

    The option to exchange one asset for another is one of the oldest and one of the most popular exotic options. In the present article, we extend the existing literature on options to Parisian exchange options, i.e. the option to exchange one asset for the other contingent on the occurrence of the Parisian time. Thus, these options are a special

  17. EXCHANGE VISITOR PROGRAM GUIDE

    E-print Network

    Bieber, Michael

    process should be ad- dressed to the Department of Re- search and Development If visitor qualifies for J-1 For complete and comprehensive J-1 guidance please refer to: http://www.state.gov/ J-1 Exchange Visitor Prospective 2 J-1 Exchange Visitor Categories 2 Flow chart 3 SECTION 1. The NJIT Exchange Visitor J-1 Program

  18. Effects of ionizing radiation on modern ion exchange materials

    SciTech Connect

    Marsh, S.F.; Pillay, K.K.S.

    1993-10-01

    We review published studies of the effects of ionizing radiation on ion exchange materials, emphasizing those published in recent years. A brief overview is followed by a more detailed examination of recent developments. Our review includes styrene/divinylbenzene copolymers with cation-exchange or anion-exchange functional groups, polyvinylpyridine anion exchangers, chelating resins, multifunctional resins, and inorganic exchangers. In general, strong-acid cation exchange resins are more resistant to radiation than are strong-base anion exchange resins, and polyvinylpyridine resins are more resistant than polystyrene resins. Cross-linkage, salt form, moisture content, and the surrounding medium all affect the radiation stability of a specific exchanger. Inorganic exchangers usually, but not always, exhibit high radiation resistance. Liquid ion exchangers, which have been used so extensively in nuclear processing applications, also are included.

  19. What do external consultants from private and not-for-profit companies offer healthcare commissioners? A qualitative study of knowledge exchange

    PubMed Central

    Wye, Lesley; Brangan, Emer; Cameron, Ailsa; Gabbay, John; Klein, Jonathan H; Anthwal, Rachel; Pope, Catherine

    2015-01-01

    Objectives The use of external consultants from private and not-for-profit providers in the National Health Service (NHS) is intended to improve the quality of commissioning. The aim of this study was to learn about the support offered to healthcare commissioners, how external consultants and their clients work together and the perceived impact on the quality of commissioning. Setting NHS commissioning organisations and private and not-for-profit providers. Design Mixed methods case study of eight cases. Data collection 92 interviews with external consultants (n=36), their clients (n=47) and others (n=9). Observation of 25 training events and meetings. Documentation, for example, meeting minutes and reports. Analysis Constant comparison. Data were coded, summarised and analysed by the research team with a coding framework to facilitate cross-case comparison. Results In the four contracts presented here, external providers offered technical solutions (eg, software tools), outsourcing and expertise including project management, data interpretation and brokering relationships with experts. In assessing perceived impact on quality of commissioning, two contracts had limited value, one had short-term benefits and one provided short and longer term benefits. Contracts with commissioners actively learning, embedding and applying new skills were more valued. Other elements of success were: (1) addressing clearly agreed problems of relevance to managerial and operational staff (2) solutions co-produced at all organisational levels (3) external consultants working directly with clients to interpret data outputs to inform locally contextualised commissioning strategies. Without explicit knowledge exchange strategies, outsourcing commissioning to external providers resulted in the NHS clients becoming dependent. Conclusions NHS commissioning will be disadvantaged if commissioners both fail to learn in the short term from the knowledge of external providers and in the longer term lose local skills. Knowledge exchange mechanisms are a vital component of commissioning and should be embedded in external provider contracts. PMID:25716174

  20. Ligand-exchange mechanism: new insight into solid-phase extraction of uranium based on a combined experimental and theoretical study.

    PubMed

    Tian, Yin; Fu, Jia; Zhang, Yi; Cao, Kecheng; Bai, Chiyao; Wang, Dongqi; Li, Shoujian; Xue, Ying; Ma, Lijian; Zheng, Chong

    2015-03-21

    In numerous reports on selective solid-phase extraction (SPE) of uranium, the extraction of uranium is generally accepted as a direct coordination of the ligands on the solid matrix with the uranyl, in which the critical effect of the hydration shell on the uranyl is neglected. The related mechanism in the extraction process remains unclear. Herein, the detailed calculation of activation energy and the geometry of the identified transition states reveal that the uranium extraction by a newly-synthesized urea-functionalized graphite oxide (Urea-GO) is in essence an exchange process between the ligands on Urea-GO and the coordinated water molecules in the first hydration shell of the uranyl. Moreover, we demonstrate that it is the ketone oxygen in the urea ligand to displace the coordinated water molecule of uranyl due to its stronger bonding ability and lower steric-hindrance, whereas the nitrogen atom in the same ligand is proved to be an electron donor that enables the oxygen atom to have stronger affinity for uranium through electron delocalization effects evaluated on the basis of calculations of the second-order interaction energy between donor and acceptor orbitals. We therefore propose a new ligand-exchange mechanism for the SPE process. This study advances the fundamental understanding of uranium extraction, and provides theoretical and practical guidance on ligand design for selective complexation of uranium(VI) and other metal ions in aqueous solution. Finally, the effect of nitrate ions on the extraction of uranyl was successfully explained based on the experimental and theoretical study. PMID:25690182

  1. Structural study of human growth hormone-releasing factor fragment (1?29) by vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Carmona, P.; Molina, M.; Lasagabaster, A.

    1995-05-01

    The conformational structure of fragment 1-29 of human growth hormone releasing factor, hGHRF (1-29), in aqueous solution and in the solid state is investigated by infrared and Raman spectroscopy. The polypeptide backbone is found to be unordered in the solid state. However, the spectra of the peptide prepared as 5% (w/w) aqueous solutions show that approximately 28% of the peptide is involved in intermolecular ?-sheet aggregation. The remainder of the peptide exists largely as disordered and ?-sheet conformations with a small portion of ?-helices. Tyrosine residues are found to be exposed to the solvent. The secondary structures are quantitatively examined through infrared spectroscopy, the conformational percentages being near those obtained by HONDAet al. [ Biopolymers31, 869 (1991)] using circular dichroism. The fast hydrogen/deuterium exchange in peptide groups and the absence of any NMR sign indicative of ordered structure [ G. M. CLOREet al., J. Molec. Biol.191, 553 (1986)] support that the solution conformations of the non-aggregated peptide interconvert in dynamic equilibrium. Some physiological advantages that may derive from this conformational flexibility are also discussed

  2. Field study on effects of a heat exchanger on broiler performance, energy use, and calculated carbon dioxide emission at commercial broiler farms, and the experiences of farmers using a heat exchanger.

    PubMed

    Bokkers, E A M; van Zanten, H H E; van den Brand, H

    2010-12-01

    In broiler houses, ventilation removes moisture and maintains ambient temperature and air quality. During cold weather conditions, ventilation can result in undesirable heat loss from the house. Extra input of energy for heating the building is needed then, resulting in extra CO(2) emissions when fossil fuels are used for this purpose. In such a situation, an air-to-air heat exchanger (HE) might be valuable because it recovers heat by prewarming fresh supply air with warm inside air. The aim of this study was to analyze effects of on-farm use of an HE on broiler performance, energy use, and CO(2) emission by comparing production cycles with and without an HE, and to inventory the experiences of farmers using an HE. Data were collected of production cycles finished with (102) or without (149) an HE on 25 farms. Data on mortality, feed intake, water intake, and BW gain were obtained to analyze broiler performance. When available, gas and electricity use were obtained to analyze energy use and to calculate CO(2) emission. Farmers were interviewed about their experiences regarding the HE. The use of an HE tended to increase daily weight gain (56 vs. 55, SEM 0.3 g/d; P = 0.07), but did not affect other performance variables. Based on 13 farms, gas use was reduced by 38% (P < 0.01) after installing an HE. Based on 3 farms only, an HE did not affect electricity use, total energy use, or calculated CO(2) emission. It appeared that farmers were satisfied with the HE because they experienced an increase in job satisfaction, an improvement of climate conditions and litter quality in the broiler house, and a more uniform temperature and broiler distribution in the house. We concluded that the use of an HE reduced gas use and has the ability to improve broiler weight gain but had no effect on other broiler performance variables. Effects on CO(2) emission were unclear. Farmers appeared to be positive about using an HE, because it improved broiler house climate and job satisfaction. PMID:21076115

  3. PILOT STUDY ON INTERNATIONAL EXCHANGE ON DIOXINS AND RELATED COMPOUNDS - SCIENTIFIC BASIS FOR THE DEVELOPMENT OF THE INTERNATIONAL METHOD OF RISK ASSESSMENT FOR COMPLEX MIXTURE OF DIOXINS AND RELATED COMPOUNDS

    EPA Science Inventory

    The Pilot Study on International Information Exchange on Dioxins and Related Compounds was initiated to apply the cooperative efforts of several nations to address issues associated with PCDDs, PCDFs, and related compounds. he three-year study was conducted under the CCMS of NATO...

  4. Modeling Spatial and Temporal Variability of Residential Air Exchange Rates for the Near-Road Exposures and Effects of Urban Air Pollutants Study (NEXUS)

    PubMed Central

    Breen, Michael S.; Burke, Janet M.; Batterman, Stuart A.; Vette, Alan F.; Godwin, Christopher; Croghan, Carry W.; Schultz, Bradley D.; Long, Thomas C.

    2014-01-01

    Air pollution health studies often use outdoor concentrations as exposure surrogates. Failure to account for variability of residential infiltration of outdoor pollutants can induce exposure errors and lead to bias and incorrect confidence intervals in health effect estimates. The residential air exchange rate (AER), which is the rate of exchange of indoor air with outdoor air, is an important determinant for house-to-house (spatial) and temporal variations of air pollution infiltration. Our goal was to evaluate and apply mechanistic models to predict AERs for 213 homes in the Near-Road Exposures and Effects of Urban Air Pollutants Study (NEXUS), a cohort study of traffic-related air pollution exposures and respiratory effects in asthmatic children living near major roads in Detroit, Michigan. We used a previously developed model (LBL), which predicts AER from meteorology and questionnaire data on building characteristics related to air leakage, and an extended version of this model (LBLX) that includes natural ventilation from open windows. As a critical and novel aspect of our AER modeling approach, we performed a cross validation, which included both parameter estimation (i.e., model calibration) and model evaluation, based on daily AER measurements from a subset of 24 study homes on five consecutive days during two seasons. The measured AER varied between 0.09 and 3.48 h?1 with a median of 0.64 h?1. For the individual model-predicted and measured AER, the median absolute difference was 29% (0.19 h?1) for both the LBL and LBLX models. The LBL and LBLX models predicted 59% and 61% of the variance in the AER, respectively. Daily AER predictions for all 213 homes during the three year study (2010–2012) showed considerable house-to-house variations from building leakage differences, and temporal variations from outdoor temperature and wind speed fluctuations. Using this novel approach, NEXUS will be one of the first epidemiology studies to apply calibrated and home-specific AER models, and to include the spatial and temporal variations of AER for over 200 individual homes across multiple years into an exposure assessment in support of improving risk estimates. PMID:25386953

  5. Minorities and Overseas Studies Programs: Correlates of Differential Participation. Occasional Papers on International Educational Exchange: Research Series 30.

    ERIC Educational Resources Information Center

    Hembroff, Larry A.; Rusz, Debra L.

    This study identified factors leading to lower participation in study abroad experiences on the part of minority students at Michigan State University (MSU). A survey of MSU undergraduates (n=1,139) is analyzed in terms of percentage traveling abroad, world regions visited, attitudes related to travel experiences, travel experience by…

  6. Exchange effects in a cold plasma

    E-print Network

    Ekman, Robin; Brodin, Gert

    2015-01-01

    We have studied the exchange corrections to linear electrostatic wave propagation in a plasma using a quantum kinetic formalism. Specifically we have considered the zero temperature limit. In order to simplify the calculations we have focused on the long wavelength limit, i.e. wavelengths much longer than the de Broglie wavelength. For the case of ion-acoustic waves we have calculated the exchange correction both to the damping rate and the real part of the frequency. For Langmuir waves the frequency shift due to exchange effects is found. Our results are compared with the frequency shifts deduced from commonly used exchange potentials which are computed from density functional theory.

  7. Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes

    NASA Astrophysics Data System (ADS)

    Dev, Pratibha; Agrawal, Saurabh; English, Niall J.

    2012-06-01

    UV-Vis spectra are calculated using time-dependent density functional theory for several organic dyes - 4-(N, N-dimethylamino) benzonitrile, alizarin, squaraine, polyene-linker dyes, oligothiophene-containing coumarin dyes (NKX series) and triphenylamine-donor dyes. Most of these dyes (except, for the first two) or their derivatives are considered to be promising organic dyes for dye-sensitized solar cells. An accurate description of the photophysics of such dyes is imperative for understanding and creating better dyes. To this end, we studied the dyes within several approximations to the exchange-correlation functional. The chosen functionals - PBE, M06L, B3LYP, M06, CAM-B3LYP, and wB97 - represent the various classes of approximations that are currently being used to study material properties. From amongst the six approximations studied here, CAM-B3LYP outperformed the others in its description of charge-transfer excitations in most (though, not all) of the dyes. This study shows why it is difficult to choose a particular functional a priori, especially when starting out with a new dye for solar cell application. A possible way to judge the fitness of an approximation is used in this work and it is shown to provide a good quantitative guideline for subsequent research in this field.

  8. Journal of the Korean Physical Society, Vol. 62, No. 10, May 2013, pp. 13681371 XMCD Study of the Magnetic Exchange Coupling

    E-print Network

    Diggavi, Suhas

    Nanomagnets, X-ray magnetic circular dichroism, Exchange Coupling, Rare Earths DOI: 10.3938/jkps.62.1368 I lately been extended to compounds containing rare earth (4f) ions [6]. The lat- ter have rather different to extract the exchange coupling strengths. Furthermore, x-ray magnetic circu- lar dichroism [9] (XMCD

  9. Numerical study of sulfur trioxide decomposition in bayonet type heat exchanger and chemical decomposer with porous media zone and different packed bed designs

    Microsoft Academic Search

    Vijaisri Nagarajan; Valery Ponyavin; Yitung Chen; Milton E. Vernon; Paul Pickard; Anthony E. Hechanova

    2008-01-01

    The Department of Energy (DOE) Nuclear Hydrogen Initiative was investigating thermochemical cycles for hydrogen production using high temperature heat exchangers. The present work was concerned with use of bayonet type heat exchanger as silicon carbide integrated decomposer (SID) which produces sulfuric acid decomposition product – sulfur dioxide. The product can be used within the sulfur–iodine thermochemical cycle and hybrid sulfur

  10. A Case Study of the Use of BIM and Construction Operations Building Information Exchange (COBie) for Facility Management

    E-print Network

    Jawadekar, Salil

    2012-10-19

    is divided into the sections of Responsibility for database formulation, Characteristics of database, Technology and Effect on work order response times. A qualitative analysis is conducted to study the application of these concepts and identify any problems...

  11. A Case Study of the Use of BIM and Construction Operations Building Information Exchange (COBie) for Facility Management 

    E-print Network

    Jawadekar, Salil

    2012-10-19

    is divided into the sections of Responsibility for database formulation, Characteristics of database, Technology and Effect on work order response times. A qualitative analysis is conducted to study the application of these concepts and identify any problems...

  12. Electrically Switched Cesium Ion Exchange

    SciTech Connect

    JPH Sukamto; ML Lilga; RK Orth

    1998-10-23

    This report discusses the results of work to develop Electrically Switched Ion Exchange (ESIX) for separations of ions from waste streams relevant to DOE site clean-up. ESIX combines ion exchange and electrochemistry to provide a selective, reversible method for radionuclide separation that lowers costs and minimizes secondary waste generation typically associated with conventional ion exchange. In the ESIX process, an electroactive ion exchange film is deposited onto. a high surface area electrode, and ion uptake and elution are controlled directly by modulating the potential of the film. As a result, the production of secondary waste is minimized, since the large volumes of solution associated with elution, wash, and regeneration cycles typical of standard ion exchange are not needed for the ESIX process. The document is presented in two parts: Part I, the Summary Report, discusses the objectives of the project, describes the ESIX concept and the approach taken, and summarizes the major results; Part II, the Technology Description, provides a technical description of the experimental procedures and in-depth discussions on modeling, case studies, and cost comparisons between ESIX and currently used technologies.

  13. Dynamic 13C NMR studies of ligand exchange in linear (d10) silver(I) and gold(I) and square-planar (d8) rhodium(I) homoleptic metal carbonyl cations in superacidic media.

    PubMed

    von Ahsen, B; Bach, C; Balzer, G; Bley, B; Bodenbinder, M; Hägele, G; Willner, H; Aubke, F

    2005-07-01

    The dynamic CO exchange of the monovalent metal carbonyl cations [Ag(13CO)]+, [Au(13CO)2]+-Au(13CO) SO3F and [Rh(12CO)4-x(13CO)x]+ (x < or = 1) in superacidic solutions was studied by variable-temperature 13C NMR methods. The exchange rates are strongly dependent on the acidity of the solvent, the concentration of metal carbonyl cations and temperature. Whereas a suitable exchange rate of the Ag(I) system is only accessible in magic acid (HSO3F-SbF5), the more stable Au(I) and Rh(I) systems were studied in the less acidic fluorosulfuric acid. Selected solutions of Ag(I), Rh(I) and Au(I) yielded activation barriers deltaG* of 42.7, 43.5, and 56.2 kJ mol(-1) respectively. PMID:15861386

  14. High Resolution Charge Exchange Reaction and Analogous {beta}-decay for the Study of Gamow-Teller Transition Strengths

    SciTech Connect

    Fujita, Y. [Department of Physics, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Rubio, B. [IFIC, CSIC-University of Valencia, E-46071 Valencia (Spain)

    2007-06-13

    Isospin symmetry is expected for the Tz = {+-}1 {yields} 0 isobaric analogous transitions in isobars with mass number A, where Tz is the z component of isospin T. Assuming this symmetry, strengths of analogous Gamow-Teller (GT) transitions within A = 50 isobars were determined from a high energy-resolution Tz = + 1 {yields} 0, 50Cr(3He,t)50Mn study at 0 deg. in combination with the decay Q-value and lifetime from the Tz = -1 {yields} 0, 50Fe{yields}50Mn {beta} decay. This method can be applied to other pf-shell nuclei and can be used to study GT strengths of astrophysical interest.

  15. Individual Differences in Reactions to Inequitable Exchanges

    Microsoft Academic Search

    Barbara B. Ellis; Louis A. Penner

    1983-01-01

    This study investigated the role of sociopathic tendencies in reactions to inequitable exchanges. Subjects were 273 males and females classified as high or low in sociopathy. High sociopathic subjects were further divided into primary or secondary sociopaths on the basis of their levels of anxiety and guilt. Subjects read narratives of inequitable exchanges and assumed the role of the exploiter

  16. Study on the occurrence of spontaneously established perpendicular exchange bias in Co{sub 49}Pt{sub 51}/IrMn bilayers

    SciTech Connect

    Tsai, C. Y.; Lin, K. F. [Graduate Institute of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Hsu, Jen-Hwa, E-mail: jhhsu@phys.ntu.edu.tw [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Saravanan, P. [Department of Physics, National Taiwan University, Taipei 106, Taiwan (China); Defence Metallurgical Research Laboratory, Hyderabad 500058 (India)

    2014-05-07

    In this study, perpendicular exchange bias (PEB) effect in the as-grown Co{sub 49}Pt{sub 51}/IrMn bilayers was demonstrated at room temperature using single-layered Co{sub 49}Pt{sub 51} alloy thin film as ferromagnetic (FM) layer. Several unusual features were observed in this system, viz.,: (i) the PEB was spontaneously established without any external magnetic field treatments, (ii) single-shifted loops were obtained rather than double-shifted ones, and (iii) the spontaneous PEB effect was accompanied by a reduction in perpendicular coercivity, H{sub c?} from 1024 to 632?Oe. The results of x–ray diffraction revealed the formation of IrMn (111) texture. Training effect studies indicate that the PEB effect is stable in this system with less than 5% variation in PEB value within 15 repetitive scans. Significant reduction in the PEB effect was found for the CoPt/IrMn films either grown or subjected to post-annealing under external magnetic field (H{sub ind}). The thickness dependence of PEB effect with respect to the FM and antiferromagnetic layers were also investigated and a largest PEB value of 533?Oe was obtained for the sample grown with 3-nm thick CoPt and 10-nm thick IrMn layers. The results of present study thus establish an opportunity to realize PEB effect in the absence of external field during fabrication.

  17. Temporal Dynamics of Social Exchange and the Development of Solidarity: "Testing the Waters" versus "Taking a Leap of Faith"

    ERIC Educational Resources Information Center

    Kuwabara, Ko; Sheldon, Oliver

    2012-01-01

    In their concerted efforts to unpack the microprocesses that transform repeated exchanges into an exchange relation, exchange theorists have paid little attention to how actors perceive changes and dynamics in exchanges over time. We help fill this gap by studying how temporal patterns of exchange affect the development of cohesion. Some exchange

  18. A Working Bibliography on Published Materials on Black Studies Programs in the United States. Exchange Bibliography #1213.

    ERIC Educational Resources Information Center

    Davis, Lenwood G.

    This is a working bibliography on published materials on black studies programs in the United States. It includes books, pamphlets, articles, dissertations, general reference works, and current black periodicals. It also includes a listing of United States libraries with major black history book collections. (Author/AM)

  19. Theoretical Studies of Nuclear Magnetic Resonance Parameters for the Proton-Exchange Pathways in Porphyrin and Porphycene

    E-print Network

    Helgaker, Trygve

    in Porphyrin and Porphycene Hubert Cybulski Department of Chemistry, UniVersity of Tromsø, N-9037 Tromsø: January 12, 2005 The nuclear magnetic resonance (NMR) parameters in porphyrin and porphycene have been, we study the free-base porphyrin and the structurally related porphycene molecule. Porphyrin

  20. Language and Development in Multilingual Settings: A Case Study of Knowledge Exchange and Teacher Education in South Africa

    ERIC Educational Resources Information Center

    Rassool, Naz; Edwards, Viv; Bloch, Carole

    2006-01-01

    The quality of a country's human-resource base can be said to determine its level of success in social and economic development. This study focuses on some of the major human-resource development issues that surround the implementation of South Africa's policy of multilingualism in education. It begins by discussing the relationship between…