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Sample records for h-d exchange mass

  1. Slow Histidine H/D Exchange Protocol for Thermodynamic Analysis of Protein Folding and Stability using Mass Spectrometry

    OpenAIRE

    Tran, Duc T.; Banerjee, Sambuddha; Alayash, Abdu I.; Crumbliss, Alvin L.; Fitzgerald, Michael C.

    2012-01-01

    Described here is a mass spectrometry based protocol to study the thermodynamic stability of proteins and protein-ligand complexes using the slow H/D exchange reaction of the imidazole C2 proton in histidine side chains. The protocol, which involves evaluating the denaturant dependence of this slow H/D exchange reaction in proteins, allows the global and/or subglobal unfolding/refolding properties of proteins and protein-ligand complexes to be probed. The protocol is developed using several m...

  2. Rapid Screening for Potential Epitopes Reactive with a Polycolonal Antibody by Solution-Phase H/D Exchange Monitored by FT-ICR Mass Spectrometry

    Science.gov (United States)

    Zhang, Qian; Noble, Kyle A.; Mao, Yuan; Young, Nicolas L.; Sathe, Shridhar K.; Roux, Kenneth H.; Marshall, Alan G.

    2013-07-01

    The potential epitopes of a recombinant food allergen protein, cashew Ana o 2, reactive to polyclonal antibodies, were mapped by solution-phase amide backbone H/D exchange (HDX) coupled with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Ana o 2 polyclonal antibodies were purified in the serum from a goat immunized with cashew nut extract. Antibodies were incubated with recombinant Ana o 2 (rAna o 2) to form antigen:polyclonal antibody (Ag:pAb) complexes. Complexed and uncomplexed (free) rAna o 2 were then subjected to HDX-MS analysis. Four regions protected from H/D exchange upon pAb binding are identified as potential epitopes and mapped onto a homologous model.

  3. Application of Atmospheric Pressure Photoionization H/D-exchange Mass Spectrometry for Speciation of Sulfur-containing Compounds.

    Science.gov (United States)

    Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Ha, Ji-Hyoung; Kim, Sunghwan

    2017-08-01

    Herein we report the observation of atmospheric pressure in-source hydrogen-deuterium exchange (HDX) of thiol group for the first time. The HDX for thiol group was optimized for positive atmospheric pressure photoionization (APPI) mass spectrometry (MS). The optimized HDX-MS was applied for 31 model compounds (thiols, thiophenes, and sulfides) to demonstrate that exchanged peaks were observed only for thiols. The optimized method has been successfully applied to the isolated fractions of sulfur-rich oil samples. The exchange of one and two thiol hydrogens with deuterium was observed in the thiol fraction; no HDX was observed in the other fractions. Thus, the results presented in this study demonstrate that the HDX-MS method using APPI ionization source can be effective for speciation of sulfur compounds. This method has the potential to be used to access corrosion problems caused by thiol-containing compounds. Graphical Abstract ᅟ.

  4. Probing the Binding Interfaces of Protein Complexes Using Gas-Phase H/D Exchange Mass Spectrometry

    DEFF Research Database (Denmark)

    Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F

    2016-01-01

    Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub-milliseco......Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub......-millisecond time span after electrospray ionization by ND3 gas can provide structural insights into protein conformers present in solution. Here, we have explored the use of gas-phase HDX-MS for probing the higher-order structure and binding interfaces of protein complexes originating from native solution...

  5. Using positive-ion electrospray ionization mass spectrometry and H/D exchange study phosphoryl group transfer reactions involved in amino acid ester isopropyl phosphoramidates of Brefeldin A

    International Nuclear Information System (INIS)

    Fang, Mei-Juan; Zhang, He; Liao, Chao; Qiu, Ying-Kun; Fang, Hua; Zheng, Zhen-Yu; Gao, Xiang; Zhao, Yu-Fen; Wu, Zhen

    2015-01-01

    Highlights: • ESI-MS n , HRMS and H/D exchange were used. • The fragmentation pathways of NPAAE-BFA in ESI-MS n were described. • Fragment ions involved in phosphorus group’s rearrangement reactions were observed. • Two rearrangement mechanisms about phosphorylation–dephosphorylation were proposed. - Abstract: As mini-chemical models, amino acid ester isopropyl phosphoramidates of Brefeldin A (compounds 2a–2d) were synthesized and investigated by electrospray ionization tandem mass spectrometry in combination with H/D exchange. To further confirm the fragments’s structures, off-line Fourier transform resonance tandem mass spectrometry (FT-ICR-MS/MS) was also performed. The fragmentation rules of compounds 2a–2d have been summarized and the plausible schemes for the fragmentation pathways were proposed. In this study, one dephosphorylated ion and two phosphorylated ions were observed in ESI-MS 2 spectra of [M + Na] + ions for compounds 2a–2d. The possible mechanisms about phosphorylation and dephosphorylation were proposed and confirmed by H/D exchange. For the “dephosphorylation” rearrangement, a nitrogen atom was migrated from the phosphoryl group to the carbon atom of Brefeldin A’s backbone with losing a molecule of C 3 H 7 PO 3 (122 Da). For the “phosphorylation” rearrangement, an oxygen atom of one phosphoryl group attacked the sideward phosphorus atom to form a nine-member ring intermediate, then two steps of C-H covalent bond cleavage with consecutive migration of hydrogen atom to lose a molecule of C 16 H 20 O 2 (244 Da). The two proposed rearrangement mechanisms about phosphoryl group transfer might be valuable for the structure analysis of other analogs and provide insights into elucidating the dynamic process of the phosphorylation–dephosphorylation of proteins

  6. Using positive-ion electrospray ionization mass spectrometry and H/D exchange study phosphoryl group transfer reactions involved in amino acid ester isopropyl phosphoramidates of Brefeldin A

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Mei-Juan; Zhang, He; Liao, Chao; Qiu, Ying-Kun [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); Fang, Hua [The Third Institute of Oceanography of the State Oceanic Administration, Xiamen 361005 (China); Zheng, Zhen-Yu [College of Chemistry and Chemical Engineering, Department of Chemistry, Xiamen University, Xiamen 361005 (China); Gao, Xiang [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); Zhao, Yu-Fen [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China); College of Chemistry and Chemical Engineering, Department of Chemistry, Xiamen University, Xiamen 361005 (China); Wu, Zhen, E-mail: wuzhen@xmu.edu.cn [School of Pharmaceutical Sciences and the Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiang-An South Road, Xiamen 361102 (China)

    2015-01-01

    Highlights: • ESI-MS{sup n}, HRMS and H/D exchange were used. • The fragmentation pathways of NPAAE-BFA in ESI-MS{sup n} were described. • Fragment ions involved in phosphorus group’s rearrangement reactions were observed. • Two rearrangement mechanisms about phosphorylation–dephosphorylation were proposed. - Abstract: As mini-chemical models, amino acid ester isopropyl phosphoramidates of Brefeldin A (compounds 2a–2d) were synthesized and investigated by electrospray ionization tandem mass spectrometry in combination with H/D exchange. To further confirm the fragments’s structures, off-line Fourier transform resonance tandem mass spectrometry (FT-ICR-MS/MS) was also performed. The fragmentation rules of compounds 2a–2d have been summarized and the plausible schemes for the fragmentation pathways were proposed. In this study, one dephosphorylated ion and two phosphorylated ions were observed in ESI-MS{sup 2} spectra of [M + Na]{sup +} ions for compounds 2a–2d. The possible mechanisms about phosphorylation and dephosphorylation were proposed and confirmed by H/D exchange. For the “dephosphorylation” rearrangement, a nitrogen atom was migrated from the phosphoryl group to the carbon atom of Brefeldin A’s backbone with losing a molecule of C{sub 3}H{sub 7}PO{sub 3} (122 Da). For the “phosphorylation” rearrangement, an oxygen atom of one phosphoryl group attacked the sideward phosphorus atom to form a nine-member ring intermediate, then two steps of C-H covalent bond cleavage with consecutive migration of hydrogen atom to lose a molecule of C{sub 16}H{sub 20}O{sub 2} (244 Da). The two proposed rearrangement mechanisms about phosphoryl group transfer might be valuable for the structure analysis of other analogs and provide insights into elucidating the dynamic process of the phosphorylation–dephosphorylation of proteins.

  7. Impurity profiling of liothyronine sodium by means of reversed phase HPLC, high resolution mass spectrometry, on-line H/D exchange and UV/Vis absorption.

    Science.gov (United States)

    Ruggenthaler, M; Grass, J; Schuh, W; Huber, C G; Reischl, R J

    2017-09-05

    For the first time, a comprehensive investigation of the impurity profile of the synthetic thyroid API (active pharmaceutical ingredient) liothyronine sodium (LT 3 Na) was performed by using reversed phase HPLC and advanced structural elucidation techniques including high resolution tandem mass spectrometry (HRMS/MS) and on-line hydrogen-deuterium (H/D) exchange. Overall, 39 compounds were characterized and 25 of these related substances were previously unknown to literature. The impurity classification system recently developed for the closely related API levothyroxine sodium (LT 4 Na) could be applied to the newly characterized liothyronine sodium impurities resulting in a wholistic thyroid API impurity classification system. Furthermore, the mass-spectrometric CID-fragmentation of specific related substances was discussed and rationalized by detailed fragmentation pathways. Moreover, the UV/Vis absorption characteristics of the API and selected impurities were investigated to corroborate chemical structure assignments derived from MS data. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Asymmetric H-D exchange reactions of fluorinated aromatic ketones

    KAUST Repository

    Zhao, Yujun; Lim, XiaoZhi; Pan, Yuanhang; Zong, Lili; Feng, Wei; Tan, Choonhong; Huang, Kuo-Wei

    2012-01-01

    Chiral bicyclic guanidine catalyzes the asymmetric H-D exchange reactions. Up to 30% ee was achieved. DFT calculations were employed to elucidate and explain the origin of the reaction's stereoselectivity. © 2012 The Royal Society of Chemistry.

  9. Asymmetric H-D exchange reactions of fluorinated aromatic ketones

    KAUST Repository

    Zhao, Yujun

    2012-01-01

    Chiral bicyclic guanidine catalyzes the asymmetric H-D exchange reactions. Up to 30% ee was achieved. DFT calculations were employed to elucidate and explain the origin of the reaction\\'s stereoselectivity. © 2012 The Royal Society of Chemistry.

  10. H-D exchange on natural aluminosilicates of orthosilicate group

    International Nuclear Information System (INIS)

    Markevich, S.V.; Kolesnikov, I.M.

    1982-01-01

    Experimental data are presented on the effect of aluminium ion coordination in the composition of polyhedrons on the capability of polyhedrons to change the reaction rate of H-D exchange (on the example of ethylene). It is shown that at temperature lower 400 deg C the rate of isotopic exchange reaction is low. Experimental results both for irradiated and non-irradiated minerals are presented. The conclusion is made that the increase of aluminosilicates activity under radiation is connected with the presence of (AlO 4 )-tetrahedrons in the system and change of their state. (AlO 5 ) and (AlO 6 )-polyhedrons are not activated with gamma rays

  11. H/D exchange mass spectrometry and statistical coupling analysis reveal a role for allostery in a ferredoxin-dependent bifurcating transhydrogenase catalytic cycle.

    Science.gov (United States)

    Berry, Luke; Poudel, Saroj; Tokmina-Lukaszewska, Monika; Colman, Daniel R; Nguyen, Diep M N; Schut, Gerrit J; Adams, Michael W W; Peters, John W; Boyd, Eric S; Bothner, Brian

    2018-01-01

    Recent investigations into ferredoxin-dependent transhydrogenases, a class of enzymes responsible for electron transport, have highlighted the biological importance of flavin-based electron bifurcation (FBEB). FBEB generates biomolecules with very low reduction potential by coupling the oxidation of an electron donor with intermediate potential to the reduction of high and low potential molecules. Bifurcating systems can generate biomolecules with very low reduction potentials, such as reduced ferredoxin (Fd), from species such as NADPH. Metabolic systems that use bifurcation are more efficient and confer a competitive advantage for the organisms that harbor them. Structural models are now available for two NADH-dependent ferredoxin-NADP + oxidoreductase (Nfn) complexes. These models, together with spectroscopic studies, have provided considerable insight into the catalytic process of FBEB. However, much about the mechanism and regulation of these multi-subunit proteins remains unclear. Using hydrogen/deuterium exchange mass spectrometry (HDX-MS) and statistical coupling analysis (SCA), we identified specific pathways of communication within the model FBEB system, Nfn from Pyrococus furiosus, under conditions at each step of the catalytic cycle. HDX-MS revealed evidence for allosteric coupling across protein subunits upon nucleotide and ferredoxin binding. SCA uncovered a network of co-evolving residues that can provide connectivity across the complex. Together, the HDX-MS and SCA data show that protein allostery occurs across the ensemble of iron‑sulfur cofactors and ligand binding sites using specific pathways that connect domains allowing them to function as dynamically coordinated units. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. The Deuterator: software for the determination of backbone amide deuterium levels from H/D exchange MS data

    Directory of Open Access Journals (Sweden)

    Tsinoremas NF

    2007-05-01

    Full Text Available Abstract Background The combination of mass spectrometry and solution phase amide hydrogen/deuterium exchange (H/D exchange experiments is an effective method for characterizing protein dynamics, and protein-protein or protein-ligand interactions. Despite methodological advancements and improvements in instrumentation and automation, data analysis and display remains a tedious process. The factors that contribute to this bottleneck are the large number of data points produced in a typical experiment, each requiring manual curation and validation, and then calculation of the level of backbone amide exchange. Tools have become available that address some of these issues, but lack sufficient integration, functionality, and accessibility required to address the needs of the H/D exchange community. To date there is no software for the analysis of H/D exchange data that comprehensively addresses these issues. Results We have developed an integrated software system for the automated analysis and representation of H/D exchange data that has been titled "The Deuterator". Novel approaches have been implemented that enable high throughput analysis, automated determination of deuterium incorporation, and deconvolution of overlapping peptides. This has been achieved by using methods involving iterative theoretical envelope fitting, and consideration of peak data within expected m/z ranges. Existing common file formats have been leveraged to allow compatibility with the output from the myriad of MS instrument platforms and peptide sequence database search engines. A web-based interface is used to integrate the components of The Deuterator that are able to analyze and present mass spectral data from instruments with varying resolving powers. The results, if necessary, can then be confirmed, adjusted, re-calculated and saved. Additional tools synchronize the curated calculation parameters with replicate time points, increasing throughput. Saved results can then

  13. Acetone and Water on TiO(110): H/D Exchange

    International Nuclear Information System (INIS)

    Henderson, Michael A.

    2005-01-01

    Isotopic H/D exchange between coadsorbed acetone and water on the TiO(110) surface was examined using temperature programmed desorption (TPD) as a function of coverage and two surface pretreatments (oxidation and reduction). Coadsorbed acetone and water interact repulsively on reduced TiO(110) based on results from the companion paper to this study, with water exerting a greater influence in destabilizing acetone and acetone having only a nominal influence on water. Despite the repulsive interaction between these coadsorbates, about 0.02 ML of a 1 ML d6-acetone on the reduced surface exhibits H/D exchange with coadsorbed water, with the exchange occurring exclusively in the high temperature region of the d?-acetone TPD spectrum at ∼340 K. The effect was confirmed with combinations of d?-acetone and D?O. The extent of exchange decreased on the reduced surface with water coverages above ∼0.3 ML due to the ability of water to displace coadsorbed acetone from first layer sites to the multilayer. In contrast, the extent of exchange increased by a factor of 3 when the surface was pre-oxidized prior to coadsorption. In this case, there was no evidence for the negative influence of high water coverages on the extent of H/D exchange. Comparison of the TPD spectra from the exchange products (either d?- or d?-acetone depending on the coadsorption pairing) suggests that, in addition to the 340 K exchange process seen on the reduced surface, a second exchange process was observed on the oxidized surface at ∼390 K. In both cases (oxidized and reduced), desorption of the H/D exchange products appeared to be reaction limited and to involve the influence of OH/OD groups (or water formed during recombinative desorption of OH/OD groups) instead of molecularly adsorbed water. The 340 K exchange process is assigned to reaction at step sites and the 390 K exchange process is attributed to the influence of oxygen adatoms deposited during surface oxidation. The H/D exchange

  14. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation.

    Science.gov (United States)

    Straus, Rita N; Jockusch, Rebecca A

    2017-02-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes. Graphical Abstract ᅟ.

  15. Liquid Chromatography Electrospray Ionization Tandem Mass Spectrometric (LC/ESI-MS/MS) Study for the Identification and Characterization of In Vivo Metabolites of Cisplatin in Rat Kidney Cancer Tissues: Online Hydrogen/Deuterium (H/D) Exchange Study.

    Science.gov (United States)

    Bandu, Raju; Ahn, Hyun Soo; Lee, Joon Won; Kim, Yong Woo; Choi, Seon Hee; Kim, Hak Jin; Kim, Kwang Pyo

    2015-01-01

    In vivo rat kidney tissue metabolites of an anticancer drug, cisplatin (cis-diamminedichloroplatinum [II]) (CP) which is used for the treatment of testicular, ovarian, bladder, cervical, esophageal, small cell lung, head and neck cancers, have been identified and characterized by using liquid chromatography positive ion electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) in combination with on line hydrogen/deuterium exchange (HDX) experiments. To identify in vivo metabolites, kidney tissues were collected after intravenous administration of CP to adult male Sprague-Dawley rats (n = 3 per group). The tissue samples were homogenized and extracted using newly optimized metabolite extraction procedure which involves liquid extraction with phosphate buffer containing ethyl acetate and protein precipitation with mixed solvents of methanol-water-chloroform followed by solid-phase clean-up procedure on Oasis HLB 3cc cartridges and then subjected to LC/ESI-HRMS analysis. A total of thirty one unknown in vivo metabolites have been identified and the structures of metabolites were elucidated using LC-MS/MS experiments combined with accurate mass measurements. Online HDX experiments have been used to further support the structural characterization of metabolites. The results showed that CP undergoes a series of ligand exchange biotransformation reactions with water and other nucleophiles like thio groups of methionine, cysteine, acetylcysteine, glutathione and thioether. This is the first research approach focused on the structure elucidation of biotransformation products of CP in rats, and the identification of metabolites provides essential information for further pharmacological and clinical studies of CP, and may also be useful to develop various effective new anticancer agents.

  16. Electronic structure tautomerism, and mechanism of H-D exchange in imidazole aqueous solutions

    International Nuclear Information System (INIS)

    Borisov, Yu.A.; Vorob'eva, N.P.; Abronin, I.A.; Kolomiets, A.F.

    1988-01-01

    The imidazole electronic structure in a gaseous phase is studied taking into account the influence of solvation effects in aqueous solutions. Possible mechanisms of tautomeric transformations and H-D exchange reactions with water molecules are discussed. Using the quantum chemistry methods, it is shown that the intramolecular mechanism of imidazole isomerization in the gaseous phase and the aqueous solution is unprofitable, and the intermolecular mechanism can proceed through the stage of protonated and carbene form formation

  17. Simple setup for gas-phase H/D exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale.

    Science.gov (United States)

    Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F; Rand, Kasper D

    2014-12-02

    Gas-phase hydrogen/deuterium exchange (HDX) is a fast and sensitive, yet unharnessed analytical approach for providing information on the structural properties of biomolecules, in a complementary manner to mass analysis. Here, we describe a simple setup for ND3-mediated millisecond gas-phase HDX inside a mass spectrometer immediately after ESI (gas-phase HDX-MS) and show utility for studying the primary and higher-order structure of peptides and proteins. HDX was achieved by passing N2-gas through a container filled with aqueous deuterated ammonia reagent (ND3/D2O) and admitting the saturated gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3/D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium uptake of Leu-Enkephalin and Glu-Fibrinopeptide B, confirmed that this gas-phase HDX-MS approach allows for labeling of sites (heteroatom-bound non-amide hydrogens located on side-chains, N-terminus and C-terminus) not accessed by classical solution-phase HDX-MS. The simple setup is compatible with liquid chromatography and a chip-based automated nanoESI interface, allowing for online gas-phase HDX-MS analysis of peptides and proteins separated on a liquid chromatographic time scale at increased throughput. Furthermore, online gas-phase HDX-MS could be performed in tandem with ion mobility separation or electron transfer dissociation, thus enabling multiple orthogonal analyses of the structural properties of peptides and proteins in a single automated LC-MS workflow.

  18. Kinetics of H-D exchange in olefins with complicating reactions

    International Nuclear Information System (INIS)

    Trokhimets, A.I.

    1979-01-01

    The kinetics of H-D-exchange is considered for olefins under conditions when simple and complicated exchange occur together with hydrogenation. If hydrogenation takes place in the system, it is theoretically impossible to derive the integrated rate equation for the accumulation of deuterium in the olefin. The variation of the concentration of different deuteroolefins during the process can be calculated numerically. A method is proposed for evaluating the contribution of individual steps to the overall process and determining the rate constants of the most important reactions. (author)

  19. Theory of the Protein Equilibrium Population Snapshot by H/D Exchange Electrospray Ionization Mass Spectrometry (PEPS-HDX-ESI-MS) Method used to obtain Protein Folding Energies/Rates and Selected Supporting Experimental Evidence.

    Science.gov (United States)

    Liyanage, Rohana; Devarapalli, Nagarjuna; Pyland, Derek B; Puckett, Latisha M; Phan, N H; Starch, Joel A; Okimoto, Mark R; Gidden, Jennifer; Stites, Wesley E; Lay, Jackson O

    2012-12-15

    Protein equilibrium snapshot by hydrogen/deuterium exchange electrospray ionization mass spectrometry (PEPS-HDX-ESI-MS or PEPS) is a method recently introduced for estimating protein folding energies and rates. Herein we describe the basis for this method using both theory and new experiments. Benchmark experiments were conducted using ubiquitin because of the availability of reference data for folding and unfolding rates from NMR studies. A second set of experiments was also conducted to illustrate the surprising resilience of the PEPS to changes in HDX time, using staphylococcal nuclease and time frames ranging from a few seconds to several minutes. Theory suggests that PEPS experiments should be conducted at relatively high denaturant concentrations, where the protein folding/unfolding rates are slow with respect to HDX and the life times of both the closed and open states are long enough to be sampled experimentally. Upon deliberate denaturation, changes in folding/unfolding are correlated with associated changes in the ESI-MS signal upon fast HDX. When experiments are done quickly, typically within a few seconds, ESI-MS signals, corresponding to the equilibrium population of the native (closed) and denatured (open) states can both be detected. The interior of folded proteins remains largely un-exchanged. Amongst MS methods, the simultaneous detection of both states in the spectrum is unique to PEPS and provides a "snapshot" of these populations. The associated ion intensities are used to estimate the protein folding equilibrium constant (or the free energy change, ΔG). Linear extrapolation method (LEM) plots of derived ΔG values for each denaturant concentration can then be used to calculate ΔG in the absence of denaturant, ΔG(H(2)O). In accordance with the requirement for detection of signals for both the folded and unfolded states, this theoretical framework predicts that PEPS experiments work best at the middle of the denaturation curve where natured

  20. Simple setup for gas-phase h/d exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale

    DEFF Research Database (Denmark)

    Mistarz, Ulrik Hvid; Brown, Jeffery M; Haselmann, Kim F

    2014-01-01

    gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3....../D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium...

  1. Analytical Description of the H/D Exchange Kinetic of Macromolecule.

    Science.gov (United States)

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

    2018-04-17

    We present the accurate analytical solution obtained for the system of rate equations describing the isotope exchange process for molecules containing an arbitrary number of equivalent labile atoms. The exact solution was obtained using Mathematica 7.0 software, and this solution has the form of the time-dependent Gaussian distribution. For the case when forward exchange considerably overlaps the back exchange, it is possible to estimate the activation energy of the reaction by obtaining a temperature dependence of the reaction degree. Using a previously developed approach for performing H/D exchange directly in the ESI source, we have estimated the activation energies for ions with different functional groups and they were found to be in a range 0.04-0.3 eV. Since the value of the activation energy depends on the type of functional group, the developed approach can have potential analytical applications for determining types of functional groups in complex mixtures, such as petroleum, humic substances, bio-oil, and so on.

  2. Conformations of cationized linear oligosaccharides revealed by FTMS combined with in-ESI H/D exchange.

    Science.gov (United States)

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

    2015-10-01

    Previously (Kostyukevich et al. Anal Chem 2014, 86, 2595), we have reported that oligosaccharides anions are produced in the electrospray in two different conformations, which differ by the rate of gas phase hydrogen/deuterium (H/D) exchange reaction. In the present paper, we apply the in-electrospray ionization (ESI) source H/D exchange approach for the investigation of the oligosaccharides cations formed by attaching of metal ions (Na, K) to the molecule. It was observed that the formation of different conformers can be manipulated by varying the temperature of the desolvating capillary of the ESI interphase. Separation of the conformers was performed using gas phase H/D approach. Because the conformers have different rates of the H/D exchange reaction, the deuterium distribution spectrum becomes bimodal. It was found that the conformation corresponding to the slow H/D exchange rate dominates in the spectrum when the capillary temperature is low (~200 °C), and the conformation corresponding to the fast H/D exchange rate dominates at high (~400 °C) temperatures. In the intermediate temperature region, two conformers are present simultaneously. It was also observed that large oligosaccharide requires higher temperature for the formation of another conformer. It was found that the presence of the conformers considerably depends on the solvent used for ESI and the pH. We have compared these results with the previously performed in-ESI source H/D exchange experiments with peptides and proteins. Copyright © 2015 John Wiley & Sons, Ltd.

  3. Atmospheric pressure photo ionization hydrogen/deuterium exchange mass spectrometry--a method to differentiate isomers by mass spectrometry.

    Science.gov (United States)

    Ahmed, Arif; Kim, Sunghwan

    2013-12-01

    In this report, a method for in-source hydrogen/deuterium (H/D) exchange at atmospheric pressure is reported. The method was named atmospheric pressure photo ionization hydrogen/deuterium exchange mass spectrometry (APPI HDX MS). H/D exchange was performed by mixing samples dissolved in toluene with CH3OD solvent and analyzing the mixture using atmospheric pressure photo ionization mass spectrometry (APPI-MS). The APPI HDX spectra obtained with contact times between the analyte solution and methanol-OD (CH3OD) of atmospheric pressure. H/D exchange can be performed in any laboratory with a mass spectrometer and a commercial APPI source. Using this method, multiple H/D exchanges of aromatic hydrogen and/or H/D exchange of active hydrogen were observed. These results demonstrated that H/D exchange can be used to distinguish between isomers containing primary, secondary, and tertiary amines, as well as pyridine and pyrrole functional groups.

  4. Arene-mercury complexes stabilized by gallium chloride: relative rates of H/D and arene exchange.

    Science.gov (United States)

    Branch, Catherine S; Barron, Andrew R

    2002-11-27

    We have previously proposed that the Hg(arene)(2)(GaCl(4))(2) catalyzed H/D exchange reaction of C(6)D(6) with arenes occurs via an electrophilic aromatic substitution reaction in which the coordinated arene protonates the C(6)D(6). To investigate this mechanism, the kinetics of the Hg(C(6)H(5)Me)(2)(GaCl(4))(2) catalyzed H/D exchange reaction of C(6)D(6) with naphthalene has been studied. Separate second-order rate constants were determined for the 1- and 2-positions on naphthalene; that is, the initial rate of H/D exchange = k(1i)[Hg][C-H(1)] + k(2i)[Hg][C-H(2)]. The ratio of k(1i)/k(2i) ranges from 11 to 2.5 over the temperature range studied, commensurate with the proposed electrophilic aromatic substitution reaction. Observation of the reactions over an extended time period shows that the rates change with time, until they again reach a new and constant second-order kinetics regime. The overall form of the rate equation is unchanged: final rate = k(1f)[Hg][C-H(1)] + k(2f)[Hg][C-H(2)]. This change in the H/D exchange is accompanied by ligand exchange between Hg(C(6)D(6))(2)(GaCl(4))(2) and naphthalene to give Hg(C(10)H(8))(2)(GaCl(4))(2,) that has been characterized by (13)C CPMAS NMR and UV-visible spectroscopy. The activation parameters for the ligand exchange may be determined and are indicative of a dissociative reaction and are consistent with our previously calculated bond dissociation for Hg(C(6)H(6))(2)(AlCl(4))(2). The initial Hg(arene)(2)(GaCl(4))(2) catalyzed reaction of naphthalene with C(6)D(6) involves the deuteration of naphthalene by coordinated C(6)D(6); however, as ligand exchange progresses, the pathway for H/D exchange changes to where the protonation of C(6)D(6) by coordinated naphthalene dominates. The site selectivity for the H/D exchange is initially due to the electrophilic aromatic substitution of naphthalene. As ligand exchange occurs, this selectivity is controlled by the activation of the naphthalene C-H bonds by mercury.

  5. HDX Workbench: Software for the Analysis of H/D Exchange MS Data

    Science.gov (United States)

    Pascal, Bruce D.; Willis, Scooter; Lauer, Janelle L.; Landgraf, Rachelle R.; West, Graham M.; Marciano, David; Novick, Scott; Goswami, Devrishi; Chalmers, Michael J.; Griffin, Patrick R.

    2012-09-01

    Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is an established method for the interrogation of protein conformation and dynamics. While the data analysis challenge of HDX-MS has been addressed by a number of software packages, new computational tools are needed to keep pace with the improved methods and throughput of this technique. To address these needs, we report an integrated desktop program titled HDX Workbench, which facilitates automation, management, visualization, and statistical cross-comparison of large HDX data sets. Using the software, validated data analysis can be achieved at the rate of generation. The application is available at the project home page http://hdx.florida.scripps.edu.

  6. Hydrogen/deuterium exchange in mass spectrometry.

    Science.gov (United States)

    Kostyukevich, Yury; Acter, Thamina; Zherebker, Alexander; Ahmed, Arif; Kim, Sunghwan; Nikolaev, Eugene

    2018-03-30

    The isotopic exchange approach is in use since the first observation of such reactions in 1933 by Lewis. This approach allows the investigation of the pathways of chemical and biochemical reactions, determination of structure, composition, and conformation of molecules. Mass spectrometry has now become one of the most important analytical tools for the monitoring of the isotopic exchange reactions. Investigation of conformational dynamics of proteins, quantitative measurements, obtaining chemical, and structural information about individual compounds of the complex natural mixtures are mainly based on the use of isotope exchange in combination with high resolution mass spectrometry. The most important reaction is the Hydrogen/Deuterium exchange, which is mainly performed in the solution. Recently we have developed the approach allowing performing of the Hydrogen/Deuterium reaction on-line directly in the ionization source under atmospheric pressure. Such approach simplifies the sample preparation and can accelerate the exchange reaction so that certain hydrogens that are considered as non-labile will also participate in the exchange. The use of in-ionization source H/D exchange in modern mass spectrometry for structural elucidation of molecules serves as the basic theme in this review. We will focus on the mechanisms of the isotopic exchange reactions and on the application of in-ESI, in-APCI, and in-APPI source Hydrogen/Deuterium exchange for the investigation of petroleum, natural organic matter, oligosaccharides, and proteins including protein-protein complexes. The simple scenario for adaptation of H/D exchange reactions into mass spectrometric method is also highlighted along with a couple of examples collected from previous studies. © 2018 Wiley Periodicals, Inc.

  7. Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation

    Directory of Open Access Journals (Sweden)

    N. Vaeck

    2002-03-01

    Full Text Available We report the application of the quantum approach, which takes full account of electron translation at low collisional energies, to the charge exchange process H, D + C4+ → H+, D+ + C3+(3s; 3p; 3d. The partial and the total integral cross sections of the process are calculated in the energy range from 1 till 60 eV/amu. It is shown that the present results are independent from the upper integration limit for numerical solution of the coupled channel equations although nonadiabatic couplings remain nonzero up to infinity. The calculated partial and total cross sections are in agreement with the previous low-energy calculations and the available experimental data. It is shown that for low collisional energies the isotopic effect takes place. The observed effect is explained in terms of the nonadiabatic dynamics.

  8. Hydrogen Exchange Mass Spectrometry

    Science.gov (United States)

    Mayne, Leland

    2018-01-01

    Hydrogen exchange (HX) methods can reveal much about the structure, energetics, and dynamics of proteins. The addition of mass spectrometry (MS) to an earlier fragmentation-separation HX analysis now extends HX studies to larger proteins at high structural resolution and can provide information not available before. This chapter discusses experimental aspects of HX labeling, especially with respect to the use of MS and the analysis of MS data. PMID:26791986

  9. Strong Metal Support Interaction of Pt and Ru Nanoparticles Deposited on HOPG Probed by the H-D Exchange Reaction

    DEFF Research Database (Denmark)

    Fiordaliso, Elisabetta M.; Dahl, Søren; Chorkendorff, Ib

    2012-01-01

    The interaction between metals and support is investigated in the case of 50 Å Pt and 50 Å Ru films deposited on a HOPG substrate. The films are prepared by electron beam physical vapor deposition and annealed in UHV to temperatures up to 700 °C. The equilibrium hydrogen exchange rate between...... adsorbed and gas phase at 1 bar is measured before and after annealing. The rate is measured in the temperature range of 40–200 °C at 1 bar, by utilization of the H-D exchange reaction. Experiments are performed on fresh cleaved and sputtered HOPG, which give similar results. We find that annealing...... the films from 150 up to 700 °C increases the amount of carbon present in the films up to 95%, as derived by surface analysis, indicating the formation of a carbon layer on top of the metal films. The exchange rate decreases dramatically with increasing carbon content on the films for both metals, pointing...

  10. Effect of buffer general acid-base catalysis on the stereoselectivity of ester and thioester H/D exchange in D2O.

    Science.gov (United States)

    Mohrig, Jerry R; Reiter, Nicholas J; Kirk, Randy; Zawadski, Michelle R; Lamarre-Vincent, Nathan

    2011-04-06

    As part of a comprehensive investigation on the stereochemistry of base-catalyzed 1,2-elimination and H/D exchange reactions of carbonyl compounds, we have found that the stereoselectivity of H/D exchange of 3-hydroxybutyryl N-acetylcysteamine (3) in D(2)O is strongly influenced by the presence of buffers. This buffer effect is also operative with a simple acyclic ester, ethyl 3-methoxybutanoate (7). Buffers whose general-acid components are cyclic tertiary ammonium ions are particularly effective in changing the stereoselectivity. (2)H NMR analysis showed that without buffer, H/D exchange of 3 produces 81-82% of the 2R*, 3R* diastereomer of 2-deuterio 3 (the anti product). In the presence of 0.33 M 3-quinuclidinone buffer, only 44% of the 2R*, 3R* diastereomer was formed. With ester 7, the stereoselectivity went from 93-94% in DO(-)/D(2)O to 60% in the presence of buffer. Phosphate buffer, as well as others, also showed substantial effects. The results are put into the context of what is known about the mechanism of H/D exchange of esters and thioesters, and the relevance of the buffer effect on the mechanism of the enoyl-CoA hydratase reaction is discussed. It is likely that hydrogen bonding in the enolate-buffer acid encounter complex is an important stereochemical determinant in producing a greater amount of the 2R*, 3S* diastereomer (the syn product). Studies that involve the protonation of enolate anions in D(2)O need to include the buffer general acid in any understanding of the stereoselectivity. © 2011 American Chemical Society

  11. Hydra: software for tailored processing of H/D exchange data from MS or tandem MS analyses

    Directory of Open Access Journals (Sweden)

    Bennett Melissa

    2009-05-01

    Full Text Available Abstract Background Hydrogen/deuterium exchange mass spectrometry (H/DX-MS experiments implemented to characterize protein interaction and protein folding generate large quantities of data. Organizing, processing and visualizing data requires an automated solution, particularly when accommodating new tandem mass spectrometry modes for H/DX measurement. We sought to develop software that offers flexibility in defining workflows so as to support exploratory treatments of H/DX-MS data, with a particular focus on the analysis of very large protein systems and the mining of tandem mass spectrometry data. Results We present a software package ("Hydra" that supports both traditional and exploratory treatments of H/DX-MS data. Hydra's software architecture tolerates flexible data analysis procedures by allowing the addition of new algorithms without significant change to the underlying code base. Convenient user interfaces ease the organization of raw data files and input of peptide data. After executing a user-defined workflow, extracted deuterium incorporation values can be visualized in tabular and graphical formats. Hydra also automates the extraction and visualization of deuterium distribution values. Manual validation and assessment of results is aided by an interface that aligns extracted ion chromatograms and mass spectra, while providing a means of rapidly reprocessing the data following manual adjustment. A unique feature of Hydra is the automated processing of tandem mass spectrometry data, demonstrated on a large test data set in which 40,000 deuterium incorporation values were extracted from replicate analysis of approximately 1000 fragment ions in one hour using a typical PC. Conclusion The customizable workflows and user-friendly interfaces of Hydra removes a significant bottleneck in processing and visualizing H/DX-MS data and helps the researcher spend more time executing new experiments and interpreting results. This increased

  12. Use of the neutron diffraction - H/D exchange technique to determine the conformational dynamics of trypsin

    International Nuclear Information System (INIS)

    Kossiakoff, A.A.

    1982-01-01

    Reported here are studies analyzing the extent and nature of the inherent conformational fluctuations in trypsin by neutron diffraction - hydrogen exchange techniques. The pattern of exchange investigates systematic relationships between exchangeable sites and the structural and chemical properties of the molecule. Our findings that pH 7, 20 0 and 1 year of soaking all sites of trypsin are fully exchanged except those which are especially well protected by the structure. Essentially all the sites in which the peptide hydrogens are bonded directly to water molecules - either in the bulk solvent regions or in interior clusters - are fully exchanged. 41 references, 10 figures

  13. H/D exchange in the reaction of D2 with Bis(triphenyl phosphite)(acetylacetonato)rhodium(I), Rh(P(OPh)3)2(acac)

    International Nuclear Information System (INIS)

    Whitmore, B.C.; Eisenberg, R.

    1984-01-01

    The reaction of Rh(P)OPh) 3 ) 2 (acac) (1) with D 2 benzene has been studied by 1 H NMR spectroscopy, and complex 1 has been found to undergo H/D exchange at the ortho positions of the coordinated phosphite ligands and at the central methine position of the acetylacetonate ligand. At 75 0 C, the exchange reaction proceeds with the extent of deuterium incorporation into P(OPh) 3 being the same as that into acac at all stages of the H/D exchange process. At 60 0 C, deuterium incorporation into P(OPh) 3 is initially more rapid than that into the acac ligand. The initial rate of deuterium incorporation into P(OPh) 3 by 1 in benzene-d 6 under D 2 at 60 0 C proceeds with a first-order rate constant of 9.6 x 10 -5 s -1 . A mechanism for this exchange process is proposed. 13 references, 3 figures, 2 tables

  14. Online Simultaneous Hydrogen/Deuterium Exchange of Multitarget Gas-Phase Molecules by Electrospray Ionization Mass Spectrometry Coupled with Gas Chromatography.

    Science.gov (United States)

    Jeong, Eun Sook; Cha, Eunju; Cha, Sangwon; Kim, Sunghwan; Oh, Han Bin; Kwon, Oh-Seung; Lee, Jaeick

    2017-11-21

    In this study, a hydrogen/deuterium (H/D) exchange method using gas chromatography-electrospray ionization/mass spectrometry (GC-ESI/MS) was first investigated as a novel tool for online H/D exchange of multitarget analytes. The GC and ESI source were combined with a homemade heated column transfer line. GC-ESI/MS-based H/D exchange occurs in an atmospheric pressure ion source as a result of reacting the gas-phase analyte eluted from GC with charged droplets of deuterium oxide infused as the ESI spray solvent. The consumption of the deuterated solvent at a flow rate of 2 μL min -1 was more economical than that in online H/D exchange methods reported to date. In-ESI-source H/D exchange by GC-ESI/MS was applied to 11 stimulants with secondary amino or hydroxyl groups. After H/D exchange, the spectra of the stimulants showed unexchanged, partially exchanged, and fully exchanged ions showing various degrees of exchange. The relative abundances corrected for naturally occurring isotopes of the fully exchanged ions of stimulants, except for etamivan, were in the range 24.3-85.5%. Methylephedrine and cyclazodone showed low H/D exchange efficiency under acidic, neutral, and basic spray solvent conditions and nonexchange for etamivan with an acidic phenolic OH group. The in-ESI-source H/D exchange efficiency by GC-ESI/MS was sufficient to determine the number of hydrogen by elucidation of fragmentation from the spectrum. Therefore, this online H/D exchange technique using GC-ESI/MS has potential as an alternative method for simultaneous H/D exchange of multitarget analytes.

  15. Probing peptide fragment ion structures by combining sustained off-resonance collision-induced dissociation and gas-phase H/D exchange (SORI-HDX) in Fourier transform ion-cyclotron resonance (FT-ICR) instruments.

    Science.gov (United States)

    Somogyi, Arpád

    2008-12-01

    The usefulness of gas-phase H/D exchange is demonstrated to probe heterogeneous fragment and parent ion populations. Singly and multiply protonated peptides/proteins were fragmented by using sustained off-resonance irradiation collision-induced dissociation (SORI-CID). The fragments and the surviving precursor ions then all undergo H/D exchange in the gas-phase with either D(2)O or CD(3)OD under the same experimental conditions. Usually, 10 to 60 s of reaction time is adequate to monitor characteristic differences in the H/D exchange kinetic rates. These differences are then correlated to isomeric ion structures. The SORI-HDX method can be used to rapidly test fragment ion structures and provides useful insights into peptide fragmentation mechanisms.

  16. Conjugate heat and mass transfer in heat mass exchanger ducts

    CERN Document Server

    Zhang, Li-Zhi

    2013-01-01

    Conjugate Heat and Mass Transfer in Heat Mass Exchanger Ducts bridges the gap between fundamentals and recent discoveries, making it a valuable tool for anyone looking to expand their knowledge of heat exchangers. The first book on the market to cover conjugate heat and mass transfer in heat exchangers, author Li-Zhi Zhang goes beyond the basics to cover recent advancements in equipment for energy use and environmental control (such as heat and moisture recovery ventilators, hollow fiber membrane modules for humidification/dehumidification, membrane modules for air purification, desi

  17. Evidence for Sequence Scrambling and Divergent H/D Exchange Reactions of Doubly-Charged Isobaric b-Type Fragment Ions

    Science.gov (United States)

    Zekavat, Behrooz; Miladi, Mahsan; Al-Fdeilat, Abdullah H.; Somogyi, Arpad; Solouki, Touradj

    2014-02-01

    To date, only a limited number of reports are available on structural variants of multiply-charged b-fragment ions. We report on observed bimodal gas-phase hydrogen/deuterium exchange (HDX) reaction kinetics and patterns for substance P b10 2+ that point to presence of isomeric structures. We also compare HDX reactions, post-ion mobility/collision-induced dissociation (post-IM/CID), and sustained off-resonance irradiation-collision induced dissociation (SORI-CID) of substance P b10 2+ and a cyclic peptide with an identical amino acid (AA) sequence order to substance P b10. The observed HDX patterns and reaction kinetics and SORI-CID pattern for the doubly charged head-to-tail cyclized peptide were different from either of the presumed isomers of substance P b10 2+, suggesting that b10 2+ may not exist exclusively as a head-to-tail cyclized structure. Ultra-high mass measurement accuracy was used to assign identities of the observed SORI-CID fragment ions of substance P b10 2+; over 30 % of the observed SORI-CID fragment ions from substance P b10 2+ had rearranged (scrambled) AA sequences. Moreover, post-IM/CID experiments revealed the presence of two conformer types for substance P b10 2+, whereas only one conformer type was observed for the head-to-tail cyclized peptide. We also show that AA sequence scrambling from CID of doubly-charged b-fragment ions is not unique to substance P b10 2+.

  18. Evidence for sequence scrambling and divergent H/D exchange reactions of doubly-charged isobaric b-type fragment ions.

    Science.gov (United States)

    Zekavat, Behrooz; Miladi, Mahsan; Al-Fdeilat, Abdullah H; Somogyi, Arpad; Solouki, Touradj

    2014-02-01

    To date, only a limited number of reports are available on structural variants of multiply-charged b-fragment ions. We report on observed bimodal gas-phase hydrogen/deuterium exchange (HDX) reaction kinetics and patterns for substance P b10(2+) that point to presence of isomeric structures. We also compare HDX reactions, post-ion mobility/collision-induced dissociation (post-IM/CID), and sustained off-resonance irradiation-collision induced dissociation (SORI-CID) of substance P b10(2+) and a cyclic peptide with an identical amino acid (AA) sequence order to substance P b10. The observed HDX patterns and reaction kinetics and SORI-CID pattern for the doubly charged head-to-tail cyclized peptide were different from either of the presumed isomers of substance P b10(2+), suggesting that b10(2+) may not exist exclusively as a head-to-tail cyclized structure. Ultra-high mass measurement accuracy was used to assign identities of the observed SORI-CID fragment ions of substance P b10(2+); over 30% of the observed SORI-CID fragment ions from substance P b10(2+) had rearranged (scrambled) AA sequences. Moreover, post-IM/CID experiments revealed the presence of two conformer types for substance P b10(2+), whereas only one conformer type was observed for the head-to-tail cyclized peptide. We also show that AA sequence scrambling from CID of doubly-charged b-fragment ions is not unique to substance P b10(2+).

  19. Microchannel laminated mass exchanger and method of making

    Science.gov (United States)

    Martin, Peter M.; Bennett, Wendy D.; Matson, Dean W.; Stewart, Donald C.; Drost, Monte K.; Wegeng, Robert S.; Perez, Joseph M.; Feng, Xiangdong; Liu, Jun

    2000-01-01

    The present invention is a microchannel mass exchanger having a first plurality of inner thin sheets and a second plurality of outer thin sheets. The inner thin sheets each have a solid margin around a circumference, the solid margin defining a slot through the inner thin sheet thickness. The outer thin sheets each have at least two header holes on opposite ends and when sandwiching an inner thin sheet. The outer thin sheets further have a mass exchange medium. The assembly forms a closed flow channel assembly wherein fluid enters through one of the header holes into the slot and exits through another of the header holes after contacting the mass exchange medium.

  20. CYLINDER OF THE DISPOSABLE MASS EXCHANGE DEVICE FOR HEMOSORPTION

    Directory of Open Access Journals (Sweden)

    F. I. Kazakov

    2015-01-01

    Full Text Available BACKGROUND. Hemocarboperfusion, previously widely used in our country, can universally pass out of use due to the lack of industrial production of disposable mass exchange devices.MATERIAl AND METHODS. Physicochemical properties of materials and design features of the body samples elements of various sizes have been studied.RESULTS. The elements and materials properties of the hemosorption mass exchanger cylinder have been studied. Hydrodynamic parameters of manipulation using the developed cylinders at different perfusion rates have been studied in bench experiments.CONCLUSION. The original cylinder of the disposable mass exchange device for hemosorption, which meets the current clinical needs, has been developed. 

  1. H/D isotope effects in high temperature proton conductors

    DEFF Research Database (Denmark)

    Bonanos, Nikolaos; Huijser, A.; Poulsen, Finn Willy

    2015-01-01

    The atomic mass ratio of ca. 2 between deuterium and hydrogen is the highest for any pair of stable isotopes and results in significant and measurable H/D isotope effects in high temperature proton conductors containing these species. This paper discusses H/D isotope effects manifested in O-H/O-D...

  2. Hydraulic Validation of the LHC Cold Mass Heat Exchanger Tube

    CERN Document Server

    Provenaz, P

    1998-01-01

    The knowledge of the helium mass flow vs. the fraction of the tube wetted by the liquid helium II in the heat exchanger is a crucial input parameter for the heat exchange since the heat flux is direct ly proportional to the wetted surface. In the range of liquid and gas velocities inside the heat exchanger, the liquid flow behaves like in an open channel. Looking at the flow equations for such a s ituation, the velocity depends on the fluid properties only by the friction factor which is a function of the Reynolds number. Thus it was decided to build an experiment with water in order to check t he open channel equations in the heat exchanger geometry. This paper shows the results for water and gives the extrapolation for helium.

  3. Radiocarbon detection by ion charge exchange mass spectrometry

    International Nuclear Information System (INIS)

    Hotchkis, Michael; Wei, Tao

    2007-01-01

    A method for detection of radiocarbon at low levels is described and the results of tests are presented. We refer to this method as ion charge exchange mass spectrometry (ICE-MS). The ICE-MS instrument is a two stage mass spectrometer. In the first stage, molecular interferences which would otherwise affect radiocarbon detection at mass 14 are eliminated by producing high charge state ions directly in the ion source (charge state ≥2). 14 N interference is eliminated in the second stage by converting the beam to negative ions in a charge exchange cell. The beam is mass-analysed at each stage. We have built a test apparatus consisting of an electron cyclotron resonance ion source and a pair of analysing magnets with a charge exchange cell in between, followed by an electrostatic analyser to improve the signal to background ratio. With this apparatus we have measured charge exchange probabilities for (C n+ → C - ) from 4.5 to 40.5 keV (n = 1-3). We have studied the sources of background including assessment of limits for nitrogen interference by searching for negative ions from charge exchange of 14 N ions. Our system has been used to detect 14 C in enriched samples of CO 2 gas with 14 C/ 12 C isotopic ratio down to the 10 -9 level. Combined with a measured sample consumption rate of 4 ng/s, this corresponds to a capability to detect transient signals containing only a few μBq of 14 C activity, such as may be obtained from chromatographic separation. The method will require further development to match the sensitivity of AMS with a gas ion source; however, even in its present state its sensitivity is well suited to tracer studies in biomedical research and drug development

  4. Empirical Correction for Differences in Chemical Exchange Rates in Hydrogen Exchange-Mass Spectrometry Measurements.

    Science.gov (United States)

    Toth, Ronald T; Mills, Brittney J; Joshi, Sangeeta B; Esfandiary, Reza; Bishop, Steven M; Middaugh, C Russell; Volkin, David B; Weis, David D

    2017-09-05

    A barrier to the use of hydrogen exchange-mass spectrometry (HX-MS) in many contexts, especially analytical characterization of various protein therapeutic candidates, is that differences in temperature, pH, ionic strength, buffering agent, or other additives can alter chemical exchange rates, making HX data gathered under differing solution conditions difficult to compare. Here, we present data demonstrating that HX chemical exchange rates can be substantially altered not only by the well-established variables of temperature and pH but also by additives including arginine, guanidine, methionine, and thiocyanate. To compensate for these additive effects, we have developed an empirical method to correct the hydrogen-exchange data for these differences. First, differences in chemical exchange rates are measured by use of an unstructured reporter peptide, YPI. An empirical chemical exchange correction factor, determined by use of the HX data from the reporter peptide, is then applied to the HX measurements obtained from a protein of interest under different solution conditions. We demonstrate that the correction is experimentally sound through simulation and in a proof-of-concept experiment using unstructured peptides under slow-exchange conditions (pD 4.5 at ambient temperature). To illustrate its utility, we applied the correction to HX-MS excipient screening data collected for a pharmaceutically relevant IgG4 mAb being characterized to determine the effects of different formulations on backbone dynamics.

  5. Minimizing Back Exchange in the Hydrogen Exchange-Mass Spectrometry Experiment

    Science.gov (United States)

    Walters, Benjamin T.; Ricciuti, Alec; Mayne, Leland; Englander, S. Walter

    2012-12-01

    The addition of mass spectrometry (MS) analysis to the hydrogen exchange (HX) proteolytic fragmentation experiment extends powerful HX methodology to the study of large biologically important proteins. A persistent problem is the degradation of HX information due to back exchange of deuterium label during the fragmentation-separation process needed to prepare samples for MS measurement. This paper reports a systematic analysis of the factors that influence back exchange (solution pH, ionic strength, desolvation temperature, LC column interaction, flow rates, system volume). The many peptides exhibit a range of back exchange due to intrinsic amino acid HX rate differences. Accordingly, large back exchange leads to large variability in D-recovery from one residue to another as well as one peptide to another that cannot be corrected for by reference to any single peptide-level measurement. The usual effort to limit back exchange by limiting LC time provides little gain. Shortening the LC elution gradient by 3-fold only reduced back exchange by ~2 %, while sacrificing S/N and peptide count. An unexpected dependence of back exchange on ionic strength as well as pH suggests a strategy in which solution conditions are changed during sample preparation. Higher salt should be used in the first stage of sample preparation (proteolysis and trapping) and lower salt (<20 mM) and pH in the second stage before electrospray injection. Adjustment of these and other factors together with recent advances in peptide fragment detection yields hundreds of peptide fragments with D-label recovery of 90 % ± 5 %.

  6. Minimizing back exchange in the hydrogen exchange-mass spectrometry experiment.

    Science.gov (United States)

    Walters, Benjamin T; Ricciuti, Alec; Mayne, Leland; Englander, S Walter

    2012-12-01

    The addition of mass spectrometry (MS) analysis to the hydrogen exchange (HX) proteolytic fragmentation experiment extends powerful HX methodology to the study of large biologically important proteins. A persistent problem is the degradation of HX information due to back exchange of deuterium label during the fragmentation-separation process needed to prepare samples for MS measurement. This paper reports a systematic analysis of the factors that influence back exchange (solution pH, ionic strength, desolvation temperature, LC column interaction, flow rates, system volume). The many peptides exhibit a range of back exchange due to intrinsic amino acid HX rate differences. Accordingly, large back exchange leads to large variability in D-recovery from one residue to another as well as one peptide to another that cannot be corrected for by reference to any single peptide-level measurement. The usual effort to limit back exchange by limiting LC time provides little gain. Shortening the LC elution gradient by 3-fold only reduced back exchange by ~2%, while sacrificing S/N and peptide count. An unexpected dependence of back exchange on ionic strength as well as pH suggests a strategy in which solution conditions are changed during sample preparation. Higher salt should be used in the first stage of sample preparation (proteolysis and trapping) and lower salt (<20 mM) and pH in the second stage before electrospray injection. Adjustment of these and other factors together with recent advances in peptide fragment detection yields hundreds of peptide fragments with D-label recovery of 90% ± 5%.

  7. Conformational analysis of large and highly disulfide-stabilized proteins by integrating online electrochemical reduction into an optimized H/D exchange mass spectrometry workflow

    DEFF Research Database (Denmark)

    Trabjerg, Esben; Jakobsen, Rasmus Uffe; Mysling, Simon

    2015-01-01

    Analysis of disulfide-bonded proteins by HDX-MS requires effective and rapid reduction of disulfide bonds before enzymatic digestion in order to increase sequence coverage. In a conventional HDX-MS workflow, disulfide bonds are reduced chemically by addition of a reducing agent to the quench......-antibody, respectively. The presented results demonstrate the successful electrochemical reduction during HDX-MS analysis of both a small exceptional tightly disulfide-bonded protein (NGF) as well as the largest protein attempted to date (IgG1-antibody). We envision that online electrochemical reduction...... the electrochemical reduction efficiency during HDX-MS analysis of two particularly challenging disulfide stabilized proteins: a therapeutic IgG1-antibody and Nerve Growth Factor-β (NGF). Several different parameters (flow rate, applied square wave potential as well as the type of labeling- and quench buffer) were...

  8. Mass-independent isotope effects in chemical exchange reaction

    International Nuclear Information System (INIS)

    Nishizawa, Kazushige

    2000-01-01

    Isotope effects of some elements in chemical exchange reaction were investigated by use of liquid-liquid extraction, liquid membrane or chromatographic separation. Cyclic polyether was used for every method. All polyethers used in a series of the studies were made clear that they distinguished the isotopes not only by their nuclear masses but also by their nuclear sizes and shapes. Chromium isotopes, for example, were recognized to have enrichment factors being proportional to δ 2 > which is a parameter to show field shift or the nuclear size and shape of the isotope. It follows that the chromium isotopes are separated not by their masses but by their field shift effects. Nuclear spin also played a great role to separate odd mass number isotopes from even mass number isotopes in even atomic number elements. Contribution of the nuclear spin (I=3/2) of 53 Cr to total enrichment factor, ε 53/52 = -0.00028, for 53 Cr to 52 Cr was observed to be, ε spin = -0.0025. (author)

  9. Study of the mass and energy resolution of the E parallel B charge exchange analyzer for TFTR

    International Nuclear Information System (INIS)

    Kaita, R.; Medley, S.S.

    1979-09-01

    The charge exchange diagnostic for TFTR requires simultaneous multispecie (H + , D + , γ + ) analysis of particles in the energy range of 0.5 - 150 keV. The analyzer design chosen to provide this capability employs a wide gap semi-circular region of superimposed parallel electric and magnetic fields to accomplish mass and energy resolution, respectively. Combined with a large area, multi-anode microchannel plate detector, this arrangement will enable the energy distributions of protons, deuterions, and tritons to be measured concurrently as a function of time during each discharge. A computer simulation program for calculating ion trajectories through the analyzer was written that includes a realistic model of the magnetic and electrostatic fringe fields. This report presents the results of a study of the proposed E parallel B analyzer, and it reveals that the fringe fields are not detrimental to the performance of the analyzer

  10. Modeling of the Process of Three-Isotope (H, D, T) Exchange Between Hydrogen Gas and Water Vapour on Pt-SDBC Catalyst over a Wide Range of Deuterium Concentration

    International Nuclear Information System (INIS)

    Fedorchenko, O.A.; Alekseev, I.A.; Tchijov, A.S.; Uborsky, V.V.

    2005-01-01

    The large scale studies of Combined Electrolysis and Catalytic Exchange (CECE) process in Petersburg Nuclear Physics Institute showed a complicated influence of various factors on the process caused by the presence of two simultaneous isotope exchange sub processes: counter-current phase exchange (between liquid water and water vapour) and co-current catalytic exchange (between hydrogen gas and water vapour). A laboratory scale set-up of glass made apparatuses was established in such a way that it allows us to study phase and catalytic exchange apart. A computer model of the set-up has been developed.The catalytic isotope exchange model formulation is presented. A collection of reversible chemical reactions is accompanied by diffusion of the gaseous reactants and reaction products in the pores of catalyst carrier. This has some interesting features that are demonstrated. Thus it was noted that the flow rates ratio (gas to vapour - λ = G/V) as well as the concentrations of reactants exert influence on the process efficiency

  11. Ceramics and M.H.D

    International Nuclear Information System (INIS)

    Yvars, M.

    1979-10-01

    The materials considered for the insulating walls of a M.H.D. converter are Al 2 O 3 , and the calcium or strontium zirconates. For the conducting walls electricity conducting oxides are being considered such as ZrO 2 or CrO 3 La essentially. The principle of M.H.D. systems is recalled, the materials considered are described as is their behaviour in the corrosive atmospheres of M.H.D. streams [fr

  12. The labeling of unsaturated gamma-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C-H bond activation vs reduction by boro-deuterides/tritides

    Czech Academy of Sciences Publication Activity Database

    Marek, Aleš; Pedersen, M. H. F.; Vogensen, S. B.; Clausen, R. P.; Frolund, B.; Elbert, Tomáš

    2016-01-01

    Roč. 59, č. 12 (2016), s. 476-483 ISSN 0362-4803 Institutional support: RVO:61388963 Keywords : C-H activation * borotritides * hydrogen/deuterium exchange * iridium catalyst * tritium-labeled gamma-hydroxybutyric acid Subject RIV: CC - Organic Chemistry Impact factor: 1.745, year: 2016

  13. Evaluation of the efficiency of Pd/H2 -catalyzed benzylic H/D exchange of dehydroabietinal with D(2) O and synthesis of a tritium-labeled analogue.

    Science.gov (United States)

    Petros, Robby A; Shah, Jyoti

    2014-01-01

    Dehydroabietinal (DA) has been identified as an important signaling molecule in systemic acquired resistance in plants. Deuterium and tritium-labeled DA were synthesized to confirm its role in signaling and to further elucidate the mechanism by which DA induces systemic acquired resistance. Pd/H2 -catalyzed exchange of benzylic hydrogen atoms of DA with (2) H-H2 O or (3) H-H2 O was conducted with >97% label incorporation for (2) H-DA and a specific activity of 12.6 mCi/mmol for (3) H-DA synthesized from 90 mCi/mmol (3) H-H2 O. The extent of deuterium labeling at each benzylic position was determined via an inverse-gated (13) C NMR experiment. C7 and C15 were 87% and 81% labeled, respectively. Isotope-induced chemical shift changes at C6 were used to approximate the amount of singly (66%) and doubly (17%) labeled (2) H-DA at C7. Results also indicated that two of the three benzylic protons in DA underwent facile exchange. Exchange at the remaining position was likely hampered by steric interactions of nearby methyl groups at the surface of the Pd catalyst. Copyright © 2013 John Wiley & Sons, Ltd.

  14. H-D exchange in metal carbene complexes: Structure of cluster (μ-H)(μ-OCD3)Os3(CO)9{:C(CD3)NC2H8O}

    Science.gov (United States)

    Savkov, Boris; Maksakov, Vladimir; Kuratieva, Natalia

    2015-10-01

    X-ray and spectroscopic data for the new complex (μ-H)(μ-OCH3)Os3(CO)9{:C(CD3)NC2H8O} (2) obtained in the reaction of the (μ-H)(μ-Cl)Os3(CO)9{:C(CH3)NC2H8O} (1) with NaOCD3 in CD3OD solution are reported. It is shown that cluster 1 has the property of CH-acidity inherent of Fisher type carbenes. This had demonstrated using hydrogen deuterium exchange reaction in the presence of a strong base. Bridging chlorine to metoxide ligand substitution takes place during the reaction. The molecular structure of 2 is compared with known analogues.

  15. Advanced Heat/Mass Exchanger Technology for Geothermal and Solar Renewable Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Greiner, Miles [Univ. of Nevada, Reno, NV (United States); Childress, Amy [Univ. of Nevada, Reno, NV (United States); Hiibel, Sage [Univ. of Nevada, Reno, NV (United States); Kim, Kwang [Univ. of Nevada, Reno, NV (United States); Park, Chanwoo [Univ. of Nevada, Reno, NV (United States); Wirtz, Richard [Univ. of Nevada, Reno, NV (United States)

    2014-12-16

    Northern Nevada has abundant geothermal and solar energy resources, and these renewable energy sources provide an ample opportunity to produce economically viable power. Heat/mass exchangers are essential components to any energy conversion system. Improvements in the heat/mass exchange process will lead to smaller, less costly (more efficient) systems. There is an emerging heat transfer technology, based on micro/nano/molecular-scale surface science that can be applied to heat/mass exchanger design. The objective is to develop and characterize unique coating materials, surface configurations and membranes capable of accommodating a 10-fold increase in heat/mass exchanger performance via phase change processes (boiling, condensation, etc.) and single phase convective heat/mass transfer.

  16. Mixture theory for a thermoelasto-plastic porous solid considering fluid flow and internal mass exchange

    DEFF Research Database (Denmark)

    Ristinmaa, M.; Ottosen, N.S.; Johannesson, Björn

    2011-01-01

    A thermoelastic-plastic body consisting of two phases, a solid and a fluid, each comprising two constituents is considered where one constituent in one phase is allowed to exchange mass with another constituent (of the same substance) in the other phase. A large strain setting is adopted and the ......A thermoelastic-plastic body consisting of two phases, a solid and a fluid, each comprising two constituents is considered where one constituent in one phase is allowed to exchange mass with another constituent (of the same substance) in the other phase. A large strain setting is adopted......, and in particular, a general evolution law for the rate of deformation tensor related to mass exchange is proposed and this leads to general absorption and desorption evolution laws for mass exchange between two constituents (of the same substance), one belonging to the solid phase and the other to the fluid phase....... Equilibrium curves for absorption and desorption also emerge from the theory....

  17. The thermodynamics of heat- and mass exchange in chemical engineering. Vol. 1. 2. rev. ed.

    International Nuclear Information System (INIS)

    Matz, G.

    1979-01-01

    The second and completely revised edition of the approved textbook 'The thermodynamics of heat- and mass exchange in chemical engineering' is devoted to students of technical and natural science disciplines as well as to practicians and scientists, which are confronted with thermodynamical problems of chemical engineering. Starting from the different phases and properties of matter, the first and the second law of thermodynamics are discussed together with many applications. After an introduction of the equilibrium state, the general principle of similarity for heat- and mass exchange is discussed, considering in particular the heat- and mass exchange in the counter flow between two phases. In a final chapter, the heat- and mass exchange between the vapor- and liquid phase is discussed, with special emphasis on problems as evaporation and drying. (orig./HK) [de

  18. Transport and mass exchange processes in sand and gravel aquifers (v.1)

    International Nuclear Information System (INIS)

    Moltyaner, G.

    1990-01-01

    The objectives of this conference were to exchange information on promising field measurement techniques used for the characterization of spatial variability of geologic formations and on new methods used for quantifying the effect of spatial variability on groundwater flow and transport of materials; to discuss novel developments in the theory of transport processes and simulation methods; and to present views and opinions on future initiatives and directions in the design of large-scale field tracer experiments and the development of conceptual and mathematical models of transport and mass exchange processes. The 46 papers presented in these proceedings are divided into six sections: field studies of transport processes; groundwater tracers and novel field measurement techniques; promising methods and field measurement techniques for quantifying the effect of geological heterogeneities on groundwater flow and transport; novel developments in the theory of transport processes; numerical modelling of transport and mass exchange processes; and field and modelling studies of mass exchange processes. (L.L.)

  19. Time evolution of the mass exchange in grazing heavy-ion collisions

    International Nuclear Information System (INIS)

    Bastrukov, S.I.; Deak, F.; Kiss, A.; Seres, Z.

    1989-10-01

    On the basis of a macroscopical approach to the description of two interpenetrating quantum objects, the equations of two-fluid hydrodynamics for the cohesion stage of deeply inelastic heavy-ion collisions are formulated. The elasticity of the ions is analyzed in peripheral mass exchange reactions at intermediate energies. The system of closed equations of Newtonian mechanics, which simultaneously describes the motion of the ions along classical trajectories as well as the mass time evolution during the interaction period are derived and solved. The role of mass exchange in the friction force is discussed. (author) 22 refs.; 2 figs

  20. On line determination of deuterium in hydrogen water exchange reaction by mass spectrometry. IRP-10

    International Nuclear Information System (INIS)

    Sharma, J.D.; Alphonse, K.P.; Mishra, Sushama; Prabhu, S.A.; Mohan, Sadhana; Tangri, V.K.

    2007-01-01

    The Deuterium (D)/Hydrogen (H) analysis at low Concentration is generally carried out by Mass Spectrometry. Mass Spectrometer is specially designed for the measurement of Mass 2 and 3 ratio. The Deuterium analysis of water and hydrogen in concentration range of a few ppm to about 1% plays an important role in the Heavy Water Production Plants. For the enrichment of the Deuterium concentration in H 2 O by H 2 - H 2 O exchange a catalyst is essential as reaction is relatively slow. Heavy Water Division has developed in house Platinum based catalyst for the isotopic exchange of Hydrogen and Water

  1. Intracellular water exchange for measuring the dry mass, water mass and changes in chemical composition of living cells.

    Directory of Open Access Journals (Sweden)

    Francisco Feijó Delgado

    Full Text Available We present a method for direct non-optical quantification of dry mass, dry density and water mass of single living cells in suspension. Dry mass and dry density are obtained simultaneously by measuring a cell's buoyant mass sequentially in an H2O-based fluid and a D2O-based fluid. Rapid exchange of intracellular H2O for D2O renders the cell's water content neutrally buoyant in both measurements, and thus the paired measurements yield the mass and density of the cell's dry material alone. Utilizing this same property of rapid water exchange, we also demonstrate the quantification of intracellular water mass. In a population of E. coli, we paired these measurements to estimate the percent dry weight by mass and volume. We then focused on cellular dry density - the average density of all cellular biomolecules, weighted by their relative abundances. Given that densities vary across biomolecule types (RNA, DNA, protein, we investigated whether we could detect changes in biomolecular composition in bacteria, fungi, and mammalian cells. In E. coli, and S. cerevisiae, dry density increases from stationary to exponential phase, consistent with previously known increases in the RNA/protein ratio from up-regulated ribosome production. For mammalian cells, changes in growth conditions cause substantial shifts in dry density, suggesting concurrent changes in the protein, nucleic acid and lipid content of the cell.

  2. Intracellular Water Exchange for Measuring the Dry Mass, Water Mass and Changes in Chemical Composition of Living Cells

    Science.gov (United States)

    Hecht, Vivian C.; Son, Sungmin; Li, Yingzhong; Knudsen, Scott M.; Olcum, Selim; Higgins, John M.; Chen, Jianzhu; Grover, William H.; Manalis, Scott R.

    2013-01-01

    We present a method for direct non-optical quantification of dry mass, dry density and water mass of single living cells in suspension. Dry mass and dry density are obtained simultaneously by measuring a cell’s buoyant mass sequentially in an H2O-based fluid and a D2O-based fluid. Rapid exchange of intracellular H2O for D2O renders the cell’s water content neutrally buoyant in both measurements, and thus the paired measurements yield the mass and density of the cell’s dry material alone. Utilizing this same property of rapid water exchange, we also demonstrate the quantification of intracellular water mass. In a population of E. coli, we paired these measurements to estimate the percent dry weight by mass and volume. We then focused on cellular dry density – the average density of all cellular biomolecules, weighted by their relative abundances. Given that densities vary across biomolecule types (RNA, DNA, protein), we investigated whether we could detect changes in biomolecular composition in bacteria, fungi, and mammalian cells. In E. coli, and S. cerevisiae, dry density increases from stationary to exponential phase, consistent with previously known increases in the RNA/protein ratio from up-regulated ribosome production. For mammalian cells, changes in growth conditions cause substantial shifts in dry density, suggesting concurrent changes in the protein, nucleic acid and lipid content of the cell. PMID:23844039

  3. Measuring the hydrogen/deuterium exchange of proteins at high spatial resolution by mass spectrometry: overcoming gas-phase hydrogen/deuterium scrambling.

    Science.gov (United States)

    Rand, Kasper D; Zehl, Martin; Jørgensen, Thomas J D

    2014-10-21

    acidic conditions where the amide hydrogen exchange rate is slowed by many orders of magnitude). The ability to localize the individual deuterated residues (the spatial resolution) is determined by the size (typically ∼7-15 residues) and the number of peptic peptides. These peptides provide a relatively coarse-grained picture of the protein dynamics. A fundamental understanding of the relationship between protein function/dysfunction and conformational dynamics requires in many cases higher resolution and ultimately single-residue resolution. In this Account, we summarize our efforts to achieve single-residue deuterium levels in proteins by electron-based or laser-induced gas-phase fragmentation methods. A crucial analytical requirement for this approach is that the pattern of deuterium labeling from solution is retained in the gas-phase fragment ions. It is therefore essential to control and minimize any occurrence of gas-phase randomization of the solution deuterium label (H/D scrambling) during the MS experiment. For this purpose, we have developed model peptide probes to accurately measure the onset and extent of H/D scrambling. Our analytical procedures to control the occurrence of H/D scrambling are detailed along with the physical parameters that induce it during MS analysis. In light of the growing use of gas-phase dissociation experiments to measure the HDX of proteins in order to obtain a detailed characterization and understanding of the dynamic conformations and interactions of proteins at the molecular level, we discuss the perspectives and challenges of future high-resolution HDX-MS methodology.

  4. Vacancy formation energy of Li(H,D) and Na(H,D) systems

    International Nuclear Information System (INIS)

    Islam, A.K.M.A.

    1993-06-01

    Vacancy defect formation energy (Schottky defect) of lighter hydrides and deuterides of alkali metals are discussed with reference to conductivity measurements and the recent computer simulation calculations. An empirical relation with Debye temperature is found to yield values of Schottky defect formation energies of Li(H,D) systems in agreement with experiments. The relationship is also utilized to obtain the formation energies for Na(H,D) systems for which experimental values are available in the literature. (author). 37 refs, 1 fig., 1 tab

  5. Further explorations of Skyrme-Hartree-Fock-Bogoliubov mass formulas. VIII. Role of Coulomb exchange

    International Nuclear Information System (INIS)

    Goriely, S.; Pearson, J. M.

    2008-01-01

    Following suggestions that the energy associated with Coulomb correlations and a possible charge-symmetry breaking of nuclear forces might largely cancel the Coulomb-exchange term, we refit the HFB-14 mass model without the Coulomb-exchange term to essentially all the mass data. The resulting mass model, HFB-15, gives a better fit to the 2149 mass data, σ rms falling from 0.729 to 0.678 MeV. The improvement in the energy differences between mirror nuclei is particularly striking: the Nolen-Schiffer anomaly, which is strong for HFB-14, is essentially eliminated. As for the extrapolation to highly neutron-rich nuclei, the HFB-15 model differs significantly from HFB-14, with up to 15 MeV less binding being predicted. However, the differences in the predicted values of differential quantities such as the neutron-separation energies, β-decay energies and fission barriers are very much smaller

  6. Mathematical model development of heat and mass exchange processes in the outdoor swimming pool

    OpenAIRE

    M. V. Shaptala; D. E. Shaptala

    2014-01-01

    Purpose. Currently exploitation of outdoor swimming pools is often not cost-effective and, despite of their relevance, such pools are closed in large quantities. At this time there is no the whole mathematical model which would allow assessing qualitatively the effect of energy-saving measures. The aim of this work is to develop a mathematical model of heat and mass exchange processes for calculating basic heat and mass losses that occur during its exploitation. Methodology. The m...

  7. Mass transfer in liquid phase catalytic exchange column of trickle bed type

    International Nuclear Information System (INIS)

    Yamanishi, Toshihiko; Iwai, Yasunori; Okuno, Kenji

    1995-09-01

    The mechanism of mass transfer in a liquid phase catalytic exchange column was discussed for a trickle bed type. A new model has been proposed on the basis of this mass transfer mechanism; and several problems for the previous reported models were pointed out in the derivation of the model. An overall rate equation was first derived from the vapor-hydrogen exchange in the model. The mass transfer for the vapor-hydrogen exchange was decomposed to the following three steps: the mass transfer in a gas boundary layer on a catalyst particle; the mass transfer within the pores in the catalyst; and the chemical reaction on the surface of the catalyst. The water-vapor scrubbing process was considered as a series of the mass transfers in gas and liquid boundary layers on the wetted surfaces of the catalyst and packings or wall of the column. Significant subjects to be studied were proposed from the viewpoint of the validity of the model and the optimization of the column. (author)

  8. The mass balance of a Proton Exchange Membrane Fuel Cell (PEMFC)

    International Nuclear Information System (INIS)

    Miloud, S.; Kamaruzzaman Sopian; Wan Ramli Wan Daud

    2006-01-01

    A Proton Exchange Membrane Fuel Cell (PEMFC), operating at low temperature uses a simple chemical process to combine hydrogen and oxygen into water, producing electric current and heat during the electrochemical reaction. This work concern on the theoretical consideration of the mass balance has been evaluated to predict the mass flow rate of the both gases (hydrogen/oxygen), the water mass balance, and the heat transfer in order to design a single cell PEMFC stack with a better flow field distributor on the performance of Polymer Electrolyte membrane fuel cells

  9. Non-conservative mass exchange and origin of X-ray close binaries

    International Nuclear Information System (INIS)

    Sugimoto, D.; Miyaji, S.

    1980-01-01

    There are two distinct types of XCBS. The Type I XCBS consists of an X-ray star and an early type star more massive than about 12 solar masses. On the contrary, the Type II XCBS consists of an X-ray star and a star less massive than about 2 solar masses. The aim of the present paper lies in interpreting the origin of these types of XCBS on the bases of the conditions for the formation of a neutron star and of mass exchange in close binary systems. (Auth.)

  10. Non-equilibrium mass transfer absorption model for the design of boron isotopes chemical exchange column

    International Nuclear Information System (INIS)

    Bai, Peng; Fan, Kaigong; Guo, Xianghai; Zhang, Haocui

    2016-01-01

    Highlights: • We propose a non-equilibrium mass transfer absorption model instead of a distillation equilibrium model to calculate boron isotopes separation. • We apply the model to calculate the needed column height to meet prescribed separation requirements. - Abstract: To interpret the phenomenon of chemical exchange in boron isotopes separation accurately, the process is specified as an absorption–reaction–desorption hybrid process instead of a distillation equilibrium model, the non-equilibrium mass transfer absorption model is put forward and a mass transfer enhancement factor E is introduced to find the packing height needed to meet the specified separation requirements with MATLAB.

  11. Thermal expansion and temperature variation of elastic constants of Li(H,D) and Na(H,D) systems

    International Nuclear Information System (INIS)

    Islam, A.K.M.A.; Hoque, M.T.

    1994-11-01

    An analysis of thermal expansion of Li(H,D) systems up to melting temperature has been performed using the theory of anharmonic lattice. The study has for the first time been extended to Na(H,D) systems where very little or no data are available. The calculated lattice constants of Li(H,D) systems show quite good agreement with experiment. The success of the present calculation with Li(H,D) and room temperature lattice constant data for Na(H,D) given an indication of the reliability of the computed lattice constants and thermal expansion coefficients for Na(H,D) systems. The study also allows us to predict the hitherto unknown lattice constants of Na(H,D) crystal at 0K. The temperature dependence of elastic constants for Li(H,D) systems has also been evaluated. Comparison with measurements shows the reliability of the present calculations. (author). 45 refs, 4 figs

  12. SAIDE: A Semi-Automated Interface for Hydrogen/Deuterium Exchange Mass Spectrometry.

    Science.gov (United States)

    Villar, Maria T; Miller, Danny E; Fenton, Aron W; Artigues, Antonio

    2010-01-01

    Deuterium/hydrogen exchange in combination with mass spectrometry (DH MS) is a sensitive technique for detection of changes in protein conformation and dynamics. Since temperature, pH and timing control are the key elements for reliable and efficient measurement of hydrogen/deuterium content in proteins and peptides, we have developed a small, semiautomatic interface for deuterium exchange that interfaces the HPLC pumps with a mass spectrometer. This interface is relatively inexpensive to build, and provides efficient temperature and timing control in all stages of enzyme digestion, HPLC separation and mass analysis of the resulting peptides. We have tested this system with a series of standard tryptic peptides reconstituted in a solvent containing increasing concentration of deuterium. Our results demonstrate the use of this interface results in minimal loss of deuterium due to back exchange during HPLC desalting and separation. For peptides reconstituted in a buffer containing 100% deuterium, and assuming that all amide linkages have exchanged hydrogen with deuterium, the maximum loss of deuterium content is only 17% of the label, indicating the loss of only one deuterium molecule per peptide.

  13. Ion mobility spectrometry-hydrogen deuterium exchange mass spectrometry of anions: part 1. Peptides to proteins.

    Science.gov (United States)

    Donohoe, Gregory C; Khakinejad, Mahdiar; Valentine, Stephen J

    2015-04-01

    Ion mobility spectrometry (IMS) coupled with hydrogen deuterium exchange (HDX)-mass spectrometry (MS) has been used to study the conformations of negatively-charged peptide and protein ions. Results are presented for ion conformers of angiotensin 1, a synthetic peptide (SP), bovine insulin, ubiquitin, and equine cytochrome c. In general, the SP ion conformers demonstrate a greater level of HDX efficiency as a greater proportion of the sites undergo HDX. Additionally, these ions exhibit the fastest rates of exchange. Comparatively, the angiotensin 1 ions exhibit a lower rate of exchange and HDX level presumably because of decreased accessibility of exchange sites by charge sites. The latter are likely confined to the peptide termini. Insulin ions show dramatically reduced HDX levels and exchange rates, which can be attributed to decreased conformational flexibility resulting from the disulfide bonds. For the larger ubiquitin and protein ions, increased HDX is observed for larger ions of higher charge state. For ubiquitin, a conformational transition from compact to more elongated species (from lower to higher charge states) is reflected by an increase in HDX levels. These results can be explained by a combination of interior site protection by compact conformers as well as decreased access by charge sites. The elongated cytochrome c ions provide the largest HDX levels where higher values correlate with charge state. These results are consistent with increased exchange site accessibility by additional charge sites. The data from these enhanced IMS-HDX experiments are described in terms of charge site location, conformer rigidity, and interior site protection.

  14. Dynamic mass exchange in doubly degenerate binaries. I - 0.9 and 1.2 solar mass stars

    International Nuclear Information System (INIS)

    Benz, W.; Cameron, A.G.W.; Press, W.H.; Bowers, R.L.

    1990-01-01

    The dynamic mass exchange process in doubly degenerate binaries was investigated using a three-dimensional numerical simulation of the evolution of a doubly degenerate binary system in which the primary is a 1.2-solar-mass white dwarf and the Roche lobe filling secondary is a 0.9-solar-mass dwarf. The results show that, in a little more than two orbital periods, the secondary is completely destroyed and transformed into a thick disk orbiting about the primary. Since only a very small fraction of the mass (0.0063 solar mass) escapes the system, the evolution of the binary results in the formation of a massive object. This object is composed of three parts, the initial white dwarf primary, a very hot pressure-supported spherical envelope, and a rotationally supported outer disk. The evolution of the system can be understood in terms of a simple analytical model where it is shown that the angular momentum carried by the mass during the transfer and stored in the disk determines the evolution of the system. 34 refs

  15. Enhancement of combined heat and mass transfer in a vertical-tube heat and mass exchanger

    International Nuclear Information System (INIS)

    Webb, R.L.; Perez-Blanco, H.

    1986-01-01

    This paper studies enhancement of heat and mass transfer between a countercurrent, gravity-drained water film and air flowing in a vertical tube. The enhancement technique employed is spaced, transverse wires placed in the air boundary layer, near the air--water interface. Heat transfer correlations for turbulent, single-phase heat transfer in pipes having wall-attached spaced ribs are used to select the preferred wire diameter, and to predict the gas phase heat and mass transfer coefficients. Tests were run with two different radial placements of the rib roughness: (1) at the free surface of the liquid film, and (2) the base of the roughness displaced 0.51 mm into the air flow. The authors hypothesize that the best heat/mass transfer and friction performance will be obtained with the roughness at the surface of the water film. Experiments conducted with both roughness placements show that the authors' hypothesis is correct. The measured heat/mass transfer enhancement agreed very closely with the predicted values. A unique feature of the enhancement concept is that it does not require surface wetting of the enhancement device to provide enhancement

  16. Mass transfer model liquid phase catalytic exchange column simulation applicable to any column composition profile

    Energy Technology Data Exchange (ETDEWEB)

    Busigin, A. [NITEK USA Inc., Ocala, FL (United States)

    2015-03-15

    Liquid Phase Catalytic Exchange (LPCE) is a key technology used in water detritiation systems. Rigorous simulation of LPCE is complicated when a column may have both hydrogen and deuterium present in significant concentrations in different sections of the column. This paper presents a general mass transfer model for a homogenous packed bed LPCE column as a set of differential equations describing composition change, and equilibrium equations to define the mass transfer driving force within the column. The model is used to show the effect of deuterium buildup in the bottom of an LPCE column from non-negligible D atom fraction in the bottom feed gas to the column. These types of calculations are important in the design of CECE (Combined Electrolysis and Catalytic Exchange) water detritiation systems.

  17. Time-resolved pulsed hydrogen/deuterium exchange mass spectrometry probes gaseous proteins structural kinetics.

    Science.gov (United States)

    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 μs 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.

  18. The flushing and exchange of the South China Sea derived from salt and mass conservation

    Science.gov (United States)

    Liu, Yang; Bye, John A. T.; You, Yuzhu; Bao, Xianwen; Wu, Dexing

    2010-07-01

    In this paper, we use two kinds of hydrographic data, historical cruise data, Array for Real-time Geostrophic Oceanography (Argo) float data, and atmospheric data to study the water exchange between the South China Sea (SCS) and the Pacific Ocean through the Luzon Strait. The annual mean distributions of temperature and salinity at five different levels in the SCS and the adjacent Pacific Ocean are presented, which indicate the occurrence of active water exchange through the Luzon Strait. The flushing and exchange of the SCS are then determined by the application of salt and mass conservation in a multi-layered thermohaline system, using an estimate of the net rainfall obtained from reanalysis data. The results show that the annual mean flushing time is 44±8 months with an inflow rate of 11±2 Sv (1 Sv=10 6 m 3 s -1), part of which recirculates at a deeper level through the Luzon Strait, the remainder (6±2 Sv) forming the SCS throughflow. The diffusive influx of salt is also estimated and accounts for about 10% of the total influx, and hence advection dominates over diffusion in the water exchange through the Luzon Strait. The seasonal cycle of exchange shows a maximum in autumn and winter of about twice the annual mean rate.

  19. On the vertical exchange of heat, mass and momentum over complex, mountainous terrain

    Directory of Open Access Journals (Sweden)

    Mathias Walter Rotach

    2015-12-01

    Full Text Available The role of the atmospheric boundary layer (ABL in the atmosphere-climate system is the exchange of heat, mass and momentum between ‘the earth’s surface’ and the atmosphere. Traditionally, it is understood that turbulent transport is responsible for this exchange and hence the understanding and physical description of the turbulence structure of the boundary layer is key to assess the effectiveness of earth-atmosphere exchange. This understanding is rooted in the (implicit assumption of a scale separation or spectral gap between turbulence and mean atmospheric motions, which in turn leads to the assumption of a horizontally homogeneous and flat (HHF surface as a reference, for which both physical understanding and model parameterizations have successfully been developed over the years. Over mountainous terrain, however, the ABL is generically inhomogeneous due to both thermal (radiative and dynamic forcing. This inhomogeneity leads to meso-scale and even sub-meso-scale flows such as slope and valley winds or wake effects. It is argued here that these (submeso-scale motions can significantly contribute to the vertical structure of the boundary layer and hence vertical exchange of heat and mass between the surface and the atmosphere. If model grid resolution is not high enough the latter will have to be parameterized (in a similar fashion as gravity wave drag parameterizations take into account the momentum transport due to gravity waves in large-scale models. In this contribution we summarize the available evidence of the contribution of (submeso-scale motions to vertical exchange in mountainous terrain from observational and numerical modeling studies. In particular, a number of recent simulation studies using idealized topography will be summarized and put into perspective – so as to identify possible limitations and areas of necessary future research.

  20. Hydrogen/deuterium exchange mass spectrometry with top-down electron capture dissociation for characterizing structural transitions of a 17 kDa protein.

    Science.gov (United States)

    Pan, Jingxi; Han, Jun; Borchers, Christoph H; Konermann, Lars

    2009-09-09

    Amide H/D exchange (HDX) mass spectrometry (MS) is widely used for protein structural studies. Traditionally, this technique involves protein labeling in D(2)O, followed by acid quenching, proteolytic digestion, and analysis of peptide deuteration levels by HPLC/MS. There is great interest in the development of alternative HDX approaches involving the top-down fragmentation of electrosprayed protein ions, instead of relying on enzymatic cleavage and solution-phase separations. A number of recent studies have demonstrated that electron capture dissociation (ECD) results in fragmentation of gaseous protein ions with little or no H/D scrambling. However, the successful application of this approach for in-depth protein conformational studies has not yet been demonstrated. The current work uses horse myoglobin as a model system for assessing the suitability of HDX-MS with top-down ECD for experiments of this kind. It is found that ECD can pinpoint the locations of protected amides with an average resolution of less than two residues for this 17 kDa protein. Native holo-myoglobin (hMb) shows considerable protection from exchange in all of its helices, whereas loops are extensively deuterated. Fraying is observable at some helix termini. Removal of the prosthetic heme group from hMb produces apo-myoglobin (aMb). Both hMb and aMb share virtually the same HDX protection pattern in helices A-E, whereas helix F is unfolded in aMb. In addition, destabilization is evident for some residues close to the beginning of helix G, the end of helix H, and the C-terminus of the protein. The structural changes reported herein are largely consistent with earlier NMR data for sperm whale myoglobin, although small differences between the two systems are evident. Our findings demonstrate that the level of structural information obtainable with top-down ECD for small to medium-sized proteins considerably surpasses that of traditional HDX-MS experiments, while at the same time greatly reducing

  1. Mathematical model development of heat and mass exchange processes in the outdoor swimming pool

    Directory of Open Access Journals (Sweden)

    M. V. Shaptala

    2014-12-01

    Full Text Available Purpose. Currently exploitation of outdoor swimming pools is often not cost-effective and, despite of their relevance, such pools are closed in large quantities. At this time there is no the whole mathematical model which would allow assessing qualitatively the effect of energy-saving measures. The aim of this work is to develop a mathematical model of heat and mass exchange processes for calculating basic heat and mass losses that occur during its exploitation. Methodology. The method for determination of heat and mass loses based on the theory of similarity criteria equations is used. Findings. The main types of heat and mass losses of outdoor pool were analyzed. The most significant types were allocated and mathematically described. Namely: by evaporation of water from the surface of the pool, by natural and forced convection, by radiation to the environment, heat consumption for water heating. Originality. The mathematical model of heat and mass exchange process of the outdoor swimming pool was developed, which allows calculating the basic heat and mass loses that occur during its exploitation. Practical value. The method of determining heat and mass loses of outdoor swimming pool as a software system was developed and implemented. It is based on the mathematical model proposed by the authors. This method can be used for the conceptual design of energy-efficient structures of outdoor pools, to assess their use of energy-intensive and selecting the optimum energy-saving measures. A further step in research in this area is the experimental validation of the method of calculation of heat losses in outdoor swimming pools with its use as an example the pool of Dnipropetrovsk National University of Railway Transport named after Academician V. Lazaryan. The outdoor pool, with water heating- up from the boiler room of the university, is operated year-round.

  2. Probing protein interactions with hydrogen/deuterium exchange and mass spectrometry—A review

    International Nuclear Information System (INIS)

    Percy, Andrew J.; Rey, Martial; Burns, Kyle M.; Schriemer, David C.

    2012-01-01

    Highlights: ► Protein chemistry generates mass shifts useful for structure–function studies. ► H/DX supports a powerful mass shift method for protein interaction analysis. ► H/DX mass shifts are useful for determining binding data (K d , off-rates). ► Improved H/DX–MS workflows can accommodate complex protein systems. - Abstract: Assessing the functional outcome of protein interactions in structural terms is a goal of structural biology, however most techniques have a limited capacity for making structure–function determinations with both high resolution and high throughput. Mass spectrometry can be applied as a reader of protein chemistries in order to fill this void, and enable methodologies whereby protein structure–function determinations may be made on a proteome-wide level. Protein hydrogen/deuterium exchange (H/DX) offers a chemical labeling strategy suitable for tracking changes in “dynamic topography” and thus represents a powerful means of monitoring protein structure–function relationships. This review presents the exchange method in the context of interaction analysis. Applications involving interface detection, quantitation of binding, and conformational responses to ligation are discussed, and commentary on recent analytical developments is provided.

  3. Mathematical Modeling of Non-Fickian Diffusional Mass Exchange of Radioactive Contaminants in Geological Disposal Formations

    Directory of Open Access Journals (Sweden)

    Anna Suzuki

    2018-01-01

    Full Text Available Deep geological repositories for nuclear wastes consist of both engineered and natural geologic barriers to isolate the radioactive material from the human environment. Inappropriate repositories of nuclear waste would cause severe contamination to nearby aquifers. In this complex environment, mass transport of radioactive contaminants displays anomalous behaviors and often produces power-law tails in breakthrough curves due to spatial heterogeneities in fractured rocks, velocity dispersion, adsorption, and decay of contaminants, which requires more sophisticated models beyond the typical advection-dispersion equation. In this paper, accounting for the mass exchange between a fracture and a porous matrix of complex geometry, the universal equation of mass transport within a fracture is derived. This equation represents the generalization of the previously used models and accounts for anomalous mass exchange between a fracture and porous blocks through the introduction of the integral term of convolution type and fractional derivatives. This equation can be applied for the variety of processes taking place in the complex fractured porous medium, including the transport of radioactive elements. The Laplace transform method was used to obtain the solution of the fractional diffusion equation with a time-dependent source of radioactive contaminant.

  4. Hydrogen Exchange Mass Spectrometry of Functional Membrane-bound Chemotaxis Receptor Complexes

    Science.gov (United States)

    Koshy, Seena S.; Eyles, Stephen J.; Weis, Robert M.; Thompson, Lynmarie K.

    2014-01-01

    The transmembrane signaling mechanism of bacterial chemotaxis receptors is thought to involve changes in receptor conformation and dynamics. The receptors function in ternary complexes with two other proteins, CheA and CheW, that form extended membrane-bound arrays. Previous studies have shown that attractant binding induces a small (~2 Å) piston displacement of one helix of the periplasmic and transmembrane domains towards the cytoplasm, but it is not clear how this signal propagates through the cytoplasmic domain to control the kinase activity of the CheA bound at the membrane-distal tip, nearly 200 Å away. The cytoplasmic domain has been shown to be highly dynamic, which raises the question of how a small piston motion could propagate through a dynamic domain to control CheA kinase activity. To address this, we have developed a method for measuring dynamics of the receptor cytoplasmic fragment (CF) in functional complexes with CheA and CheW. Hydrogen exchange mass spectrometry (HDX-MS) measurements of global exchange of CF demonstrate that CF exhibits significantly slower exchange in functional complexes than in solution. Since the exchange rates in functional complexes are comparable to that of other proteins of similar structure, the CF appears to be a well-structured protein within these complexes, which is compatible with its role in propagating a signal that appears to be a tiny conformational change in the periplasmic and transmembrane domains of the receptor. We also demonstrate the feasibility of this protocol for local exchange measurements, by incorporating a pepsin digest step to produce peptides with 87% sequence coverage and only 20% back exchange. This method extends HDX-MS to membrane-bound functional complexes without detergents that may perturb the stability or structure of the system. PMID:24274333

  5. Hydrogen deuterium exchange mass spectrometry in biopharmaceutical discovery and development – A review

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Bin, E-mail: dengbin@yorku.ca [Chemistry Department, York University, 4700 Keele Street, Toronto, ON, M3J 1P3 (Canada); The Centre for Research in Mass Spectrometry, York University, Toronto, ON, M3J1P3 (Canada); Lento, Cristina, E-mail: clento@yorku.ca [Chemistry Department, York University, 4700 Keele Street, Toronto, ON, M3J 1P3 (Canada); The Centre for Research in Mass Spectrometry, York University, Toronto, ON, M3J1P3 (Canada); Wilson, Derek J., E-mail: dkwilson@yorku.ca [Chemistry Department, York University, 4700 Keele Street, Toronto, ON, M3J 1P3 (Canada); The Centre for Research in Mass Spectrometry, York University, Toronto, ON, M3J1P3 (Canada)

    2016-10-12

    Protein therapeutics have emerged as a major class of biopharmaceuticals over the past several decades, a trend that has motivated the advancement of bioanalytical technologies for protein therapeutic characterization. Hydrogen deuterium exchange mass spectrometry (HDX-MS) is a powerful and sensitive technique that can probe the higher order structure of proteins and has been used in the assessment and development of monoclonal antibodies (mAbs), antibody-drug conjugates (ADCs) and biosimilar antibodies. It has also been used to quantify protein-ligand, protein-receptor and other protein-protein interactions involved in signaling pathways. In manufacturing and development, HDX-MS can validate storage formulations and manufacturing processes for various biotherapeutics. Currently, HDX-MS is being refined to provide additional coverage, sensitivity and structural specificity and implemented on the millisecond timescale to reveal residual structure and dynamics in disordered domains and intrinsically disordered proteins. - Highlights: • The pharmaceuticals industry is increasingly shifting to protein therapeutics. • Hydrogen deuterium exchange mass spectrometry is uniquely well suited to support biopharmaceutical development. • Applications for hydrogen deuterium exchange span drug discovery, development and manufacturing. • Future developments will allow improved sensitivity, structural resolution and a broader range of dynamics to be monitored.

  6. Hydrogen deuterium exchange mass spectrometry in biopharmaceutical discovery and development – A review

    International Nuclear Information System (INIS)

    Deng, Bin; Lento, Cristina; Wilson, Derek J.

    2016-01-01

    Protein therapeutics have emerged as a major class of biopharmaceuticals over the past several decades, a trend that has motivated the advancement of bioanalytical technologies for protein therapeutic characterization. Hydrogen deuterium exchange mass spectrometry (HDX-MS) is a powerful and sensitive technique that can probe the higher order structure of proteins and has been used in the assessment and development of monoclonal antibodies (mAbs), antibody-drug conjugates (ADCs) and biosimilar antibodies. It has also been used to quantify protein-ligand, protein-receptor and other protein-protein interactions involved in signaling pathways. In manufacturing and development, HDX-MS can validate storage formulations and manufacturing processes for various biotherapeutics. Currently, HDX-MS is being refined to provide additional coverage, sensitivity and structural specificity and implemented on the millisecond timescale to reveal residual structure and dynamics in disordered domains and intrinsically disordered proteins. - Highlights: • The pharmaceuticals industry is increasingly shifting to protein therapeutics. • Hydrogen deuterium exchange mass spectrometry is uniquely well suited to support biopharmaceutical development. • Applications for hydrogen deuterium exchange span drug discovery, development and manufacturing. • Future developments will allow improved sensitivity, structural resolution and a broader range of dynamics to be monitored.

  7. Improved protein hydrogen/deuterium exchange mass spectrometry platform with fully automated data processing.

    Science.gov (United States)

    Zhang, Zhongqi; Zhang, Aming; Xiao, Gang

    2012-06-05

    Protein hydrogen/deuterium exchange (HDX) followed by protease digestion and mass spectrometric (MS) analysis is accepted as a standard method for studying protein conformation and conformational dynamics. In this article, an improved HDX MS platform with fully automated data processing is described. The platform significantly reduces systematic and random errors in the measurement by introducing two types of corrections in HDX data analysis. First, a mixture of short peptides with fast HDX rates is introduced as internal standards to adjust the variations in the extent of back exchange from run to run. Second, a designed unique peptide (PPPI) with slow intrinsic HDX rate is employed as another internal standard to reflect the possible differences in protein intrinsic HDX rates when protein conformations at different solution conditions are compared. HDX data processing is achieved with a comprehensive HDX model to simulate the deuterium labeling and back exchange process. The HDX model is implemented into the in-house developed software MassAnalyzer and enables fully unattended analysis of the entire protein HDX MS data set starting from ion detection and peptide identification to final processed HDX output, typically within 1 day. The final output of the automated data processing is a set (or the average) of the most possible protection factors for each backbone amide hydrogen. The utility of the HDX MS platform is demonstrated by exploring the conformational transition of a monoclonal antibody by increasing concentrations of guanidine.

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

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Ananna; Kim, Donghwi [Kyungpook National University, Department of Chemistry, Daegu 702-701 (Korea, Republic of); Yim, Un Hyuk; Shim, Won Joon [Oil and POPs Research Group, Korea Institute of Ocean Science and Technology, KIOST, Geoje 656-834 (Korea, Republic of); Kim, Sunghwan, E-mail: sunghwank@knu.ac.kr [Kyungpook National University, Department of Chemistry, Daegu 702-701 (Korea, Republic of); Green Nano Center, Department of Chemistry, Daegu 702-701 (Korea, Republic of)

    2015-10-15

    Highlights: • We examined source crude oil and weathered oils from M/V Hebei accident. • APPI hydrogen/deuterium exchange ultrahigh mass spectrometry was applied. • N{sub 1} class compounds with 2° and/or 3° amine decrease in larger scale than pyridines. • Preferential degradation of nitrogen-containing compounds was confirmed. • Significant increase in S{sub 1}O{sub 1} compounds was observed as the weathering proceeds. - Abstract: 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{sup +}· and [N − H + D]{sup +} ions suggested that secondary and tertiary amine-containing compounds were preferentially degraded during the early stage of weathering. [N + H]{sup +} and [N + D]{sup +} 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 [S{sub 1}O{sub 1} + H]{sup +} and [S{sub 1}O{sub 1} + D]{sup +} 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 S{sub 1} 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.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    Highlights: • We examined source crude oil and weathered oils from M/V Hebei accident. • APPI hydrogen/deuterium exchange ultrahigh mass spectrometry was applied. • N 1 class compounds with 2° and/or 3° amine decrease in larger scale than pyridines. • Preferential degradation of nitrogen-containing compounds was confirmed. • Significant increase in S 1 O 1 compounds was observed as the weathering proceeds. - Abstract: 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 [S 1 O 1 + H] + and [S 1 O 1 + 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 S 1 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

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

    DEFF Research Database (Denmark)

    Mysling, Simon; Salbo, Rune; Ploug, Michael

    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...... 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....

  11. Mathematical modeling of water mass balance for proton exchange membrane fuel cell

    International Nuclear Information System (INIS)

    Wan Ramli Wan Daud; Kamaruzzaman Sopian; Jaafar Sahari; Nik Suhaimi Mat Hassan

    2006-01-01

    Gas and water management are key to achieving good performance from a proton exchange membrane fuel cell (PEMFC) stack. Water plays a critical role in PEMFC. The proton conductivity is increase with the water content. In order to achieve enough hydration, water is normally introduced into the cell externally by a variety of methods such as liquid injection, steam introduction, and humidification of reactants by passing them through humidifiers before entering the cell. In this paper, mathematical modeling of water mass balance for PEMFC at anode and cathode side are proposed by using external humidification and assume that steady state, constant pressure, constant temperature and gases distribution are uniform

  12. Protein hydrogen exchange measured at single-residue resolution by electron transfer dissociation mass spectrometry

    DEFF Research Database (Denmark)

    Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

    2009-01-01

    Because of unparalleled sensitivity and tolerance to protein size, mass spectrometry (MS) has become a popular method for measuring the solution hydrogen (1H/2H) exchange (HX) of biologically relevant protein states. While incorporated deuterium can be localized to different regions by pepsin....... The deuterium labeling pattern of beta2-microglobulin is retained in the gaseous fragment ions by employing mild declustering conditions for electrospray ionization. A recently developed model peptide is used to arrive at such ion source declustering conditions that prevent the occurrence of intramolecular gas...

  13. Spatially resolved protein hydrogen exchange measured by subzero-cooled chip-based nanoelectrospray ionization tandem mass spectrometry

    DEFF Research Database (Denmark)

    Amon, Sabine; Trelle, Morten B; Jensen, Ole N

    2012-01-01

    . After a given period of deuteration, the exchange reaction is quenched by acidification (pH 2.5) and cooling (0 °C) and the deuterated protein (or a digest thereof) is analyzed by mass spectrometry. The unavoidable loss of deuterium (back-exchange) that occurs under quench conditions is undesired...... as it leads to loss of information. Here we describe the successful application of a chip-based nanoelectrospray ionization mass spectrometry top-down fragmentation approach based on cooling to subzero temperature (-15 °C) which reduces the back-exchange at quench conditions to very low levels. For example...

  14. Real-time hydrogen/deuterium exchange kinetics via supercharged electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Sterling, Harry J; Williams, Evan R

    2010-11-01

    Amide hydrogen/deuterium exchange (HDX) rate constants of bovine ubiquitin in an ammonium acetate solution containing 1% of the electrospray ionization (ESI) "supercharging" reagent m-nitrobenzyl alcohol (m-NBA) were obtained using top-down, electron transfer dissociation (ETD) tandem mass spectrometry (MS). The supercharging reagent replaces the acid and temperature "quench" step in the conventional MS approach to HDX experiments by causing rapid protein denaturation to occur in the ESI droplet. The higher charge state ions that are produced with m-NBA are more unfolded, as measured by ion mobility, and result in higher fragmentation efficiency and higher sequence coverage with ETD. Single amino acid resolution was obtained for 44 of 72 exchangeable amide sites, and summed kinetic data were obtained for regions of the protein where adjacent fragment ions were not observed, resulting in an overall spatial resolution of 1.3 residues. Comparison of these results with previous values from NMR indicates that the supercharging reagent does not cause significant structural changes to the protein in the initial ESI solution and that scrambling or back-exchange is minimal. This new method for top-down HDX-MS enables real-time kinetic data measurements under physiological conditions, similar to those obtained using NMR, with comparable spatial resolution and significantly better sensitivity.

  15. The DExH/D protein family database.

    Science.gov (United States)

    Jankowsky, E; Jankowsky, A

    2000-01-01

    DExH/D proteins are essential for all aspects of cellular RNA metabolism and processing, in the replication of many viruses and in DNA replication. DExH/D proteins are subject to current biological, biochemical and biophysical research which provides a continuous wealth of data. The DExH/D protein family database compiles this information and makes it available over the WWW (http://www.columbia.edu/ ej67/dbhome.htm ). The database can be fully searched by text based queries, facilitating fast access to specific information about this important class of enzymes.

  16. Conformational analysis of g protein-coupled receptor signaling by hydrogen/deuterium exchange mass spectrometry.

    Science.gov (United States)

    Li, Sheng; Lee, Su Youn; Chung, Ka Young

    2015-01-01

    Conformational change and protein-protein interactions are two major mechanisms of membrane protein signal transduction, including G protein-coupled receptors (GPCRs). Upon agonist binding, GPCRs change conformation, resulting in interaction with downstream signaling molecules such as G proteins. To understand the precise signaling mechanism, studies have investigated the structural mechanism of GPCR signaling using X-ray crystallography, nuclear magnetic resonance (NMR), or electron paramagnetic resonance. In addition to these techniques, hydrogen/deuterium exchange mass spectrometry (HDX-MS) has recently been used in GPCR studies. HDX-MS measures the rate at which peptide amide hydrogens exchange with deuterium in the solvent. Exposed or flexible regions have higher exchange rates and excluded or ordered regions have lower exchange rates. Therefore, HDX-MS is a useful tool for studying protein-protein interfaces and conformational changes after protein activation or protein-protein interactions. Although HDX-MS does not give high-resolution structures, it analyzes protein conformations that are difficult to study with X-ray crystallography or NMR. Furthermore, conformational information from HDX-MS can help in the crystallization of X-ray crystallography by suggesting highly flexible regions. Interactions between GPCRs and downstream signaling molecules are not easily analyzed by X-ray crystallography or NMR because of the large size of the GPCR-signaling molecule complexes, hydrophobicity, and flexibility of GPCRs. HDX-MS could be useful for analyzing the conformational mechanism of GPCR signaling. In this chapter, we discuss details of HDX-MS for analyzing GPCRs using the β2AR-G protein complex as a model system. © 2015 Elsevier Inc. All rights reserved.

  17. The mass transfer dynamics of gaseous methyl-iodide adsorption by silver-exchanged sodium mordenite

    International Nuclear Information System (INIS)

    Jubin, R.T.

    1994-12-01

    The adsorption of methyl iodide onto hydrogen-reduced silver-exchange mordenite was studied. The removal of organic iodides from off-gas streams is an important step in controlling the release of radioactive iodine to the environment during the treatment of radioactive wastes or the processing of some irradiated materials. Nine well accepted mass transfer models were evaluated for their ability to adequately explain the observed CH 3 I uptake behavior onto the Ag-Z. Linear and multidimensional regression techniques were utilized in the estimation of the diffusion constants and other model parameters which then permitted the selection of an appropriate mass transfer model. To date, only bulk loading data exist for the adsorption of CH 3 I onto Ag-Z. Hence this is believed to be the first study to quantify the controlling mass transfer mechanisms of this process. It can be concluded from the analysis of the experimental data obtained by the single-pellet type experiments and for the process conditions used in this study that the overall mass transfer rate associated with the adsorption of CH 3 I onto Ag-Z is affected by both micropore and macropore diffusion. The macropore diffusion rate was significantly faster than the micropore diffusion, resulting in a two-step adsorption behavior which was adequately modeled by a bimodal pore distribution model. The micropore diffusivity was determined to be on the order of 2 x 10 -14 cm 2 /s. The system was also shown to be isothermal under all conditions of this study. Two other conclusions were also obtained. First, the gas film resistance to mass transfer for the 1/16 and 1/8-in.-diam Ag-Z pellets can be ignored under the conditions used in this study. Finally, it was shown that by decreasing the water vapor content of the feed gas, the chemical reaction rate appeared to become the initial rate-limiting factor for the mass transfer. 75 refs

  18. Influence of concentration and hydrodynamic factors in sorption of iodine by anion-exchangers of the mass-transfer rate

    International Nuclear Information System (INIS)

    Sokolov, V.V.; Smirnov, N.N.

    1982-01-01

    An investigation of the joint influence of hydrodynamic and concentration factors in sorption of iodine by AV-17-8 and anion exchange resins on the mass-transfer coefficient is the subject of this report. The method of central composite rotatable experimental design was used for quantitative assessment and derivation of the appropriate equations. The investigation yielded the necessary regression equations satisfactorily describing the influence of all the factors in the mass-transfer coefficient. the optimal mass-transfer conditions were determined. On the basis of the values obtained, recommendations are made on the optimal hydrodynamic conditions of operation of equipment with pneumatic circulation of the ion-exchanger

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

    Science.gov (United States)

    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.

  20. Development to term of sheep embryos reconstructed after inner cell mass/trophoblast exchange.

    Science.gov (United States)

    Loi, Pasqualino; Galli, Cesare; Lazzari, Giovanna; Matsukawa, Kazutsugu; Fulka, Josef; Goeritz, Frank; Hildebrandt, Thomas B

    2018-04-13

    Here we report in vitro and term development of sheep embryos after the inner cell mass (ICM) from one set of sheep blastocysts were injected into the trophoblast vesicles of another set. We also observed successful in vitro development of chimeric blastocysts made from sheep trophoblast vesicles injected with bovine ICM. First, we dissected ICMs from 35 sheep blastocysts using a stainless steel microblade and injected them into 29 re-expanded sheep trophoblastic vesicles. Of the 25 successfully micromanipulated trophoblastic vesicles, 15 (51.7%) re-expanded normally and showed proper ICM integration. The seven most well reconstructed embryos were transferred for development to term. Three ewes receiving manipulated blastocysts were pregnant at day 45 (42.8%), and all delivered normal offspring (singletons, two females and one male, average weight: 3.54 ± 0.358 kg). Next, we monitored in vitro development of sheep trophoblasts injected with bovine ICMs. Of 17 injected trophoblastic vesicles, 10 (58.8%) re-expanded after 4 h in culture, and four (40%) exhibited integrated bovine ICM. Our results indicate that ICM/trophoblast exchange is feasible, allowing full term development with satisfactory lambing rate. Therefore, ICM exchange is a promising approach for endangered species conservation.

  1. Conformational Assessment of Adnectin and Adnectin-Drug Conjugate by Hydrogen/Deuterium Exchange Mass Spectrometry

    Science.gov (United States)

    Huang, Richard Y.-C.; O'Neil, Steven R.; Lipovšek, Daša; Chen, Guodong

    2018-05-01

    Higher-order structure (HOS) characterization of therapeutic protein-drug conjugates for comprehensive assessment of conjugation-induced protein conformational changes is an important consideration in the biopharmaceutical industry to ensure proper behavior of protein therapeutics. In this study, conformational dynamics of a small therapeutic protein, adnectin 1, together with its drug conjugate were characterized by hydrogen/deuterium exchange mass spectrometry (HDX-MS) with different spatial resolutions. Top-down HDX allows detailed assessment of the residue-level deuterium content in the payload conjugation region. HDX-MS dataset revealed the ability of peptide-based payload/linker to retain deuterium in HDX experiments. Combined results from intact, top-down, and bottom-up HDX indicated no significant conformational changes of adnectin 1 upon payload conjugation. [Figure not available: see fulltext.

  2. Dynamics of urokinase receptor interaction with Peptide antagonists studied by amide hydrogen exchange and mass spectrometry

    DEFF Research Database (Denmark)

    Jørgensen, Thomas J D; Gårdsvoll, Henrik; Danø, Keld

    2004-01-01

    Using amide hydrogen exchange combined with electrospray ionization mass spectrometry, we have in this study determined the number of amide hydrogens on several peptides that become solvent-inaccessible as a result of their high-affinity interaction with the urokinase-type plasminogen activator...... receptor (uPAR). These experiments reveal that at least six out of eight amide hydrogens in a synthetic nine-mer peptide antagonist (AE105) become sequestered upon engagement in uPAR binding. Various uPAR mutants with decreased affinity for this peptide antagonist gave similar results, thereby indicating...... that deletion of the favorable interactions involving the side chains of these residues in uPAR does not affect the number of hydrogen bonds established by the main chain of the peptide ligand. The isolated growth factor-like domain (GFD) of the cognate serine protease ligand for uPAR showed 11 protected amide...

  3. Non-invasive acoustic-based monitoring of uranium in solution and H/D ratio

    Energy Technology Data Exchange (ETDEWEB)

    Pantea, Cristian [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Beedle, Christopher Craig [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sinha, Dipen N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Lakis, Rollin Evan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-08-01

    The primary objective of this project is to adapt existing non-invasive acoustic techniques (Swept-Frequency Acoustic Interferometry and Gaussian-pulse acoustic technique) for the purpose of demonstrating the ability to quantify U or H/D ratios in solution. Furthermore, a successful demonstration will provide an easily implemented, low cost, and non-invasive method for remote and unattended uranium mass measurements for International Atomic Energy Agency (IAEA).

  4. Observational signatures of past mass-exchange episodes in massive binaries: the case of LSS 3074

    Science.gov (United States)

    Raucq, F.; Gosset, E.; Rauw, G.; Manfroid, J.; Mahy, L.; Mennekens, N.; Vanbeveren, D.

    2017-05-01

    Context. The role of mass and momentum exchanges in close massive binaries is very important in the subsequent evolution of the components. Such exchanges produce several observational signatures such as asynchronous rotation and altered chemical compositions, that remain after the stars detach again. Aims: We investigated these effects for the close O-star binary LSS 3074 (O4 f + O6-7:(f):), which is a good candidate for a past Roche lobe overflow (RLOF) episode because of its very short orbital period, P = 2.185 days, and the luminosity classes of both components. Methods: We determined a new orbital solution for the system. We studied the photometric light curves to determine the inclination of the orbit and Roche lobe filling factors of both stars. Using phase-resolved spectroscopy, we performed the disentangling of the optical spectra of the two stars. We then analysed the reconstructed primary and secondary spectra with the CMFGEN model atmosphere code to determine stellar parameters, such as the effective temperatures and surface gravities, and to constrain the chemical composition of the components. Results: We confirm the apparent low stellar masses and radii reported in previous studies. We also find a strong overabundance in nitrogen and a strong carbon and oxygen depletion in both primary and secondary atmospheres, together with a strong enrichment in helium of the primary star. Conclusions: We propose several possible evolutionary pathways through a RLOF process to explain the current parameters of the system. We confirm that the system is apparently in overcontact configuration and has lost a significant portion of its mass to its surroundings. We suggest that some of the discrepancies between the spectroscopic and photometric properties of LSS 3074 could stem from the impact of a strong radiation pressure of the primary. Based on observations collected at the European Southern Observatory (La Silla, Chile) and the Cerro Tololo Inter

  5. Evidence of mass exchange between inside and outside of sonoluminescing bubble in aqueous solution of terbium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Jinfu, E-mail: liang.shi2007@163.com [School of Physics and Electronic Science, Guizhou Normal University, Guiyang 550001 (China); Chen, Weizhong, E-mail: wzchen@nju.edu.cn [The Key Laboratory of Modern Acoustics, Ministry of Education, Institution of Acoustics, Nanjing University, Nanjing 210093 (China); Wang, Xun; Yang, Jing; Chen, Zhan [The Key Laboratory of Modern Acoustics, Ministry of Education, Institution of Acoustics, Nanjing University, Nanjing 210093 (China)

    2016-12-16

    Highlights: • Time-resolved spectra of SBSL were obtained for Tb{sup 3+} ions emission lines. • Mass exchange between inside and outside of SL bubble was probed via Tb{sup 3+} ions lines. • The argon rectification hypothesis was tested by time-resolved spectra of SBSL. • The rate of mass exchange inside an SBSL bubble increases with increasing sound pressure. - Abstract: Spectra of single-bubble sonoluminescence (SBSL) were obtained for Tb{sup 3+} ions emission lines from bubbles in an aqueous solution of terbium chloride (TbCl{sub 3}). The spectra provide experimental evidence to prove that an air bubble driven by strong ultrasound will not eventually become a rectified pure argon bubble, which is not as predicted by the argon rectification hypothesis. The time-resolved spectra of SBSL show a mass exchange of material such as Tb{sup 3+} ions between the inside and outside of the bubble. With increasing sound pressure, the rate of mass exchange and the SBSL intensity increases.

  6. New determination of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reaction rates at astrophysical energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Mukhamedzhanov, A. M. [Cyclotron Institute Texas A and M University-College Station, Texas (United States); Typel, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH-Theorie Darmstadt (Germany); Tognelli, E.; Degl' Innocenti, S.; Prada Moroni, P. G. [Dipartimento di Fisica, Università di Pisa, and INFN-Sezione di Pisa, Pisa (Italy); Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S. [Nuclear Physics Institute of ASCR-Rez near Prague (Czech Republic); Lamia, L., E-mail: tumino@lns.infn.it [Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Catania (Italy)

    2014-04-20

    The cross sections of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured via the Trojan Horse method applied to the quasi-free {sup 2}H({sup 3}He,p {sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n {sup 3}He){sup 1}H processes at 18 MeV off the proton in {sup 3}He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the {sup 2}H(d,n){sup 3}He reaction is quite influential on {sup 7}Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M {sub ☉}.

  7. New determination of the 2H(d,p)3H and 2H(d,n)3He reaction rates at astrophysical energies

    International Nuclear Information System (INIS)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Mukhamedzhanov, A. M.; Typel, S.; Tognelli, E.; Degl'Innocenti, S.; Prada Moroni, P. G.; Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S.; Lamia, L.

    2014-01-01

    The cross sections of the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions have been measured via the Trojan Horse method applied to the quasi-free 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes at 18 MeV off the proton in 3 He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the 2 H(d,n) 3 He reaction is quite influential on 7 Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M ☉ .

  8. Air mass exchange across the polar vortex edge during a simulated major stratospheric warming

    Directory of Open Access Journals (Sweden)

    G. Günther

    Full Text Available The dynamics of the polar vortex in winter and spring play an important role in explaining observed low ozone values. A quantification of physical and chemical processes is necessary to obtain information about natural and anthropogenic causes of fluctuations of ozone. This paper aims to contribute to answering the question of how permeable the polar vortex is. The transport into and out of the vortex ("degree of isolation" remains the subject of considerable debate. Based on the results of a three-dimensional mechanistic model of the middle atmosphere, the possibility of exchange of air masses across the polar vortex edge is investigated. Additionally the horizontal and vertical structure of the polar vortex is examined. The model simulation used for this study is related to the major stratospheric warming observed in February 1989. The model results show fair agreement with observed features of the major warming of 1989. Complex structures of the simulated polar vortex are illustrated by horizontal and vertical cross sections of potential vorticity and inert tracer. A three-dimensional view of the polar vortex enables a description of the vortex as a whole. During the simulation two vortices and an anticyclone, grouped together in a very stable tripolar structure, and a weaker, more amorphous anticyclone are formed. This leads to the generation of small-scale features. The results also indicate that the permeability of the vortex edges is low because the interior of the vortices remain isolated during the simulation.

  9. Air mass exchange across the polar vortex edge during a simulated major stratospheric warming

    Directory of Open Access Journals (Sweden)

    G. Günther

    1995-07-01

    Full Text Available The dynamics of the polar vortex in winter and spring play an important role in explaining observed low ozone values. A quantification of physical and chemical processes is necessary to obtain information about natural and anthropogenic causes of fluctuations of ozone. This paper aims to contribute to answering the question of how permeable the polar vortex is. The transport into and out of the vortex ("degree of isolation" remains the subject of considerable debate. Based on the results of a three-dimensional mechanistic model of the middle atmosphere, the possibility of exchange of air masses across the polar vortex edge is investigated. Additionally the horizontal and vertical structure of the polar vortex is examined. The model simulation used for this study is related to the major stratospheric warming observed in February 1989. The model results show fair agreement with observed features of the major warming of 1989. Complex structures of the simulated polar vortex are illustrated by horizontal and vertical cross sections of potential vorticity and inert tracer. A three-dimensional view of the polar vortex enables a description of the vortex as a whole. During the simulation two vortices and an anticyclone, grouped together in a very stable tripolar structure, and a weaker, more amorphous anticyclone are formed. This leads to the generation of small-scale features. The results also indicate that the permeability of the vortex edges is low because the interior of the vortices remain isolated during the simulation.

  10. qcML: an exchange format for quality control metrics from mass spectrometry experiments.

    Science.gov (United States)

    Walzer, Mathias; Pernas, Lucia Espona; Nasso, Sara; Bittremieux, Wout; Nahnsen, Sven; Kelchtermans, Pieter; Pichler, Peter; van den Toorn, Henk W P; Staes, An; Vandenbussche, Jonathan; Mazanek, Michael; Taus, Thomas; Scheltema, Richard A; Kelstrup, Christian D; Gatto, Laurent; van Breukelen, Bas; Aiche, Stephan; Valkenborg, Dirk; Laukens, Kris; Lilley, Kathryn S; Olsen, Jesper V; Heck, Albert J R; Mechtler, Karl; Aebersold, Ruedi; Gevaert, Kris; Vizcaíno, Juan Antonio; Hermjakob, Henning; Kohlbacher, Oliver; Martens, Lennart

    2014-08-01

    Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data exchange format for reporting these performance metrics. We therefore developed the qcML format, an XML-based standard that follows the design principles of the related mzML, mzIdentML, mzQuantML, and TraML standards from the HUPO-PSI (Proteomics Standards Initiative). In addition to the XML format, we also provide tools for the calculation of a wide range of quality metrics as well as a database format and interconversion tools, so that existing LIMS systems can easily add relational storage of the quality control data to their existing schema. We here describe the qcML specification, along with possible use cases and an illustrative example of the subsequent analysis possibilities. All information about qcML is available at http://code.google.com/p/qcml. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. qcML: An Exchange Format for Quality Control Metrics from Mass Spectrometry Experiments*

    Science.gov (United States)

    Walzer, Mathias; Pernas, Lucia Espona; Nasso, Sara; Bittremieux, Wout; Nahnsen, Sven; Kelchtermans, Pieter; Pichler, Peter; van den Toorn, Henk W. P.; Staes, An; Vandenbussche, Jonathan; Mazanek, Michael; Taus, Thomas; Scheltema, Richard A.; Kelstrup, Christian D.; Gatto, Laurent; van Breukelen, Bas; Aiche, Stephan; Valkenborg, Dirk; Laukens, Kris; Lilley, Kathryn S.; Olsen, Jesper V.; Heck, Albert J. R.; Mechtler, Karl; Aebersold, Ruedi; Gevaert, Kris; Vizcaíno, Juan Antonio; Hermjakob, Henning; Kohlbacher, Oliver; Martens, Lennart

    2014-01-01

    Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data exchange format for reporting these performance metrics. We therefore developed the qcML format, an XML-based standard that follows the design principles of the related mzML, mzIdentML, mzQuantML, and TraML standards from the HUPO-PSI (Proteomics Standards Initiative). In addition to the XML format, we also provide tools for the calculation of a wide range of quality metrics as well as a database format and interconversion tools, so that existing LIMS systems can easily add relational storage of the quality control data to their existing schema. We here describe the qcML specification, along with possible use cases and an illustrative example of the subsequent analysis possibilities. All information about qcML is available at http://code.google.com/p/qcml. PMID:24760958

  12. Probing Conformational Dynamics of Tau Protein by Hydrogen/Deuterium Exchange Mass Spectrometry

    Science.gov (United States)

    Huang, Richard Y.-C.; Iacob, Roxana E.; Sankaranarayanan, Sethu; Yang, Ling; Ahlijanian, Michael; Tao, Li; Tymiak, Adrienne A.; Chen, Guodong

    2018-01-01

    Fibrillization of the microtubule-associated protein tau has been recognized as one of the signature pathologies of the nervous system in Alzheimer's disease, progressive supranuclear palsy, and other tauopathies. The conformational transition of tau in the fibrillization process, tau monomer to soluble aggregates to fibrils in particular, remains unclear. Here we report on the use of hydrogen/deuterium exchange mass spectrometry (HDX-MS) in combination with other biochemical approaches, including Thioflavin S fluorescence measurements, enzyme-linked immunosorbent assay (ELISA), and Western blotting to understand the heparin-induced tau's fibrillization. HDX-MS studies including anti-tau antibody epitope mapping experiments provided molecular level details of the full-length tau's conformational dynamics and its regional solvent accessibility upon soluble aggregates formation. The results demonstrate that R3 region in the full-length tau's microtubule binding repeat region (MTBR) is stabilized in the aggregation process, leaving both N and C terminal regions to be solvent exposed in the soluble aggregates and fibrils. The findings also illustrate the practical utility of orthogonal analytical methodologies for the characterization of protein higher order structure. [Figure not available: see fulltext.

  13. Simultaneous heat and mass transfer to air from a compact heat exchanger with water spray precooling and surface deluge cooling

    International Nuclear Information System (INIS)

    Zhang, Feini; Bock, Jessica; Jacobi, Anthony M.; Wu, Hailing

    2014-01-01

    Various methods are available to enhance heat exchanger performance with evaporative cooling. In this study, evaporative mist precooling, deluge cooling, and combined cooling schemes are examined experimentally and compared to model predictions. A flexible model of a compact, finned-tube heat exchanger with a wetted surface is developed by applying the governing conservation and rate equations and invoking the heat and mass transfer analogy. The model is applicable for dry, partially wet, or fully wet surface conditions and capable of predicting local heat/mass transfer, wetness condition, and pressure drop of the heat exchanger. Experimental data are obtained from wind tunnel experiments using a louver-fin flat-tube heat exchanger with single-phase tube-side flow. Total capacity, pressure drop, and water drainage behavior under various water usage rates and air face velocities are analyzed and compared to data for dry-surface conditions. A heat exchanger partitioning method for evaporative cooling is introduced to study partially wet surface conditions, as part of a consistent and general method for interpreting wet-surface performance data. The heat exchanger is partitioned into dry and wet portions by introducing a wet surface factor. For the wet part, the enthalpy potential method is used to determine the air-side sensible heat transfer coefficient. Thermal and hydraulic performance is compared to empirical correlations. Total capacity predictions from the model agree with the experimental results with an average deviation of 12.6%. The model is also exercised for four water augmentation schemes; results support operating under a combined mist precooling and deluge cooling scheme. -- Highlights: • A new spray-cooled heat exchanger model is presented and is validated with data. • Heat duty is shown to be asymptotic with spray flow rate. • Meaningful heat transfer coefficients for partially wet conditions are obtained. • Colburn j wet is lower than j dry

  14. Protein structural dynamics at the gas/water interface examined by hydrogen exchange mass spectrometry.

    Science.gov (United States)

    Xiao, Yiming; Konermann, Lars

    2015-08-01

    Gas/water interfaces (such as air bubbles or foam) are detrimental to the stability of proteins, often causing aggregation. This represents a potential problem for industrial processes, for example, the production and handling of protein drugs. Proteins possess surfactant-like properties, resulting in a high affinity for gas/water interfaces. The tendency of previously buried nonpolar residues to maximize contact with the gas phase can cause significant structural distortion. Most earlier studies in this area employed spectroscopic tools that could only provide limited information. Here we use hydrogen/deuterium exchange (HDX) mass spectrometry (MS) for probing the conformational dynamics of the model protein myoglobin (Mb) in the presence of N(2) bubbles. HDX/MS relies on the principle that unfolded and/or highly dynamic regions undergo faster deuteration than tightly folded segments. In bubble-free solution Mb displays EX2 behavior, reflecting the occurrence of short-lived excursions to partially unfolded conformers. A dramatically different behavior is seen in the presence of N(2) bubbles; EX2 dynamics still take place, but in addition the protein shows EX1 behavior. The latter results from interconversion of the native state with conformers that are globally unfolded and long-lived. These unfolded species likely correspond to Mb that is adsorbed to the surface of gas bubbles. N(2) sparging also induces aggregation. To explain the observed behavior we propose a simple model, that is, "semi-unfolded" ↔ "native" ↔ "globally unfolded" → "aggregated". This model quantitatively reproduces the experimentally observed kinetics. To the best of our knowledge, the current study marks the first exploration of surface denaturation phenomena by HDX/MS. © 2015 The Protein Society.

  15. Synthesis, crystal structure, and H/D exchange of the inside protonated form of the cage imine 4,8,12-triaza-1-azoniatricyclo[6.6.3.2(4,12)]nonadec-1(15)-ene. A model for proton transfer through an aliphatic membrane

    DEFF Research Database (Denmark)

    Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik

    2002-01-01

    belonging to the triazacyclononane entity. The imine double bond is situated between the N-atom of the triazacyclononane entity and the C-atom belonging to one of the three trimethylene bridges. The imine 2 is stable in acidic solution and the inside coordinated proton is very robust in acidic solution......, which gave K-im = 1.57(1) x 10(-5) M at 25 degreesC, DeltaSdegrees = -83(1) J mol(-1) K-1 and DeltaHdegrees = 2,6(3) kJ mol(-1) at 1 = 1.0 M (NaCl). The inside coordinated proton in 3 is labile in basic solution and the rate for NH/ND exchange was determined by H-1 NMR at three different temperatures....... The reaction followed the expression k(obs) = k(ex)[OD-] with k(ex) = 0.0978(30) dm(3) mol (1) s(-1) at 25 degreesC, DeltaSdegrees = 87(4) J mol(-1) K-1, and DeltaHdegrees = 104.9(11) kJ mol(-1) at I = 1.0 M (NaCl). The exchange rate is more than 5 x 106 times faster than that of the parent saturated cage 1...

  16. Multi-layer membrane model for mass transport in a direct ethanol fuel cell using an alkaline anion exchange membrane

    Science.gov (United States)

    Bahrami, Hafez; Faghri, Amir

    2012-11-01

    A one-dimensional, isothermal, single-phase model is presented to investigate the mass transport in a direct ethanol fuel cell incorporating an alkaline anion exchange membrane. The electrochemistry is analytically solved and the closed-form solution is provided for two limiting cases assuming Tafel expressions for both oxygen reduction and ethanol oxidation. A multi-layer membrane model is proposed to properly account for the diffusive and electroosmotic transport of ethanol through the membrane. The fundamental differences in fuel crossover for positive and negative electroosmotic drag coefficients are discussed. It is found that ethanol crossover is significantly reduced upon using an alkaline anion exchange membrane instead of a proton exchange membrane, especially at current densities higher than 500 A m

  17. Gas-phase fragmentation of peptides to increase the spatial resolution of the Hydrogen Exchange Mass Spectrometry experiment

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Rand, Kasper Dyrberg

    2016-01-01

    are produced after precursor ion selection and thus do not add complexity to the LC-MS analysis. The key to obtaining optimal spatial resolution in a hydrogen exchange mass spectrometry (HX-MS) experiment is the fragmentation efficiency. This chapter discusses common fragmentation techniques like collision....../D scrambling, thus making them suitable for HX applications. By combining the classic bottom-up HX-MS workflow with gas-phase fragmentation by ETD, detailed information on protein HX can be obtained....

  18. Numerical study of a novel counter-flow heat and mass exchanger for dew point evaporative cooling

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, X.; Riffat, S.B. [School of the Built Environment, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Li, J.M. [Department of Thermal Engineering, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084 (China)

    2008-10-15

    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) effectiveness of the exchanger and maximise the energy efficiency of the dew point cooling system. The results of the simulations indicated that cooling (dew point and wet bulb) effectiveness and energy efficiency are largely dependent on the dimensions of the airflow passages, air velocity and working-to-intake-air ratio, and less dependent on the temperature of the feed water. It is recommended that exchanger intake air velocity should be controlled to a value below 0.3-0.5 m/s; height of air passage (channel) should be set to 6 mm or below and the length of the passage should be 200 time the height; the working-to-intake-air ratio should be around 0.4. Under the UK summer design condition, i.e., 28{sup o}C of dry bulb temperature, 20{sup o}C of wet bulb temperature and 16{sup o}C of dew point temperature, the exchanger can achieve wet-bulb effectiveness of up to 1.3 and dew-point effectiveness of up to 0.9. (author)

  19. Calcium isotope effects in ion exchange electromigration and calcium isotope analysis by thermo-ionization mass spectrometry

    International Nuclear Information System (INIS)

    Fujii, Y.; Hoshi, J.; Iwamoto, H.; Okamoto, M.; Kakihana, H.

    1985-01-01

    Calcium ions were made to electromigrate along a cation exchange membrane. The abundance ratios of the calcium isotopes (Ca-40, 42, 43, 44, 48) in the migrated bands were measured by thermo-ionization mass spectrometry. The lighter isotopes were enriched in the front part of the migrated band. The increments in the isotope abundance ratios were found to be proportional to the mass difference of the isotopes. The observed epsilon-values per unit mass difference (epsilon/ΔM) were 1.26 x 10 -4 (at 20 0 C), 1.85 x 10 -4 (at 25 0 C) and 2.4 x 10 -4 (at 40 0 C). The mass spectrometry was improved by using a low temperature for the evaporation of CaI 2 . (orig.)

  20. Final results for the excitation function and angular distributions of the 3H(d,n)4He reaction

    International Nuclear Information System (INIS)

    Tang Hongqing; Zhou Zuying; Qi Bujia; Zhou Chenwei; Du Yanfeng; Xia Haihong; Chen Zemin; Chen Zhenpeng; Chen Yingtang

    1998-01-01

    The final relative excitation function of the 3 H(d,n) 4 He rection at 0 degree is shown out. For comparison, a curve calculated from Drosg's HI-13 tandem is in progressplotted. The angular distributions of the 3 H(d,n) 4 He reaction at E d =13.36, 16.50 and 19.50 Mev in the center-of-mass system are shown out. A comparison of the legendre polynomial coefficients obtained from the present angular distribution data with Drosg's evaluation are reported

  1. Site-Specific Hydrogen Isotope Composition of Propane: Mass spectrometric methods, equilibrium temperature dependence, and kinetics of exchange

    Science.gov (United States)

    Xie, H.; Ponton, C.; Kitchen, N.; Lloyd, M. K.; Lawson, M.; Formolo, M. J.; Eiler, J. M.

    2016-12-01

    Intramolecular isotope ordering can constrain temperatures of synthesis, mechanisms of formation, and/or source substrates of organic compounds. Here we explore site-specific hydrogen isotope variations of propane. Statistical thermodynamic models predict that at equilibrium methylene hydrogen (-CH2-) in propane will be 10's of per mil higher in D/H ratio than methyl hydrogen (-CH3) at geologically relevant temperatures, and that this difference is highly temperature dependent ( 0.5-1 ‰/°C). Chemical-kinetic controls on site-specific D/H in propane could constrain the mechanisms, conditions and extents of propane synthesis or destruction. We have developed a method for measuring the difference in D/H ratio between methylene and methyl hydrogen in propane by gas source mass spectrometry. The data were measured using the Thermo Fisher Double Focusing Sector high resolution mass spectrometer (DFS), and involve comparison of the D/H ratios of molecular ion (C3H8+) and the ethyl fragmental ion (C2H5+). We demonstrate the accuracy and precision of this method through analysis of D-labeled and independently analyzed propanes. In the exchange experiments, propane was heated (100-200 oC) either alone or in the presence of D-enriched water (δD=1,1419 ‰ SMOW), with or without one of several potentially catalytic substrates for hours to weeks. Propane was found to exchange hydrogen with water vigorously at 200 °C in the presence of metal catalysts. In the presence of Ni catalyst, methylene hydrogen exchanges 2.5 times faster than methyl hydrogen. Hydrogen exchange in the presence of Pd catalyst is more effective and can equilibrate hydrogen isotope distribution on propane on the order of 7 days. Isotopic exchange in the presence of natural materials have also been tested, but is only measurable in the methylene group at 200 °C. High catalytic activity of Pd permits attainment of a bracketed, time-invariant equilibrium state that we use to calibrate the site

  2. EXPERIMENTAL STUDY OF LOCAL HYDRODYNAMICS AND MASS EXCHANGE PROCESSES OF COOLANT IN FUEL ASSEMBLIES OF PRESSURIZED WATER REACTORS

    Directory of Open Access Journals (Sweden)

    S. M. Dmitriev

    2016-01-01

    Full Text Available The results of experimental studies of local hydrodynamics and mass exchange of coolant flow behind spacer and mixing grids of different structural versions that were developed for fuel assemblies of domestic and foreign nuclear reactors are presented in the article. In order to carry out the study the models of the following fuel assemblies have been fabricated: FA for VVER and VBER, FA-KVADRAT for PWR-reactor and FA for KLT-40C reactor. All the models have been fabricated with a full geometrical similarity with full-scale fuel assemblies. The study was carried out by simulating the flow of coolant in a core by air on an aerodynamic test rig. In order to measure local hydrodynamic characteristics of coolant flow five-channel Pitot probes were used that enable to measure the velocity vector in a point by its three components. The tracerpropane method was used for studying mass transfer processes. Flow hydrodynamics was studied by measuring cross-section velocities of coolant flow and coolant rates according to the model cells. The investigation of mass exchange processes consisted of a study of concentration distribution for tracer in experimental model, in determination of attenuation lengths of mass transfer processes behind mixing grids, in calculating of inter-cellar mass exchange coefficient. The database on coolant flow in fuel assemblies for different types of reactors had been accumulated that formed the basis of the engineering substantiation of reactor cores designs. The recommendations on choice of optimal versions of mixing grids have been taken into consideration by implementers of the JSC “OKBM Afrikantov” when creating commissioned fuel assemblies. The results of the study are used for verification of CFD-codes and CFD programs of detailed cell-by-cell calculation of reactor cores in order to decrease conservatism for substantiation of thermal-mechanical reliability.

  3. The TRIUMF compact DC H-/D- ion source

    International Nuclear Information System (INIS)

    Jayamanna, K.; McDonald, M.; Yuan, D.H.; Schmor, P.W.

    1990-06-01

    A compact dc H - /D - ion source using multicusp magnetic plasma confinement, has been experimentally studied and optimized on the TRIUMF ion source test stand. The plasma parameters have been obtained with rapid computer controlled Langmuir probe scans. The extraction electrode configuration, originally tailored to the TR30 cyclotron requirements, has been further developed. With a 12 mm diameter extraction hole this source now provides 9 mA within a normalized emittance of 0.44 π mm-mrad and can be easily modified for lower currents of smaller emittance (1 mA H - current with normalized emittance 0.12π.mm-mrad or 7 mA H - current with normalized emittance 0.34π.mm-mrad). The source has proven to have low maintenance, high reliability and long filament lifetime. This paper emphasizes basic plasma parameters which determine the efficiency of H - /D - production. Some experimental results obtained from several versions of the extraction system are also described. (Author) 6 refs., 8 figs

  4. Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

    Energy Technology Data Exchange (ETDEWEB)

    Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D. [Division of General Education, Nagaoka National College of Technology, 888 Nishikatakai, Nagaoka, Niigata, 940-8532 (Japan); Center for Academic Information Service, Niigata University, Niigata 950-2181 (Japan); Department of Physics, Niigata University, Niigata 950-2181, Japan and RIKEN Nishina Center, Wako 351-0198 (Japan); Physique Nucleaire Theorique et Physique Mathematique, C.P.229, Universite Libre de Bruxelles, B 1050 Brussels (Belgium); Physique Quantique, CP165/82, Universite Libre de Bruxelles, B-1050 Brussels (Belgium)

    2012-11-12

    The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

  5. Thermal performance analysis of heat exchanger for closed wet cooling tower using heat and mass transfer analogy

    International Nuclear Information System (INIS)

    Yoo, Seong Yeon; Han, Kyu Hyun; Kim, Jin Hyuck

    2010-01-01

    In closed wet cooling towers, the heat transfer between the air and external tube surfaces can be composed of the sensible heat transfer and the latent heat transfer. The heat transfer coefficient can be obtained from the equation for external heat transfer of tube banks. According to experimental data, the mass transfer coefficient was affected by the air velocity and spray water flow rate. This study provides the correlation equation for mass transfer coefficient based on the analogy of the heat and mass transfer and the experimental data. The results from this correlation equation showed fairly good agreement with experimental data. The cooling capacity and thermal efficiency of the closed wet cooling tower were calculated from the correlation equation to analyze the performance of heat exchanger for the tower

  6. U/Th dating by SHRIMP RG ion-microprobe mass spectrometry using single ion-exchange beads

    Science.gov (United States)

    Bischoff, J.L.; Wooden, J.; Murphy, F.; Williams, Ross W.

    2005-01-01

    We present a new analytical method for U-series isotopes using the SHRIMP RG (Sensitive High mass Resolution Ion MicroProbe) mass spectrometer that utilizes the preconcentration of the U-series isotopes from a sample onto a single ion-exchange bead. Ion-microprobe mass spectrometry is capable of producing Th ionization efficiencies in excess of 2%. Analytical precision is typically better than alpha spectroscopy, but not as good as thermal ionization mass spectroscopy (TIMS) and inductively coupled plasma multicollector mass spectrometry (ICP-MS). Like TIMS and ICP-MS the method allows analysis of small samples sizes, but also adds the advantage of rapidity of analysis. A major advantage of ion-microprobe analysis is that U and Th isotopes are analyzed in the same bead, simplifying the process of chemical separation. Analytical time on the instrument is ???60 min per sample, and a single instrument-loading can accommodate 15-20 samples to be analyzed in a 24-h day. An additional advantage is that the method allows multiple reanalyses of the same bead and that samples can be archived for reanalysis at a later time. Because the ion beam excavates a pit only a few ??m deep, the mount can later be repolished and reanalyzed numerous times. The method described of preconcentrating a low concentration sample onto a small conductive substrate to allow ion-microprobe mass spectrometry is potentially applicable to many other systems. Copyright ?? 2005 Elsevier Ltd.

  7. Rapid Conformational Analysis of Protein Drugs in Formulation by Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS)

    DEFF Research Database (Denmark)

    Esmail Nazari, Zeinab; van de Weert, Marco; Bou-Assaf, George

    2016-01-01

    Hydrogen Deuterium Exchange coupled to Mass Spectrometry (HDX-MS) has become an established method for analysis of protein higher-order structure. Here, we use HDX-MS methodology based on manual Solid-Phase Extraction (SPE) to allow fast and simplified conformational analysis of proteins under...... pharmaceutically relevant formulation conditions. Of significant practical utility, the methodology allows global HDX-MS analyses to be performed without refrigeration or external cooling of the setup. In Mode 1, we used DMSO-containing solvents for SPE, allowing the HDX-MS analysis to be performed at acceptable...... in formulation, using an internal HDX reference peptide (P7I) to control for any sample-to-sample variations in back exchange. Advantages of the methodology include low sample use, optimized excipient removal using multiple solvents, and fast data acquisition. Our results indicate that the SPE-HDX-MS system can...

  8. Investigating the Interaction between the Neonatal Fc Receptor and Monoclonal Antibody Variants by Hydrogen/Deuterium Exchange Mass Spectrometry

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Larraillet, Vincent; Schlothauer, Tilman

    2015-01-01

    The recycling of immunoglobulins by the neonatal Fc receptor (FcRn) is of crucial importance in the maintenance of antibody levels in plasma and is responsible for the long half-lives of endogenous and recombinant monoclonal antibodies. From a therapeutic point of view there is great interest...... in understanding and modulating the IgG-FcRn interaction to optimize antibody pharmacokinetics and ultimately improve efficacy and safety. Here we studied the interaction between a full-length human IgG1 and human FcRn via hydrogen/deuterium exchange mass spectrometry and targeted electron transfer dissociation...... to map sites perturbed by binding on both partners of the IgG-FcRn complex. Several regions in the antibody Fc region and the FcRn were protected from exchange upon complex formation, in good agreement with previous crystallographic studies of FcRn in complex with the Fc fragment. Interestingly, we found...

  9. Mass and Heat Transfer in Ion-Exchange Membranes Applicable to Solid Polymer Fuel Cells

    Energy Technology Data Exchange (ETDEWEB)

    Otteroey, M

    1996-04-01

    In this doctoral thesis, an improved emf method for determination of transference numbers of two counter ions in ion-exchange membranes is presented. Transference numbers were obtained as a continuous function of the composition. The method avoids problems with diffusion by using a stack of membranes. Water transference coefficients in ion-exchange membranes is discussed and reversible and irreversible water transfer is studied by emf methods. Efforts were made to get data relevant to the solid polymer fuel cell. The results support the findings of other researchers that the reversible water transfer is lower than earlier predicted. A chapter on the conductivity of ion-exchange membranes establishes a method to separate the very thin liquid layers surrounding the membranes in a stack. Using the method it was found that the conductivity is obtained with high accuracy and that the liquid layer in a membrane stack can contribute significantly to the total measured resistance. A four point impedance method was tested to measure the conductivity of membranes under fuel cell conditions. Finally, there is a discussion of reversible heat effects and heat transfer in ion-exchange membranes. 155 refs., 45 figs., 13 tabs.

  10. Thermodynamic assessment of the Pd-H-D-T system

    Energy Technology Data Exchange (ETDEWEB)

    Joubert, J.-M., E-mail: jean-marc.joubert@icmpe.cnrs.f [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux Paris-Est, CNRS, Universite de Paris XII, UMR 7182, 2-8 rue Henri Dunant, F-94320 Thiais (France); Thiebaut, S. [CEA/DAM/Valduc, F-21120 Is sur Tille (France)

    2009-12-15

    The three binary systems H-Pd, D-Pd and Pd-T have been modelled in the frame of the Calphad approach. A complete literature search has been undertaken and the most significant experimental data have been selected for a thermodynamic assessment of these systems. To complement the available data, pressure-composition curves have been measured for the three systems in the present work. The three systems are characterized by a strong isotope effect which is well taken into account in the modelling. They have been combined to perform calculations in the quaternary H-D-Pd-T system. It is shown that a reasonable extrapolation can be made without the use of ternary parameters if it is calculated with the so-called Toop model.

  11. H/D Isotope Effects in Hydrogen Bonded Systems

    Directory of Open Access Journals (Sweden)

    Aleksander Filarowski

    2013-04-01

    Full Text Available An extremely strong H/D isotope effect observed in hydrogen bonded A-H…B systems is connected with a reach diversity of the potential shape for the proton/deuteron motion. It is connected with the anharmonicity of the proton/deuteron vibrations and of the tunneling effect, particularly in cases of short bridges with low barrier for protonic and deuteronic jumping. Six extreme shapes of the proton motion are presented starting from the state without possibility of the proton transfer up to the state with a full ionization. The manifestations of the H/D isotope effect are best reflected in the infra-red absorption spectra. A most characteristic is the run of the relationship between the isotopic ratio nH/nD and position of the absorption band shown by using the example of NHN hydrogen bonds. One can distinguish a critical range of correlation when the isotopic ratio reaches the value of ca. 1 and then increases up to unusual values higher than . The critical range of the isotope effect is also visible in NQR and NMR spectra. In the critical region one observes a stepwise change of the NQR frequency reaching 1.1 MHz. In the case of NMR, the maximal isotope effect is reflected on the curve presenting the dependence of Δd (1H,2H on d (1H. This effect corresponds to the range of maximum on the correlation curve between dH and ΔpKa that is observed in various systems. There is a lack in the literature of quantitative information about the influence of isotopic substitution on the dielectric properties of hydrogen bond except the isotope effect on the ferroelectric phase transition in some hydrogen bonded crystals.

  12. Simulated North Atlantic-Nordic Seas water mass exchanges in an isopycnic coordinate OGCM

    OpenAIRE

    Nilsen, Jan Even Øie; Gao, Yongqi; Drange, Helge; Furevik, Tore; Bentsen, Mats

    2003-01-01

    The variability in the volume exchanges between the North Atlantic and the Nordic Seas during the last 50 years is investigated using a synoptic forced, global version of the Miami Isopycnic Coordinate Ocean Model (MICOM). The simulated volume fluxes agree with the existing observations. The net volume flux across the Faroe-Shetland Channel (FSC) is positively correlated with the net flux through the Denmark Strait (DS; R = 0.74 for 3 years low pass filtering), but negatively correlated with ...

  13. Numerical investigation of the energy performance of a guideless irregular heat and mass exchanger with corrugated heat transfer surface for dew point cooling

    International Nuclear Information System (INIS)

    Xu, Peng; Ma, Xiaoli; Diallo, Thierno M.O.; Zhao, Xudong; Fancey, Kevin; Li, Deying; Chen, Hongbing

    2016-01-01

    The paper presents an investigation into the energy performance of a novel irregular heat and mass exchanger for dew point cooling which, compared to the existing flat-plate heat exchangers, removed the use of the channel supporting guides and implemented the corrugated heat transfer surface, thus expecting to achieve the reduced air flow resistance, increased heat transfer area, and improved energy efficiency (i.e. Coefficient of Performance (COP)) of the air cooling process. CFD simulation was carried out to determine the flow resistance (K) factors of various elements within the dry and wet channels of the exchanger, while the ‘finite-element’ based ‘Newton-iteration’ numerical simulation was undertaken to investigate its cooling capacity, cooling effectiveness and COP at various geometrical and operational conditions. Compared to the existing flat-plate heat and mass exchangers with the same geometrical dimensions and operational conditions, the new irregular exchanger could achieve 32.9%–37% higher cooling capacity, dew-point and wet-bulb effectiveness, 29.7%–33.3% higher COP, and 55.8%–56.2% lower pressure drop. While undertaking dew point air cooling, the irregular heat and mass exchanger had the optimum air velocity of 1 m/s within the flow channels and working-to-intake air ratio of 0.3, which allowed the highest cooling capacity and COP to be achieved. In terms of the exchanger dimensions, the optimum height of the channel was 5 mm while its length was in the range 1–2 m. Overall, the proposed irregular heat and mass exchanger could lead to significant enhanced energy performance compared to the existing flat-plate dew point cooling heat exchanger of the same geometrical dimensions. To achieve the same amount cooling output, the irregular heat and mass exchanger had the reduced size and cost against the flat-plate ones. - Highlights: • Numerical investigation of an irregular heat and mass exchanger was undertaken. • A

  14. Mass exchange and angular distribution in a dynamical treatment of heavy ion collisions

    International Nuclear Information System (INIS)

    Ngo, C.; Hofmann, H.

    1977-01-01

    One presents a first numerical computation of the absolute value of the double differential cross section as a function of mass asymmetry and detection angle including a dynamical coupling between relative motion and mass asymmetry. One applies it to the 63 Cu+ 197 Au experiment at two different energies. The equation of motion used is a Fokker-Planck equation for distribution function in classical phase space. The coefficients needed are those known from classical model calculations, besides a friction coefficient introduced for the mass asymmetry degree. Encouraging agreement between the calculated and experimental curves is found

  15. Inclusion of human mineralized exometabolites and fish wastes as a source of higher plant mineral nutrition in BTLSS mass exchange

    Science.gov (United States)

    Tikhomirova, Natalia; Tikhomirov, Alexander A.; Ushakova, Sofya; Anischenko, Olesya; Trifonov, Sergey V.

    Human exometabolites inclusion into an intrasystem mass exchange will allow increasing of a closure level of a biological-technical life support system (BTLSS). Previously at the IBP SB RAS it was shown that human mineralized exometabolites could be incorporated in the BTLSS mass exchange as a mineral nutrition source for higher plants. However, it is not known how that combined use of human mineralized exometabolites and fish wastes in the capacity of nutrient medium, being a part of the BTLSS consumer wastes, will affect the plant productivity. Several wheat vegetations were grown in an uneven-aged conveyor on a neutral substrate. A mixture of human mineralized exometabolites and fish wastes was used as a nutrient solution in the experiment treatment and human mineralized exometabolites were used in the control. Consequently, a high wheat yield in the experiment treatment practically equal to the control yield was obtained. Thus, mineralized fish wastes can be an additional source of macro-and micronutrients for plants, and use of such wastes for the plant mineral nutrition allows increasing of BTLSS closure level.

  16. Laser-driven polarized H/D sources and targets

    International Nuclear Information System (INIS)

    Clasie, B.; Crawford, C.; Dutta, D.; Gao, H.; Seely, J.; Xu, W.

    2005-01-01

    Traditionally, Atomic Beam Sources are used to produce targets of nuclear polarized hydrogen (H) or deuterium (D) for experiments using storage rings. Laser-Driven Sources (LDSs) offer a factor of 20-30 gain in the target thickness (however, with lower polarization) and may produce a higher overall figure of merit. The LDS is based on the technique of spin-exchange optical pumping where alkali vapor is polarized by absorbing circularly polarized laser photons. The H or D atoms are nuclear-polarized through spin-exchange collisions with the polarized alkali vapor and through subsequent hyperfine interactions during frequent H-H or D-D collisions

  17. Remarkable nanoconfinement effects on chemical equilibrium manifested in nucleotide dimerization and H-D exchange reactions.

    Science.gov (United States)

    Polak, Micha; Rubinovich, Leonid

    2011-10-06

    Nanoconfinement entropic effects on chemical equilibrium involving a small number of molecules, which we term NCECE, are revealed by two widely diverse types of reactions. Employing statistical-mechanical principles, we show how the NCECE effect stabilizes nucleotide dimerization observed within self-assembled molecular cages. Furthermore, the effect provides the basis for dimerization even under an aqueous environment inside the nanocage. Likewise, the NCECE effect is pertinent to a longstanding issue in astrochemistry, namely the extra deuteration commonly observed for molecules reacting on interstellar dust grain surfaces. The origin of the NCECE effect is elucidated by means of the probability distributions of the reaction extent and related variations in the reactant-product mixing entropy. Theoretical modelling beyond our previous preliminary work highlights the role of the nanospace size in addition to that of the nanosystem size, namely the limited amount of molecules in the reaction mixture. Furthermore, the NCECE effect can depend also on the reaction mechanism, and on deviations from stoichiometry. The NCECE effect, leading to enhanced, greatly variable equilibrium "constants", constitutes a unique physical-chemical phenomenon, distinguished from the usual thermodynamical properties of macroscopically large systems. Being significant particularly for weakly exothermic reactions, the effects should stabilize products in other closed nanoscale structures, and thus can have notable implications for the growing nanotechnological utilization of chemical syntheses conducted within confined nanoreactors.

  18. Characterization of oligosaccharides with capillary high performance anion exchange chromatography hyphenated to pulsed amperometric detection and ion trap mass spectrometry : application to the analysis of human lysosomal disorders

    NARCIS (Netherlands)

    Bruggink, Cornelis

    The development of a capillary ion chromatograph is described together with a matching desalter. This desalter made it possible to use on-line a mass spectrometer. The mass spectrometer enables partly to characterize carbohydrates eluting from the anion exchange column. This separation technology is

  19. Large source test stand for H-(D-) ion source

    International Nuclear Information System (INIS)

    Larson, R.; McKenzie-Wilson, R.

    1981-01-01

    The Brookhaven National Laboratory Neutral Beam Group has constructed a large source test stand for testing of the various source modules under development. The first objective of the BNL program is to develop a source module capable of delivering 10A of H - (D - ) at 25 kV operating in the steady state mode with satisfactory gas and power efficiency. The large source test stand contains gas supply and vacuum pumping systems, source cooling systems, magnet power supplies and magnet cooling systems, two arc power supplies rated at 25 kW and 50 kW, a large battery driven power supply and an extractor electrode power supply. Figure 1 is a front view of the vacuum vessel showing the control racks with the 36'' vacuum valves and refrigerated baffles mounted behind. Figure 2 shows the rear view of the vessel with a BNL Mk V magnetron source mounted in the source aperture and also shows the cooled magnet coils. Currently two types of sources are under test: a large magnetron source and a hollow cathode discharge source

  20. Probing conserved helical modules of portal complexes by mass spectrometry-based hydrogen/deuterium exchange.

    Science.gov (United States)

    Kang, Sebyung; Poliakov, Anton; Sexton, Jennifer; Renfrow, Matthew B; Prevelige, Peter E

    2008-09-05

    The Double-stranded DNA bacteriophage P22 has a ring-shaped dodecameric complex composed of the 84 kDa portal protein subunit that forms the central channel of the phage DNA packaging motor. The overall morphology of the P22 portal complex is similar to that of the portal complexes of Phi29, SPP1, T3, T7 phages and herpes simplex virus. Secondary structure prediction of P22 portal protein and its threading onto the crystal structure of the Phi29 portal complexes suggested that the P22 portal protein complex shares conserved helical modules that were found in the dodecameric interfaces of the Phi29 portal complex. To identify the amino acids involved in intersubunit contacts in the P22 portal ring complexes and validate the threading model, we performed comparative hydrogen/deuterium exchange analysis of monomeric and in vitro assembled portal proteins of P22 and the dodecameric Phi29 portal. Hydrogen/deuterium exchange experiments provided evidence of intersubunit interactions in the P22 portal complex similar to those in the Phi29 portal that map to the regions predicted to be conserved helical modules.

  1. Coulomb drag in electron-hole bilayer: Mass-asymmetry and exchange correlation effects

    Science.gov (United States)

    Arora, Priya; Singh, Gurvinder; Moudgil, R. K.

    2018-04-01

    Motivated by a recent experiment by Zheng et al. [App. Phys. Lett. 108, 062102 (2016)] on coulomb drag in electron-hole and hole-hole bilayers based on GaAs/AlGaAs semiconductor heterostructure, we investigate theoretically the influence of mass-asymmetry and temperature-dependence of correlations on the drag rate. The correlation effects are dealt with using the Vignale-Singwi effective inter-layer interaction model which includes correlations through local-field corrections to the bare coulomb interactions. However, in this work, we have incorporated only the intra-layer correlations using the temperature-dependent Hubbard approximation. Our results display a reasonably good agreement with the experimental data. However, it is crucial to include both the electron-hole mass-asymmetry and temperature-dependence of correlations. Mass-asymmetry and correlations are found to result in a substantial enhancement of drag resistivity.

  2. Meson exchange second class currents and the neutrino mass in the muon capture by light nuclei

    International Nuclear Information System (INIS)

    Katkhat, Ch.L.

    1988-01-01

    Influence of the Kubodera-Delorme-Rho model parameters (ζ and ξ), the scalar form factor (F s ) and the muonic neutrino rest mass (m νμ ) on the asymmetry coefficient (α μν ) of neutrino emission with respect to the muon spin orientation in the muon capture by light nuclei is analyzed. It is shown, that the mass m νμ , the parameters of ζ and ξ, and the form factor F s may be estimated by studying the coefficient α μν in O -> O, Gamov-Teller, and mixed transitions, respectively

  3. Effective Removal of Nonionic Detergents in Protein Mass Spectrometry, Hydrogen/Deuterium Exchange, and Proteomics

    Czech Academy of Sciences Publication Activity Database

    Rey, M.; Mrázek, H.; Pompach, Petr; Novák, P.; Pelosi, L.; Brandolin, G.; Forest, E.; Havlíček, Vladimír; Man, P.

    2010-01-01

    Roč. 82, č. 12 (2010), s. 5107-5116 ISSN 0003-2700 R&D Projects: GA AV ČR KJB500200612; GA MŠk LC545 Institutional research plan: CEZ:AV0Z50200510 Keywords : mass spectrometry * proteomics * peptides Subject RIV: CE - Biochemistry Impact factor: 5.874, year: 2010

  4. qcML : an exchange format for quality control metrics from mass spectrometry experiments

    NARCIS (Netherlands)

    Walzer, Mathias; Pernas, Lucia Espona; Nasso, Sara; Bittremieux, Wout; Nahnsen, Sven; Kelchtermans, Pieter; Pichler, Peter; van den Toorn, Henk W P|info:eu-repo/dai/nl/31093205X; Staes, An; Vandenbussche, Jonathan; Mazanek, Michael; Taus, Thomas; Scheltema, Richard A; Kelstrup, Christian D; Gatto, Laurent; van Breukelen, Bas|info:eu-repo/dai/nl/244219087; Aiche, Stephan; Valkenborg, Dirk; Laukens, Kris; Lilley, Kathryn S; Olsen, Jesper V; Heck, Albert J R|info:eu-repo/dai/nl/105189332; Mechtler, Karl; Aebersold, Ruedi; Gevaert, Kris; Vizcaíno, Juan Antonio; Hermjakob, Henning; Kohlbacher, Oliver; Martens, Lennart

    Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data

  5. A Coupled Korteweg-de Vries System and Mass Exchanges among Solitons

    DEFF Research Database (Denmark)

    Miller, P. D.; Christiansen, Peter Leth

    2000-01-01

    V and the solution of a linear equation with nonconstant coefficients. The coupled KdV system may be viewed as a phenomenological model for the sharing of mass among interacting solitons of the (one-component) KdV equation. Results for the scattering theory of solutions of the nonconstant coefficient linear equation...

  6. Estimation of air-water gas exchange coefficient in a shallow lagoon based on 222Rn mass balance.

    Science.gov (United States)

    Cockenpot, S; Claude, C; Radakovitch, O

    2015-05-01

    The radon-222 mass balance is now commonly used to quantify water fluxes due to Submarine Groundwater Discharge (SGD) in coastal areas. One of the main loss terms of this mass balance, the radon evasion to the atmosphere, is based on empirical equations. This term is generally estimated using one among the many empirical equations describing the gas transfer velocity as a function of wind speed that have been proposed in the literature. These equations were, however, mainly obtained from areas of deep water and may be less appropriate for shallow areas. Here, we calculate the radon mass balance for a windy shallow coastal lagoon (mean depth of 6m and surface area of 1.55*10(8) m(2)) and use these data to estimate the radon loss to the atmosphere and the corresponding gas transfer velocity. We present new equations, adapted to our shallow water body, to express the gas transfer velocity as a function of wind speed at 10 m height (wind range from 2 to 12.5 m/s). When compared with those from the literature, these equations fit particularly well with the one of Kremer et al. (2003). Finally, we emphasize that some gas transfer exchange may always occur, even for conditions without wind. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Hydrothermal alteration and mass exchange in the hornblende latite porphyry, Rico, Colorado

    Science.gov (United States)

    Larson, P.B.; Cunningham, C.G.; Naeser, C.W.

    1994-01-01

    The Rico paleothermal anomaly, southwestern Colorado, records the effects of a large hydrothermal system that was active at 4 Ma. This hydrothermal system produced the deep Silver Creek stockwork Mo deposit, which formed above the anomaly's heat source, and shallower base and precious-metal vein and replacement deposits. A 65 Ma hornblende latite porphyry is present as widespread sills throughout the area and provided a homogenous material that recorded the effects of the hydrothermal system up to 8 km from the center. Hydrothermal alteration in the latite can be divided into a proximal facies which consists of two assemblages, quartz-illite-calcite and chlorite-epidote, and a distal facies which consists of a distinct propylitic assemblage. Temperatures were gradational vertically and laterally in the anomaly, and decreased away from the centra heat source. A convective hydrothermal plume, 3 km wide and at least 2 km high, was present above the stock-work molybdenum deposit and consisted of upwelling, high-temperature fluids that produced the proximal alteration facies. Distal facies alteration was produced by shallower cooler fluids. The most important shallow base and precious-metal vein deposits in the Rico district are at or close to the boundary of the thermal plume. Latite within the plume had a large loss of Na2O, large addition of CaO, and variable SiO2 exchante. Distal propylitized latite samples lost small amounts of Na2O and CaO and exchanged minor variable amounts of SiO2. The edge of the plume is marked by steep Na2O exchange gradients. Na2O exchange throughout the paleothermal anomaly was controlled by the reaction of the albite components in primary plagioclase and alkali feldspars. Initial feldspar alteration in the distal facies was dominated by reaction of the plagioclase, and the initial molar ratio of reactants (alkali feldspar albite component to plagioclase albite component) was 0.35. This ratio of the moles of plagioclase to alkali feldspar

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

    Science.gov (United States)

    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

  9. Supercritical fluid chromatography coupled with in-source atmospheric pressure ionization hydrogen/deuterium exchange mass spectrometry for compound speciation.

    Science.gov (United States)

    Cho, Yunju; Choi, Man-Ho; Kim, Byungjoo; Kim, Sunghwan

    2016-04-29

    An experimental setup for the speciation of compounds by hydrogen/deuterium exchange (HDX) with atmospheric pressure ionization while performing chromatographic separation is presented. The proposed experimental setup combines the high performance supercritical fluid chromatography (SFC) system that can be readily used as an inlet for mass spectrometry (MS) and atmospheric pressure photo ionization (APPI) or atmospheric pressure chemical ionization (APCI) HDX. This combination overcomes the limitation of an approach using conventional liquid chromatography (LC) by minimizing the amount of deuterium solvents used for separation. In the SFC separation, supercritical CO2 was used as a major component of the mobile phase, and methanol was used as a minor co-solvent. By using deuterated methanol (CH3OD), AP HDX was achieved during SFC separation. To prove the concept, thirty one nitrogen- and/or oxygen-containing standard compounds were analyzed by SFC-AP HDX MS. The compounds were successfully speciated from the obtained SFC-MS spectra. The exchange ions were observed with as low as 1% of CH3OD in the mobile phase, and separation could be performed within approximately 20min using approximately 0.24 mL of CH3OD. The results showed that SFC separation and APPI/APCI HDX could be successfully performed using the suggested method. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jia; Harrison, Rane A.; Li, Lianbo; Zeng, Mei; Gondi, Sudershan; Scott, David; Gray, Nathanael S.; Engen, John R.; Westover, Kenneth D. (NEU); (DFCI); (UTSMC); (Harvard-Med)

    2017-09-01

    KRAS G12C, the most common RAS mutation found in non-small-cell lung cancer, has been the subject of multiple recent covalent small-molecule inhibitor campaigns including efforts directed at the guanine nucleotide pocket and separate work focused on an inducible pocket adjacent to the switch motifs. Multiple conformations of switch II have been observed, suggesting that switch II pocket (SIIP) binders may be capable of engaging a range of KRAS conformations. Here we report the use of hydrogen/deuterium-exchange mass spectrometry (HDX MS) to discriminate between conformations of switch II induced by two chemical classes of SIIP binders. We investigated the structural basis for differences in HDX MS using X-ray crystallography and discovered a new SIIP configuration in response to binding of a quinazoline chemotype. These results have implications for structure-guided drug design targeting the RAS SIIP.

  11. Analysis of two-phase flow inter-subchannel mass and momentum exchanges by the two-fluid model approach

    Energy Technology Data Exchange (ETDEWEB)

    Ninokata, H. [Tokyo Institute of Technology (Japan); Deguchi, A. [ENO Mathematical Analysis, Tokyo (Japan); Kawahara, A. [Kumamoto Univ., Kumamoto (Japan)

    1995-09-01

    A new void drift model for the subchannel analysis method is presented for the thermohydraulics calculation of two-phase flows in rod bundles where the flow model uses a two-fluid formulation for the conservation of mass, momentum and energy. A void drift model is constructed based on the experimental data obtained in a geometrically simple inter-connected two circular channel test sections using air-water as working fluids. The void drift force is assumed to be an origin of void drift velocity components of the two-phase cross-flow in a gap area between two adjacent rods and to overcome the momentum exchanges at the phase interface and wall-fluid interface. This void drift force is implemented in the cross flow momentum equations. Computational results have been successfully compared to experimental data available including 3x3 rod bundle data.

  12. Energy performance of an innovative liquid desiccant dehumidification system with a counter-flow heat and mass exchanger using potassium formate

    DEFF Research Database (Denmark)

    Jradi, Muhyiddine; Riffat, Saffa

    2014-01-01

    An innovative micro-scale liquid desiccant dehumidification system is numerically investigated. The liquid desiccant dehumidification unit employs a counter-flow low-cost and efficient heat and mass exchange core, improving the thermal performance and eliminating desiccant carryover...... that the dehumidifier effectiveness is directly proportional to the intake air temperature, intake air relative humidity and liquid desiccant flow rate where the effectiveness is inversely proportional to the intake air velocity and the heat exchanger air channel height....

  13. Hydrogen/deuterium exchange, a unique and effective method for MS fragmentation behavior elucidation of ginkgolides and its application to systematic research in Ginkgo biloba.

    Science.gov (United States)

    Niu, Xingliang; Luo, Jun; Xu, Deran; Zou, Hongyan; Kong, Lingyi

    2017-02-05

    Ginkgolides, the main active constituents of Ginkgo biloba, possess significant selectively inhibition on platelet-activating factor and pancreatic lipase and attract wide attention in pharmacological research area. In our study, an effective hydrogen/deuterium (H/D) exchange method was developed by exchanging the α-Hs of lactone groups in ginkgolides with Ds, which was very useful for the elucidation of the fragmentation patterns of ginkgolides in Quadrupole Time-of-flight Mass Spectrometry (Q-TOF-MS), especially in accurately distinguishing the type and position of substituent in framework of ginkgolides. Then, a systematic research strategy for qualitative and quantitative analysis of ginkgolides, based on H/D exchange, tandem solid-phase extraction and LC-Q-TOF-MS, was developed, which was successfully applied in each medicinal part of G. biloba, which indicated that ginkgolide B was the most abundant ginkgolide in the seeds of G. biloba (60.6μg/g). This research was the successful application of H/D exchange in natural products, and proved that H/D exchange is a potential method for analysis research of complex TCMs active constituents. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Computation of fluid flow in distending tunnels with mass, momentum and energy exchange with the walls

    Energy Technology Data Exchange (ETDEWEB)

    Maw, J R [AWRE, Aldermaston (United Kingdom)

    1970-05-01

    When calculating the effects of an underground explosion it may be useful to be able to calculate the flow of the very hot gaseous products along pipes or tunnels. For example it might be possible to treat a fault in the surrounding rock as an idealised pipe forced open by the high pressure generated by the explosion. Another possibility might be the use of a specially constructed tunnel to channel the energy released in some preferred direction. In such cases the gas flow is complicated by several phenomena. The cross section of the pipe may vary with axial distance and also distend with time. Heat will be lost to the walls of the pipe which may be ablated leading to entrainment of wall material into the gas flow. In addition wall friction will tend to retard the flow. This paper describes a simple computer program, HAT, which was written to calculate such flows. The flow is assumed to be quasi-one-dimensional in that flow quantities such as pressure density and axial velocity do not vary across the pipe. However the radius of the pipe may vary both with axial distance and with time. Sources, or sinks of mass, momentum and energy are included in the governing equations which allow simulation of the phenomena described above. The governing equations are derived in Eulerian form and approximated using an extension of the finite difference scheme of Lax. A brief outline of the computational procedure is given. To demonstrate the capabilities and assess the accuracy of the program two simple problems are calculated using HAT (i) The motion of a shock along a converging pipe. (ii) The effect of mass addition through the walls on the motion of a shock along a uniform pipe. In both cases results obtained using HAT are compared with theoretical analyses of the motion.

  15. Two-step ion-exchange chromatographic purification combined with reversed-phase chromatography to isolate C-peptide for mass spectrometric analysis.

    Science.gov (United States)

    Kabytaev, Kuanysh; Durairaj, Anita; Shin, Dmitriy; Rohlfing, Curt L; Connolly, Shawn; Little, Randie R; Stoyanov, Alexander V

    2016-02-01

    A liquid chromatography with mass spectrometry on-line platform that includes the orthogonal techniques of ion exchange and reversed phase chromatography is applied for C-peptide analysis. Additional improvement is achieved by the subsequent application of cation- and anion-exchange purification steps that allow for isolating components that have their isoelectric points in a narrow pH range before final reversed-phase mass spectrometry analysis. The utility of this approach for isolating fractions in the desired "pI window" for profiling complex mixtures is discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Applicability of ambient dose equivalent H*(d) in mixed radiation fields - a critical discussion

    International Nuclear Information System (INIS)

    Hajek, M.; Vana, N.

    2004-01-01

    For purposes of routine radiation protection, it is desirable to characterize the potential irradiation of individuals in terms of a single dose equivalent quantity that would exist in a phantom approximating the human body. The phantom of choice is the ICRU sphere made of 30 cm diameter tissue-equivalent plastic with a density of 1 g.cm-3 and a mass composition of 76.2 % O, 11.1 % C, 10.1 % H and 2.6 % N. Ambient dose equivalent, H*(d), was defined in ICRU report 51 as the dose equivalent that would be produced by an expanded and aligned radiation field at a depth d in the ICRU sphere. The recommended reference depths are 10 mm for strongly penetrating radiation and 0.07 mm for weakly penetrating radiation, respectively. As an operational quantity in radiation protection, H*(d) shall serve as a conservative and directly measurable estimate of protection quantities, e.g. effective dose E, which in turn are intended to give an indication of the risk associated with radiation exposure. The situation attains increased complexity in radiation environments being composed of a variety of charged and uncharged particles in a broad energetic spectrum. Radiation fields of similarly complex nature are, for example, encountered onboard aircraft and in space. Dose equivalent was assessed as a function of depth in quasi tissue-equivalent spheres by means of thermoluminescent dosemeters evaluated according to the high-temperature ratio (HTR) method. The presented experiments were performed both onboard aircraft and the Russian space station Mir. As a result of interaction processes within the phantom body, the incident primary spectrum may be significantly modified with increasing depth. For the radiation field at aviation altitudes we found the maximum of dose equivalent in a depth of 60 mm which conflicts with the 10 mm value recommended by ICRU. Contrary, for the space radiation environment the maximum dose equivalent was found at the surface of the sphere. This suggests that

  17. Applicability of Ambient Dose Equivalent H (d) in Mixed Radiation Fields - A Critical Discussion

    International Nuclear Information System (INIS)

    Vana, R.; Hajek, M.; Bergerm, T.

    2004-01-01

    For purposes of routine radiation protection, it is desirable to characterize the potential irradiation of individuals in terms of a single dose equivalent quantity that would exist in a phantom approximating the human body. The phantom of choice is the ICRU sphere made of 30 cm diameter tissue-equivalent plastic with a density of 1 g/cm3 and a mass composition of 76.2% O, 11.1% C, 10.1% H and 2.6% N. Ambient dose equivalent, H(d), was defined in ICRU report 51 as the dose equivalent that would be produced by an expanded and aligned radiation field at a depth d in the ICRU sphere. The recommended reference depths are 10 mm for strongly penetrating radiation and 0.07 mm for weakly penetrating radiation, respectively. As an operational quantity in radiation protection, H(d) shall serve as a conservative and directly measurable estimate of protection quantities, e.g. effective dose E, which in turn are intended to give an indication of the risk associated with radiation exposure. The situation attains increased complexity in radiation environments being composed of a variety of charged and uncharged particles in a broad energetic spectrum. Radiation fields of similarly complex nature are, for example, encountered onboard aircraft and in space. Dose equivalent was assessed as a function of depth in quasi tissue-equivalent spheres by means of thermoluminescent dosemeters evaluated according to the high-temperature ratio (HTR) method. The presented experiments were performed both onboard aircraft and the Russian space station Mir. As a result of interaction processes within the phantom body, the incident primary spectrum may be significantly modified with increasing depth. For the radiation field at aviation altitudes we found the maximum of dose equivalent in a depth of 60 mm which conflicts with the 10 mm value recommended by ICRU. Contrary, for the space radiation environment the maximum dose equivalent was found at the surface of the sphere. This suggests that skin

  18. Time resolved investigations on biogenic trace gases exchanges using proton-transfer-reaction mass spectrometry

    International Nuclear Information System (INIS)

    Karl, T.

    2000-02-01

    Volatile organic compounds (VOCs) released from vegetation, including wound-induced VOCs, can have important effects on atmospheric chemistry. The analytical methods for measuring wound-induced VOCs, especially the hexenal family of VOCs (hexenals, hexenols and hexenyl esters) but also compounds like acetaldehyde, are complicated by their chemical instability and the transient nature of their formation after leaf and stem wounding. The goal of this thesis was to assess, quantify and complement our understanding on the origin of tropospheric VOCs. This thesis demonstrates that formation and emission of hexenal family compounds can be monitored on-line using proton-transfer-reaction mass spectrometry (PTR-MS), avoiding the need for preconcentration or chromatography. These measurements revealed the rapid emission of the parent compound, (Z)-3-hexenal, within 1-2 seconds of wounding of leaves from various woody and nonwoody plants, and its metabolites including (E)-2-hexenal, hexenols and hexenyl acetates. Emission of (Z)-3-hexenal from detached, drying leaves averaged 500 μg (gram dry weight)-1. PTR-MS showed to be a useful tool for the analysis of VOC emissions resulting from grazing, herbivory, harvesting and senescing leaves. The release of reactive VOCs during lawn mowing was observed in on-line ambient air measurements in July and August 1998 in the outskirts of Innsbruck. Also obtained were data on emission rates of reactive aldehydes (hexenyl compounds) and other abundant VOCs such as methanol, acetaldehyde and acetone from drying grass in various chamber experiments. Fluxes were measured after cutting of grass using eddy covariance measurements and the micrometeorological gradient method (Obhukov-Similarity-Method). Comparison of data obtained by these different methods showed satisfactory agreement. The highest fluxes for methanol during drying were 5 mg/m2h, for (Z)-3-hexenal 1.5 mg/m2h. Experiments conducted on the Sonnblick Observatory in Fall and Winter

  19. Numerical analysis of the heat and mass transfer processes in selected M-Cycle heat exchangers for the dew point evaporative cooling

    International Nuclear Information System (INIS)

    Pandelidis, Demis; Anisimov, Sergey

    2015-01-01

    Highlights: • The comparative numerical study of the eight M-Cycle heat exchangers was presented. • The mathematical model is compared against the experimental data. • The results show, that the original M-Cycle heat and mass exchanger can be improved. • The effectiveness of the heat and mass exchangers depends strongly on the inlet air parameters. - Abstract: This paper investigates a mathematical simulation of heat and mass transfer in eight different types of the Maisotsenko Cycle (M-Cycle) heat and mass exchangers (HMXs) used for indirect evaporative air cooling. A two-dimensional heat and mass transfer model is developed to perform the thermal calculations of the indirect evaporative cooling process and quantifying the overall performance. The mathematical model was validated against experimental data. A numerical simulation reveals many unique features of the considered HMXs, enabling an accurate prediction of their performance. Results of the model allow for comparison of the analyzed devices in order to improve the performance of the original HMX

  20. Analysis of transient and hysteresis behavior of cross-flow heat exchangers under variable fluid mass flow rate for data center cooling applications

    International Nuclear Information System (INIS)

    Gao, Tianyi; Murray, Bruce; Sammakia, Bahgat

    2015-01-01

    Effective thermal management of data centers is an important aspect of reducing the energy required for the reliable operation of data processing and communications equipment. Liquid and hybrid (air/liquid) cooling approaches are becoming more widely used in today's large and complex data center facilities. Examples of these approaches include rear door heat exchangers, in-row and overhead coolers and direct liquid cooled servers. Heat exchangers are primary components of liquid and hybrid cooling systems, and the effectiveness of a heat exchanger strongly influences the thermal performance of a cooling system. Characterizing and modeling the dynamic behavior of heat exchangers is important for the design of cooling systems, especially for control strategies to improve energy efficiency. In this study, a dynamic thermal model is solved numerically in order to predict the transient response of an unmixed–unmixed crossflow heat exchanger, of the type that is widely used in data center cooling equipment. The transient response to step and ramp changes in the mass flow rate of both the hot and cold fluid is investigated. Five model parameters are varied over specific ranges to characterize the transient performance. The parameter range investigated is based on available heat exchanger data. The thermal response to the magnitude, time period and initial and final conditions of the transient input functions is studied in detail. Also, the hysteresis associated with the fluid mass flow rate variation is investigated. The modeling results and performance data are used to analyze specific dynamic performance of heat exchangers used in practical data center cooling applications. - Highlights: • The transient performance of a crossflow heat exchanger was modeled and studied. • This study provides design information for data center thermal management. • The time constant metric was used to study the impacts of many variable inputs. • The hysteresis behavior

  1. Synthesis of high specific activity [1-3H]-D-glucose

    International Nuclear Information System (INIS)

    Saljoughian, M.; Morimoto, Hiromi; Williams, P.G.; Lee, Hakno

    1991-01-01

    Specifically labeled [1- 3 H]-D-glucose has been used for metabolic and mechanistic studies in erythrocytes. In vitro metabolism of the a and b anomers of the tritiated glucose was readily traced by 3 H NMR spectroscopy. Initial studies used labeled glucose obtained by catalytic exchange labeling (at 4.5-9 Ci/mmole, or 15-30% tritiated at the C-1 position), and this necessitated sample glucose concentrations of 2-4 times physiological. The availability of glucose at maximum specific activity (28.7 Ci/mmole, 100% at the C-1 position) would allow the authors to observe metabolic behavior using 1 mM levels of glucose. Accordingly, they have devised a new route for the synthesis of C-1 tritiated glucose, involving the synthesis of 4,6-O-benzylidene-D-gluconolactone followed by reduction with supertritide. Preliminary work with commercial superdeuteride is complete, and chromatographic and NMR analyses are promising. The analogous tritium reactions are currently underway, and experimental results are presented for all stages of investigation. This strategy should be generally applicable to the labeling of many reducing sugars, with the substrates 2-deoxyglucose and maltotriose being of particular interest to their research

  2. Towards a Theory of Tropical/Midlatitude Mass Exchange from the Earth's Surface through the Stratosphere

    Science.gov (United States)

    Hartley, Dana

    1998-01-01

    The main findings of this research project have been the following: (1) there is a significant feedback from the stratosphere on tropospheric dynamics, and (2) a detailed analysis of the interaction between tropical and polar wave breaking in controlling stratospheric mixing. Two papers are were written and are included. The first paper is titled, "A New Perspective on the Dynamical Link Between the Stratosphere and Troposphere." Atmospheric processes of tropospheric origin can perturb the stratosphere, but direct feedback in the opposite direction is usually assumed to be negligible, despite the troposphere's sensitivity to changes in the release of wave activity into the stratosphere. Here, however, we present evidence that such a feedback exists and can be significant. We find that if the wintertime Arctic polar stratospheric vortex is distorted, either by waves propagating upward from the troposphere or by eastward-travelling stratospheric waves, then there is a concomitant redistribution of stratospheric potential vorticity that induces perturbations in key meteorological fields in the upper troposphere. The feedback is large despite the much greater mass of the troposphere: it can account for up to half of the geopotential height anomaly at the tropopause. Although the relative strength of the feedback is partly due to a cancellation between contributions to these anomalies from lower altitudes, our results imply that stratospheric dynamics and its feedback on the troposphere are more significant for climate modelling and data assimilation than was previously assumed. The second article is titled "Diagnosing the Polar Excitation of Subtropical Waves in the Stratosphere". The poleward migration of planetary scale tongues of subtropical air has often been associated with intense polar vortex disturbances in the stratosphere. This question of vortex influence is reexamined from a potential vorticity (PV) perspective. Anomalous geopotential height and wind fields

  3. Hydrogen-deuterium exchange and mass spectrometry reveal the pH-dependent conformational changes of diphtheria toxin T domain.

    Science.gov (United States)

    Li, Jing; Rodnin, Mykola V; Ladokhin, Alexey S; Gross, Michael L

    2014-11-04

    The translocation (T) domain of diphtheria toxin plays a critical role in moving the catalytic domain across the endosomal membrane. Translocation/insertion is triggered by a decrease in pH in the endosome where conformational changes of T domain occur through several kinetic intermediates to yield a final trans-membrane form. High-resolution structural studies are only applicable to the static T-domain structure at physiological pH, and studies of the T-domain translocation pathway are hindered by the simultaneous presence of multiple conformations. Here, we report the application of hydrogen-deuterium exchange mass spectrometry (HDX-MS) for the study of the pH-dependent conformational changes of the T domain in solution. Effects of pH on intrinsic HDX rates were deconvolved by converting the on-exchange times at low pH into times under our "standard condition" (pH 7.5). pH-Dependent HDX kinetic analysis of T domain clearly reveals the conformational transition from the native state (W-state) to a membrane-competent state (W(+)-state). The initial transition occurs at pH 6 and includes the destabilization of N-terminal helices accompanied by the separation between N- and C-terminal segments. The structural rearrangements accompanying the formation of the membrane-competent state expose a hydrophobic hairpin (TH8-9) to solvent, prepare it to insert into the membrane. At pH 5.5, the transition is complete, and the protein further unfolds, resulting in the exposure of its C-terminal hydrophobic TH8-9, leading to subsequent aggregation in the absence of membranes. This solution-based study complements high resolution crystal structures and provides a detailed understanding of the pH-dependent structural rearrangement and acid-induced oligomerization of T domain.

  4. Hydrogen–Deuterium Exchange and Mass Spectrometry Reveal the pH-Dependent Conformational Changes of Diphtheria Toxin T Domain

    Science.gov (United States)

    2015-01-01

    The translocation (T) domain of diphtheria toxin plays a critical role in moving the catalytic domain across the endosomal membrane. Translocation/insertion is triggered by a decrease in pH in the endosome where conformational changes of T domain occur through several kinetic intermediates to yield a final trans-membrane form. High-resolution structural studies are only applicable to the static T-domain structure at physiological pH, and studies of the T-domain translocation pathway are hindered by the simultaneous presence of multiple conformations. Here, we report the application of hydrogen–deuterium exchange mass spectrometry (HDX-MS) for the study of the pH-dependent conformational changes of the T domain in solution. Effects of pH on intrinsic HDX rates were deconvolved by converting the on-exchange times at low pH into times under our “standard condition” (pH 7.5). pH-Dependent HDX kinetic analysis of T domain clearly reveals the conformational transition from the native state (W-state) to a membrane-competent state (W+-state). The initial transition occurs at pH 6 and includes the destabilization of N-terminal helices accompanied by the separation between N- and C-terminal segments. The structural rearrangements accompanying the formation of the membrane-competent state expose a hydrophobic hairpin (TH8–9) to solvent, prepare it to insert into the membrane. At pH 5.5, the transition is complete, and the protein further unfolds, resulting in the exposure of its C-terminal hydrophobic TH8–9, leading to subsequent aggregation in the absence of membranes. This solution-based study complements high resolution crystal structures and provides a detailed understanding of the pH-dependent structural rearrangement and acid-induced oligomerization of T domain. PMID:25290210

  5. Development and application of out-of-focus imaging in order to characterize heat and mass exchanges in two-phase flows

    International Nuclear Information System (INIS)

    Lemaitre, P.; Porcheron, E.; Marchand, D.; Nuboer, A.; Bouilloux, L.; Vendel, J.

    2007-01-01

    The aim of this paper is to present the capacity of the out-of-focus imaging in order to measure droplets size in presence of heat and mass exchanges. It is supported with optical simulations first based on geometrical optics, and then with the Lorenz-Mie theory. Finally, this technique is applied in presence of heat and mass transfers in the TOSQAN experiment. (authors)

  6. Influence of inlet velocity of air and solid particle feed rate on holdup mass and heat transfer characteristics in cyclone heat exchanger

    International Nuclear Information System (INIS)

    Mothilal, T.; Pitchandi, K.

    2015-01-01

    Present work elaborates the effect of inlet velocity of air and solid particle feed rate on holdup mass and heat transfer characteristics in a cyclone heat exchanger. The RNG k-ε turbulence model was adopted for modeling high turbulence flow and Discrete phase model (DPM) to track solid particles in a cyclone heat exchanger by ANSYS FLUENT software. The effect of inlet air velocity (5 to 25 m/s) and inlet solid particle feed rate of (0.2 to 2.5 g/s) at different particle diameter (300 to 500 μm) on holdup mass and heat transfer rate in cyclone heat exchanger was studied at air inlet temperature of 473 K. Results show that holdup mass and heat transfer rate increase with increase in inlet air velocity and inlet solid particle feed rate. Influence of solid particle feed rate on holdup mass has more significance. Experimental setup was built for high efficiency cyclone. Good agreement was found between experimental and simulation pressure drop. Empirical correlation was derived for dimensionless holdup mass and Nusselt number based on CFD data by regression technique. Correlation predicts dimensional holdup mass with +5% to -8% errors of experimental data and Nusselt number with +9% to -3%

  7. Influence of inlet velocity of air and solid particle feed rate on holdup mass and heat transfer characteristics in cyclone heat exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Mothilal, T. [T. J. S. Engineering College, Gummidipoond (India); Pitchandi, K. [Sri Venkateswara College of Engineering, Sriperumbudur (India)

    2015-10-15

    Present work elaborates the effect of inlet velocity of air and solid particle feed rate on holdup mass and heat transfer characteristics in a cyclone heat exchanger. The RNG k-ε turbulence model was adopted for modeling high turbulence flow and Discrete phase model (DPM) to track solid particles in a cyclone heat exchanger by ANSYS FLUENT software. The effect of inlet air velocity (5 to 25 m/s) and inlet solid particle feed rate of (0.2 to 2.5 g/s) at different particle diameter (300 to 500 μm) on holdup mass and heat transfer rate in cyclone heat exchanger was studied at air inlet temperature of 473 K. Results show that holdup mass and heat transfer rate increase with increase in inlet air velocity and inlet solid particle feed rate. Influence of solid particle feed rate on holdup mass has more significance. Experimental setup was built for high efficiency cyclone. Good agreement was found between experimental and simulation pressure drop. Empirical correlation was derived for dimensionless holdup mass and Nusselt number based on CFD data by regression technique. Correlation predicts dimensional holdup mass with +5% to -8% errors of experimental data and Nusselt number with +9% to -3%.

  8. Selection of greenery plants' group tolerant to mineralized human wastes for their inclusion into intrasystem mass exchange of BTLSS

    Science.gov (United States)

    Tikhomirova, Natalia; Tikhomirov, Alexander A.; Kalacheva, Galina; Ushakova, Sofya; Trifonov, Sergey V.; Pavlova, Anastasiya

    2016-07-01

    A possible way solving the inclusion problem of the human liquid wastes containing sodium chloride into intrasystem mass exchange of bio-technical life support system (BTLSS) is selection of such species of greenery plants that can utilize sodium chloride, be edible for a human and have rather a high productivity. Our previous works showed that salt-accumulating halophyte Salicornia europaea L. was a promising candidate for sodium chloride inclusion into BTLSS mass exchange. However, with the aim of creation of more various human diet possibilities a set of greenery plants cultivated by the water culture method was estimated. Based on preliminary experiments the plants Brassica juncea L., Nasturtium officinale R. Br., Lepidium sativum angustifolia L. and Salicornia europaea L. were chosen as the investigation objects. The nutrient solution for greenery plant's cultivation was obtained after harvesting the wheat plants grown on the solution with mineralized human wastes' addition. The results of the first stage of the investigations carried out showed that plants of Brassica juncea and Lepidium sativum angustifolia are unpromising for their inclusion into BTLSS because of a set of physiological characteristics. On the next stage of investigations, an experimental model of closed ecosystem was created. For that purpose the plants of Salicornia europaea and Nasturtium officinale were introduced in the phototroph unit structure. It was determined that there was deficiency of main macronutrients for Salicornia europaea and Nasturtium officinale including sodium for Salicornia europaea. The deficiency had an effect on plants productivity and on carry-over of sodium from solution by Salicornia europaea. Thus in the future experiment it is necessary to carry out desalinization of solution by Salicornia europaea plants. Nasturtium officinale, that is rich in essential fatty acids and contributes into variety of human vegetable diet is planned to be cultivated by the

  9. The origins of enhanced activity in factor VIIa analogs and the interplay between key allosteric sites revealed by hydrogen exchange mass spectrometry

    DEFF Research Database (Denmark)

    Rand, Kasper D; Andersen, Mette D; Olsen, Ole H

    2008-01-01

    Factor VIIa (FVIIa) circulates in the blood in a zymogen-like state. Only upon association with membrane-bound tissue factor (TF) at the site of vascular injury does FVIIa become active and able to initiate blood coagulation. Here we used hydrogen exchange monitored by mass spectrometry to invest......Factor VIIa (FVIIa) circulates in the blood in a zymogen-like state. Only upon association with membrane-bound tissue factor (TF) at the site of vascular injury does FVIIa become active and able to initiate blood coagulation. Here we used hydrogen exchange monitored by mass spectrometry...... to investigate the conformational effects of site-directed mutagenesis at key positions in FVIIa and the origins of enhanced intrinsic activity of FVIIa analogs. The differences in hydrogen exchange of two highly active variants, FVIIa(DVQ) and FVIIa(VEAY), imply that enhanced catalytic efficiency was attained...

  10. Quantification of genetically modified soya using strong anion exchange chromatography and time-of-flight mass spectrometry.

    Science.gov (United States)

    Chang, Po-Chih; Reddy, P Muralidhar; Ho, Yen-Peng

    2014-09-01

    Stable-isotope dimethyl labeling was applied to the quantification of genetically modified (GM) soya. The herbicide-resistant gene-related protein 5-enolpyruvylshikimate-3-phosphate synthase (CP4 EPSPS) was labeled using a dimethyl labeling reagent, formaldehyde-H2 or -D2. The identification and quantification of CP4 EPSPS was performed using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). The CP4 EPSPS protein was separated from high abundance proteins using strong anion exchange chromatography and sodium dodecyl sulfate-polyacrylamide gel electrophoresis. Then, the tryptic peptides from the samples and reference were labeled with formaldehyde-H2 and formaldehyde-D2, respectively. The two labeled pools were mixed and analyzed using MALDI-MS. The data showed a good correlation between the peak ratio of the H- and D-labeled peptides and the GM soya percentages at 0.5, 1, 3, and 5 %, with R (2) of 0.99. The labeling reagents are readily available. The labeling experiments and the detection procedures are simple. The approach is useful for the quantification of GM soya at a level as low as 0.5 %.

  11. Ion Mobility Spectrometry-Mass Spectrometry Coupled with Gas-Phase Hydrogen/Deuterium Exchange for Metabolomics Analyses

    Science.gov (United States)

    Maleki, Hossein; Karanji, Ahmad K.; Majuta, Sandra; Maurer, Megan M.; Valentine, Stephen J.

    2018-02-01

    Ion mobility spectrometry-mass spectrometry (IMS-MS) in combination with gas-phase hydrogen/deuterium exchange (HDX) and collision-induced dissociation (CID) is evaluated as an analytical method for small-molecule standard and mixture characterization. Experiments show that compound ions exhibit unique HDX reactivities that can be used to distinguish different species. Additionally, it is shown that gas-phase HDX kinetics can be exploited to provide even further distinguishing capabilities by using different partial pressures of reagent gas. The relative HDX reactivity of a wide variety of molecules is discussed in light of the various molecular structures. Additionally, hydrogen accessibility scoring (HAS) and HDX kinetics modeling of candidate ( in silico) ion structures is utilized to estimate the relative ion conformer populations giving rise to specific HDX behavior. These data interpretation methods are discussed with a focus on developing predictive tools for HDX behavior. Finally, an example is provided in which ion mobility information is supplemented with HDX reactivity data to aid identification efforts of compounds in a metabolite extract.

  12. Hexicon 2: automated processing of hydrogen-deuterium exchange mass spectrometry data with improved deuteration distribution estimation.

    Science.gov (United States)

    Lindner, Robert; Lou, Xinghua; Reinstein, Jochen; Shoeman, Robert L; Hamprecht, Fred A; Winkler, Andreas

    2014-06-01

    Hydrogen-deuterium exchange (HDX) experiments analyzed by mass spectrometry (MS) provide information about the dynamics and the solvent accessibility of protein backbone amide hydrogen atoms. Continuous improvement of MS instrumentation has contributed to the increasing popularity of this method; however, comprehensive automated data analysis is only beginning to mature. We present Hexicon 2, an automated pipeline for data analysis and visualization based on the previously published program Hexicon (Lou et al. 2010). Hexicon 2 employs the sensitive NITPICK peak detection algorithm of its predecessor in a divide-and-conquer strategy and adds new features, such as chromatogram alignment and improved peptide sequence assignment. The unique feature of deuteration distribution estimation was retained in Hexicon 2 and improved using an iterative deconvolution algorithm that is robust even to noisy data. In addition, Hexicon 2 provides a data browser that facilitates quality control and provides convenient access to common data visualization tasks. Analysis of a benchmark dataset demonstrates superior performance of Hexicon 2 compared with its predecessor in terms of deuteration centroid recovery and deuteration distribution estimation. Hexicon 2 greatly reduces data analysis time compared with manual analysis, whereas the increased number of peptides provides redundant coverage of the entire protein sequence. Hexicon 2 is a standalone application available free of charge under http://hx2.mpimf-heidelberg.mpg.de.

  13. Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling

    Science.gov (United States)

    Khakinejad, Mahdiar; Ghassabi Kondalaji, Samaneh; Donohoe, Gregory C.; Valentine, Stephen J.

    2016-03-01

    Ion mobility spectrometry (IMS) coupled with gas-phase hydrogen deuterium exchange (HDX)-mass spectrometry (MS) and molecular dynamic simulations (MDS) has been used for structural investigation of anions produced by electrospraying a sample containing a synthetic peptide having the sequence KKDDDDDIIKIIK. In these experiments the potential of the analytical method for locating charge sites on ions as well as for utilizing collision-induced dissociation (CID) to reveal the degree of deuterium uptake within specific amino acid residues has been assessed. For diffuse (i.e., more elongated) [M - 2H]2- ions, decreased deuterium content along with MDS data suggest that the D4 and D6 residues are charge sites, whereas for the more diffuse [M - 3H]3- ions, the data suggest that the D4, D7, and the C-terminus are deprotonated. Fragmentation of mobility-selected, diffuse [M - 2H]2- ions to determine deuterium uptake at individual amino acid residues reveals a degree of deuterium retention at incorporation sites. Although the diffuse [M - 3H]3- ions may show more HD scrambling, it is not possible to clearly distinguish HD scrambling from the expected deuterium uptake based on a hydrogen accessibility model. The capability of the IMS-HDX-MS/MS approach to provide relevant details about ion structure is discussed. Additionally, the ability to extend the approach for locating protonation sites on positively-charged ions is presented.

  14. Hexicon 2: Automated Processing of Hydrogen-Deuterium Exchange Mass Spectrometry Data with Improved Deuteration Distribution Estimation

    Science.gov (United States)

    Lindner, Robert; Lou, Xinghua; Reinstein, Jochen; Shoeman, Robert L.; Hamprecht, Fred A.; Winkler, Andreas

    2014-06-01

    Hydrogen-deuterium exchange (HDX) experiments analyzed by mass spectrometry (MS) provide information about the dynamics and the solvent accessibility of protein backbone amide hydrogen atoms. Continuous improvement of MS instrumentation has contributed to the increasing popularity of this method; however, comprehensive automated data analysis is only beginning to mature. We present Hexicon 2, an automated pipeline for data analysis and visualization based on the previously published program Hexicon (Lou et al. 2010). Hexicon 2 employs the sensitive NITPICK peak detection algorithm of its predecessor in a divide-and-conquer strategy and adds new features, such as chromatogram alignment and improved peptide sequence assignment. The unique feature of deuteration distribution estimation was retained in Hexicon 2 and improved using an iterative deconvolution algorithm that is robust even to noisy data. In addition, Hexicon 2 provides a data browser that facilitates quality control and provides convenient access to common data visualization tasks. Analysis of a benchmark dataset demonstrates superior performance of Hexicon 2 compared with its predecessor in terms of deuteration centroid recovery and deuteration distribution estimation. Hexicon 2 greatly reduces data analysis time compared with manual analysis, whereas the increased number of peptides provides redundant coverage of the entire protein sequence. Hexicon 2 is a standalone application available free of charge under http://hx2.mpimf-heidelberg.mpg.de.

  15. Heat exchanger

    International Nuclear Information System (INIS)

    Drury, C.R.

    1988-01-01

    A heat exchanger having primary and secondary conduits in heat-exchanging relationship is described comprising: at least one serpentine tube having parallel sections connected by reverse bends, the serpentine tube constituting one of the conduits; a group of open-ended tubes disposed adjacent to the parallel sections, the open-ended tubes constituting the other of the conduits, and forming a continuous mass of contacting tubes extending between and surrounding the serpentine tube sections; and means securing the mass of tubes together to form a predetermined cross-section of the entirety of the mass of open-ended tubes and tube sections

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

    Science.gov (United States)

    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

  17. Mass

    International Nuclear Information System (INIS)

    Quigg, Chris

    2007-01-01

    In the classical physics we inherited from Isaac Newton, mass does not arise, it simply is. The mass of a classical object is the sum of the masses of its parts. Albert Einstein showed that the mass of a body is a measure of its energy content, inviting us to consider the origins of mass. The protons we accelerate at Fermilab are prime examples of Einsteinian matter: nearly all of their mass arises from stored energy. Missing mass led to the discovery of the noble gases, and a new form of missing mass leads us to the notion of dark matter. Starting with a brief guided tour of the meanings of mass, the colloquium will explore the multiple origins of mass. We will see how far we have come toward understanding mass, and survey the issues that guide our research today.

  18. Hydrogen/deuterium exchange of cross-linkable alpha-amino acid derivatives in deuterated triflic acid

    OpenAIRE

    Wang, Lei; Murai, Yuta; Yoshida, Takuma; Okamoto, Masashi; Masuda, Katsuyoshi; Sakihama, Yasuko; Hashidoko, Yasuyuki; Hatanaka, Yasumaru; Hashimoto, Makoto

    2014-01-01

    In this paper we report here a hydrogen/deuterium exchange (H/D exchange) of cross-linkable alpha-amino acid derivatives with deuterated trifluoromethanesulfonic acid (TfOD). H/D exchange with TfOD was easily applied to o-catechol containing phenylalanine (DOPA) within an hour. A partial H/D exchange was observed for trifluoromethyldiazirinyl (TFMD) phenylalanine derivatives. N-Acetyl-protected natural aromatic alpha-amino acids (Tyr and Trp) were more effective in H/D exchange than unprotect...

  19. Assessment of the uncertainties in air mass and pollutants transboundary exchange over the continental part of the EANET region

    Science.gov (United States)

    Gromov, Sergey S.; Trifonova-Yakovleva, Alisa; Gromov, Sergey A.

    2017-04-01

    In this study, we attempt to quantify the uncertainties in air mass exchange in the lower troposphere across two regions of the Russian border in Eastern Siberia and the Russian Far East in 2000-2015. We use meteorological data from long-term air sound data (ASD) on mean layer winds [1] and from the ERA INTERIM re-analysis (EIR) project [2]. Using a transboundary exchange model, we estimate the total and net amounts of air crossing the boundary segments around Irkutsk (IR) and Vladivostok (VL) aerological stations. We compare transport terms derived (i) from the long-term wind statistics based on both ASD and EIR data, and (ii) from integrating 6h meteorological winds from EIR directly over the border segments cells. We find similar wind direction statistics in both meteorological datasets, however EIR favours stronger westerly winds at VL in summer, which results in more often air export from China to Russia in the Far East. There is less agreement on the wind strengths than wind directions between the datasets, with EIR often providing slower wind speeds. The resulting climatic (ASD) and directly (from EIR 6h terms) calculated non-equilibrium (net) transport terms are comparable in orders (tens of million km3/month), however may differ substantially in temporal evolution or/and magnitude. Thus, EIR net transport over the IR segment has similar annual dynamics but is higher by a factor of ˜ 4 (maxima of 3.6 vs. 12 of 106 km3/month in December, respectively). An opposite ratio is derived for the VL segment (average ˜ 6 vs. 13 of 106 km3/month), with a distinct seasonality in the ASD but not in the EIR data. We attribute this discrepancy to the variations in wind direction with altitude, which cannot be resolved in the model fed with the ASD data. Calculated transport in the boundary layer (BL, provided by the EIR) supports this inference. Thus, the BL net transport temporal dynamics differ substantially from that within the 3 km layer, owing to the BL diurnal

  20. The study on water ingress mass in the steam generator heat-exchange tube rupture accident of modular high temperature gas-cooled reactor

    International Nuclear Information System (INIS)

    Wang Yan; Shi Lei; Li Fu; Zheng Yanhua

    2012-01-01

    The steam generator heat-exchange tube rupture (SGTR) accident is an important and particular accident which will result in water ingress to the primary loop of reactor. Water ingress will result in chemical reaction of graphite fuel and structure with water, which may cause overpressure due to generation of explosive gaseous in large quantity. The study on the water ingress accident is significant for the verification of the inherent characteristics of high temperature gas-cooled reactor. The previous research shows that the amount of water ingress mass is the dominant key factor on the severity of the accident consequence. The 200 MWe high temperature gas-cooled reactor (HTR-PM), which is the first modular pebble-bed high temperature gas-cooled reactor in China designed by the Institute of Nuclear and New Energy Technology of Tsinghua University, is selected to be analyzed in this paper. The different DBA accident scenarios of double-ended break of single heat-exchange tube are simulated respectively by the thermal-hydraulic analysis code RETRAN-02. The results show the water ingress mass through the broken heat-exchange tube is related to the break location. The amount of water ingress mass is affected obviously by the capacity of the emptier system. With the balance of safety and economical efficiency, the amount of water ingress mass from the secondary side of steam generator into the primary coolant loop will be reduced by increasing properly the diameter of the draining lines. (authors)

  1. Isotope exchange reaction in Li2ZrO3 packed bed

    International Nuclear Information System (INIS)

    Kawamura, Y.; Enoeda, M.; Okuno, K.

    1998-01-01

    To understand the release behavior of bred tritium in a solid breeder blanket, the tritium transfer rate and tritium inventory for various mass transfer processes should be investigated. The contribution of the surface reactions (adsorption, desorption and two kinds of isotope exchange reactions) to the release process cannot be ignored. It is believed that two kinds of isotope exchange reactions (gaseous hydrogen-tritiated water and water vapor-tritiated water) occur on the surface of the solid breeder materials when hydrogen is added to the sweep gas to enhance the tritium release rate. The isotope exchange reaction study in H-D systems was carried out using a Li 2 ZrO 3 packed bed. The exchange reaction between gaseous hydrogen and water was the rate controlling step among the two kinds of exchange reactions. The reaction rate constants were quantified, and experimental equations were proposed. The equilibrium constant of the isotope exchange reaction in the H-D system was obtained from experimental data and was found to be 1.17. (orig.)

  2. Evapotranspiration: A process driving mass transport and energy exchange in the soil-plant-atmosphere-climate system

    Science.gov (United States)

    Katul, Gabriel G.; Oren, Ram; Manzoni, Stefano; Higgins, Chad; Parlange, Marc B.

    2012-09-01

    The role of evapotranspiration (ET) in the global, continental, regional, and local water cycles is reviewed. Elevated atmospheric CO2, air temperature, vapor pressure deficit (D), turbulent transport, radiative transfer, and reduced soil moisture all impact biotic and abiotic processes controlling ET that must be extrapolated to large scales. Suggesting a blueprint to achieve this link is the main compass of this review. Leaf-scale transpiration (fe) as governed by the plant biochemical demand for CO2 is first considered. When this biochemical demand is combined with mass transfer formulations, the problem remains mathematically intractable, requiring additional assumptions. A mathematical "closure" that assumes stomatal aperture is autonomously regulated so as to maximize the leaf carbon gain while minimizing water loss is proposed, which leads to analytical expressions for leaf-scale transpiration. This formulation predicts well the effects of elevated atmospheric CO2 and increases in D on fe. The case of soil moisture stress is then considered using extensive gas exchange measurements collected in drought studies. Upscaling the fe to the canopy is then discussed at multiple time scales. The impact of limited soil water availability within the rooting zone on the upscaled ET as well as some plant strategies to cope with prolonged soil moisture stress are briefly presented. Moving further up in direction and scale, the soil-plant system is then embedded within the atmospheric boundary layer, where the influence of soil moisture on rainfall is outlined. The review concludes by discussing outstanding challenges and how to tackle them by means of novel theoretical, numerical, and experimental approaches.

  3. Hydrogen-Deuterium Exchange Mass Spectrometry Reveals Calcium Binding Properties and Allosteric Regulation of Downstream Regulatory Element Antagonist Modulator (DREAM).

    Science.gov (United States)

    Zhang, Jun; Li, Jing; Craig, Theodore A; Kumar, Rajiv; Gross, Michael L

    2017-07-18

    Downstream regulatory element antagonist modulator (DREAM) is an EF-hand Ca 2+ -binding protein that also binds to a specific DNA sequence, downstream regulatory elements (DRE), and thereby regulates transcription in a calcium-dependent fashion. DREAM binds to DRE in the absence of Ca 2+ but detaches from DRE under Ca 2+ stimulation, allowing gene expression. The Ca 2+ binding properties of DREAM and the consequences of the binding on protein structure are key to understanding the function of DREAM. Here we describe the application of hydrogen-deuterium exchange mass spectrometry (HDX-MS) and site-directed mutagenesis to investigate the Ca 2+ binding properties and the subsequent conformational changes of full-length DREAM. We demonstrate that all EF-hands undergo large conformation changes upon calcium binding even though the EF-1 hand is not capable of binding to Ca 2+ . Moreover, EF-2 is a lower-affinity site compared to EF-3 and -4 hands. Comparison of HDX profiles between wild-type DREAM and two EF-1 mutated constructs illustrates that the conformational changes in the EF-1 hand are induced by long-range structural interactions. HDX analyses also reveal a conformational change in an N-terminal leucine-charged residue-rich domain (LCD) remote from Ca 2+ -binding EF-hands. This LCD domain is responsible for the direct interaction between DREAM and cAMP response element-binding protein (CREB) and regulates the recruitment of the co-activator, CREB-binding protein. These long-range interactions strongly suggest how conformational changes transmit the Ca 2+ signal to CREB-mediated gene transcription.

  4. Effective Application of Bicelles for Conformational Analysis of G Protein-Coupled Receptors by Hydrogen/Deuterium Exchange Mass Spectrometry

    Science.gov (United States)

    Duc, Nguyen Minh; Du, Yang; Thorsen, Thor S.; Lee, Su Youn; Zhang, Cheng; Kato, Hideaki; Kobilka, Brian K.; Chung, Ka Young

    2015-05-01

    G protein-coupled receptors (GPCRs) have important roles in physiology and pathology, and 40% of drugs currently on the market target GPCRs for the treatment of various diseases. Because of their therapeutic importance, the structural mechanism of GPCR signaling is of great interest in the field of drug discovery. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is a useful tool for analyzing ligand binding sites, the protein-protein interaction interface, and conformational changes of proteins. However, its application to GPCRs has been limited for various reasons, including the hydrophobic nature of GPCRs and the use of detergents in their preparation. In the present study, we tested the application of bicelles as a means of solubilizing GPCRs for HDX-MS studies. GPCRs (e.g., β2-adrenergic receptor [β2AR], μ-opioid receptor, and protease-activated receptor 1) solubilized in bicelles produced better sequence coverage (greater than 90%) than GPCRs solubilized in n-dodecyl-β-D-maltopyranoside (DDM), suggesting that bicelles are a more effective method of solubilization for HDX-MS studies. The HDX-MS profile of β2AR in bicelles showed that transmembrane domains (TMs) undergo lower deuterium uptake than intracellular or extracellular regions, which is consistent with the fact that the TMs are highly ordered and embedded in bicelles. The overall HDX-MS profiles of β2AR solubilized in bicelles and in DDM were similar except for intracellular loop 3. Interestingly, we detected EX1 kinetics, an important phenomenon in protein dynamics, at the C-terminus of TM6 in β2AR. In conclusion, we suggest the application of bicelles as a useful method for solubilizing GPCRs for conformational analysis by HDX-MS.

  5. H(D) and 1ΔN(D) isotope effects on nuclear shielding of ammonium ions in complexes with crown ethers and cryptands

    International Nuclear Information System (INIS)

    Hansen, P.E.; Hansen, Aa.E.; Lycka, A.; Buvari-Barcza, A.

    1993-01-01

    One-bond deuterium isotope effects on nitrogen nuclear shielding, 1 ΔN(D) and two-bond isotope effects at 1 H nuclear shielding, 2 ΔH(D), have been investigated in a series of inclusion complexes. The hosts comprise, SC-24, [2.2.2], [2.2.1], [2.2.1] D, [2.2] DD, K5, 18-crown-6 and 18-crown-6 tetracarboxylic acid. The structure of the host [2.2.1] is discussed based on isotope effects and 1 H chemical shifts, and an interesting exchange reaction is observed between CDCl 3 and ammonium ions in the [2.2.1] complex. The counterion dependence is shown to be zero for ammonium ions fully included in cages such as SC-24 and [2.2.2] and for 18-C-6(COOH) 4 . For cryptands and podands such as [2.2.1] and K5 a weak counterion dependence of 2 ΔH(D) opposite to that found for ammonium ions in water is observed, while 1 ΔN(D) and 15 N chemical shifts depend very strongly on the counterions, as also found for ammonium ions in water solution. The anilinium ion shows effects similar to those observed for the ammonium ion. 1 ΔN(D) isotope effects correlate well with δN and 2 ΔH(D) correlate with δNH. The correlation between 1 ΔN(D) and 2 ΔH(D) is different for ammonium ions in water and ions included in crowns, cryptands or podands. This shows that different mechanisms are operating. The 2 ΔH(D) isotope effects and δNH chemical shifts depend on the distance to the nearest acceptor (oxygen or nitrogen), and they also depend on the type of acceptor. 2 ΔH(D) isotope effects are found to be a good gauge of N ... N or N ... O distances of the inclusion complexes. The 2 ΔH(D) isotope effects vary with temperature, but the dramatic changes in the 1 H NMR spectra of the host are not reflected in the isotope effects. The one-bond couplings, 1 J(N,H), correlate with 2 ΔH(D). The variations are much larger for the cryptands than found in water solutions. (au) (50 refs.)

  6. Simultaneous determination of 13 carbohydrates using high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry.

    Science.gov (United States)

    Zhao, Dan; Feng, Feng; Yuan, Fei; Su, Jin; Cheng, Yan; Wu, Hanqiu; Song, Kun; Nie, Bo; Yu, Lian; Zhang, Feng

    2017-04-01

    A simple, accurate, and highly sensitive method was developed for the determination of 13 carbohydrates in polysaccharide of Spirulina platensis based on high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry. Samples were extracted with deionized water using ultrasonic-assisted extraction, and the ultrasound-assisted extraction conditions were optimized by Box-Behnken design. Then the extracted polysaccharide was hydrolyzed by adding 1 mol/L trifluoroacetic acid before determination by high-performance anion-exchange chromatography coupled with pulsed amperometric detection and confirmed by high-performance anion-exchange chromatography coupled with mass spectrometry. The high-performance anion-exchange chromatography coupled with pulsed amperometric detection method was performed on a CarboPac PA20 column by gradient elution using deionized water, 0.1 mol/L sodium hydroxide solution, and 0.4 mol/L sodium acetate solution. Excellent linearity was observed in the range of 0.05-10 mg/L. The average recoveries ranged from 80.7 to 121.7%. The limits of detection and limits of quantification for 13 carbohydrates were 0.02-0.10 and 0.2-1.2  μg/kg, respectively. The developed method has been successfully applied to ambient samples, and the results indicated that high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry could provide a rapid and accurate method for the simultaneous determination of carbohydrates. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    DEFF Research Database (Denmark)

    Seger, Signe T; Breinholt, Jens; Faber, Johan H

    2015-01-01

    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 spectrom......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...

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

    International Nuclear Information System (INIS)

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

    1980-01-01

    The subject of this work is H-D exchange in certain gaseous anions using D 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) - and (2M - 1) - ions of ethylene glycol, 1,3-propanediol, and 1,4-butanediol. The amount of exchange occurring is 3-8 times greater in (2M - 1) - than in (M - 1) - . The amount of H-D exchange occurring in ethanol, 1-propanol, and 1-butanol is small or zero in the (2M - 1) - ions and in the (M - 1) - ion for 1-butanol [the only (M - 1) - ion which could be examined experimentally]. The amount of exchange occurring in the (2M - 1) - and (M - 1) - 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

  9. NMR structural studies of the ionizing radiation adduct 7-hydro-8-oxodeoxyguanosine (8-oxo-7H-dG) opposite deoxyadenosine in a DNA duplex. 8-oxo-7H-dG(syn)·dA(anti) alignment at lesion site

    International Nuclear Information System (INIS)

    Kouchakdjian, M.; Patel, D.J.; Bodepudi, V.; Shibutani, S.; Eisenberg, M.; Johnson, F.; Grollman, A.P.

    1991-01-01

    Proton NMR studies are reported on the complementary d(C1-C2-A3-C4-T5-A6-oxo-G7-T8-C9-A10-C11-C12)·d(G13-G14-T15-G16-A17-A18-T19-A20-G21-T22-G23-G24) dodecanucleotide duplex (designated 8-oxo-7H-dG·dA 12-mer), which contains a centrally located 7-hydro-8-oxodeoxyguanosine (8-oxo-7H-dG) residue, a group commonly found in DNA that has been exposed to ionizing radiation or oxidizing free radicals. From the NMR spectra it can be deduced that this moiety exists as two tautomers, or gives rise to two DNA conformations, that are in equilibrium and that exchange slowly. The present study focuses on the major component of the equilibrium that originates in the 6,8-dioxo tautomer of 8-oxo-7H-dG. The authors have assigned the exchangeable NH1, NH7, and NH 2 -2 base protons located on the Watson-Crick and Hoogsteen edges of 8-oxo-7H-dG7 in the 8-oxo-7H-dG·dA 12-mer duplex, using an analysis of one- and two-dimensional nuclear Overhauser enhancement (NOE) data in H 2 O solution. They were able to detect a set of intra- and interstrand NOEs between protons (exchangeable and nonexchangeable) on adjacent residues in the d(A6-oxo-G7-T8)·d(A17-A18-T19) trinucleotide segment centered about the lesion site that establishes stacking of the oxo-dG7(syn)·dA(anti) pair between stable Watson-Crick dA6·dT19 and dT8·A17 base pairs with minimal perturbation of the helix. The structural studies demonstrate that 8-oxo-7H-dG(syn)·dA(anti) forms a stable pair in the interior of the helix, providing a basis for the observed incorporation of dA opposite 8-oxo-7H-dG when readthrough occurs past this oxidized nucleoside base

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

    Energy Technology Data Exchange (ETDEWEB)

    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

  11. Closure of mass exchange under use of a vegetable conveyer cultivated on a neutral and soil-like substrates as applied to BLSS

    Science.gov (United States)

    Velitchko, Vladimir; Tikhomirov, Alexander; Ushakova, Sofya

    To increase a closure level of mass exchange processes in bioregenerative life support systems (BLSS) including a human a technology of plants cultivation on a soil-like substrate (SLS) consisting in a gradual decomposition of inedible plants biomass under its addition in the SLS was developed at the Institute of Biophysics SB RAS (Russia). In the given work the effect of periodical introduction of inedible plant biomass in the SLS on plants photosynthetic productivity and on the closure of mass exchange has been analyzed. Thereupon CO2 gas exchange and the certain vegetables' productivity under their cultivation in a conveyor regime on the SLS and on a neutral substrate with reference to the closure of mass exchange processes in BLSS have been studied in this work. The vegetables Raphanus sativus L., Brassica caulorapa L. Daucus carota L. and Beta vulgaris L. being prospective plantsrepresentatives of the BLSS phototrophic unit were taken as the research objects. The SLS was taken as an experiment substrate and an expanded clay aggregate as the control. The changeable Knop solution was used for the control, and an irrigation solution with the SLS extract was used for the experiment. Rapidity dynamics of CO2 consumption showed sharp distinctions of the ‘plants-SLS' system from the ‘plantsexpanded clay aggregate' system connected with the oxidation processes coursing in the SLS. The intensity of CO2 evolution from the SLS on average was 70% of the total plants conveyor's respiration. Thus a balance between the system's respiration and photosynthesis was often determined by the processes coursing in the SLS. Here the sharp CO2 evolution was recorded after introduction of the plants inedible biomass in the SLS. That peak was gradually coming down during 10-14 days after the beginning of every cycle of plants cultivation that was connected with intensification of plants photosynthesis and drop of decomposition intensity of the biomass introduced. Comparative

  12. Carbon source/sink function of a subtropical, eutrophic lake determined from an overall mass balance and a gas exchange and carbon burial balance

    International Nuclear Information System (INIS)

    Yang Hong; Xing Yangping; Xie Ping; Ni Leyi; Rong Kewen

    2008-01-01

    Although studies on carbon burial in lake sediments have shown that lakes are disproportionately important carbon sinks, many studies on gaseous carbon exchange across the water-air interface have demonstrated that lakes are supersaturated with CO 2 and CH 4 causing a net release of CO 2 and CH 4 to the atmosphere. In order to more accurately estimate the net carbon source/sink function of lake ecosystems, a more comprehensive carbon budget is needed, especially for gaseous carbon exchange across the water-air interface. Using two methods, overall mass balance and gas exchange and carbon burial balance, we assessed the carbon source/sink function of Lake Donghu, a subtropical, eutrophic lake, from April 2003 to March 2004. With the overall mass balance calculations, total carbon input was 14 905 t, total carbon output was 4950 t, and net carbon budget was +9955 t, suggesting that Lake Donghu was a great carbon sink. For the gas exchange and carbon burial balance, gaseous carbon (CO 2 and CH 4 ) emission across the water-air interface totaled 752 t while carbon burial in the lake sediment was 9477 t. The ratio of carbon emission into the atmosphere to carbon burial into the sediment was only 0.08. This low ratio indicates that Lake Donghu is a great carbon sink. Results showed good agreement between the two methods with both showing Lake Donghu to be a great carbon sink. This results from the high primary production of Lake Donghu, substantive allochthonous carbon inputs and intensive anthropogenic activity. Gaseous carbon emission accounted for about 15% of the total carbon output, indicating that the total output would be underestimated without including gaseous carbon exchange. - Due to high primary production, substantive allochthonous carbon inputs and intensive anthropogenic acitivity, subtropical, eutrophic Lake Donghu is a great carbon sink

  13. Temperature- and body mass-related variation in cyclic gas exchange characteristics and metabolic rate of seven weevil species: Broader implications.

    Science.gov (United States)

    Klok, C J; Chown, S L

    2005-07-01

    The influence of temperature on metabolic rate and characteristics of the gas exchange patterns of flightless, sub-Antarctic Ectemnorhinus-group species from Heard and Marion islands was investigated. All of the species showed cyclic gas exchange with no Flutter period, indicating that these species are not characterized by discontinuous gas exchange cycles. Metabolic rate estimates were substantially lower in this study than in a previous one of a subset of the species, demonstrating that open-system respirometry methods provide more representative estimates of standard metabolic rate than do many closed-system methods. We recommend that the latter, and especially constant-pressure methods, either be abandoned for estimates of standard metabolic rate in insects, or have their outputs subject to careful scrutiny, given the wide availability of the former. V(.)CO(2) increase with an increase in temperature (range: 0-15 degrees C) was modulated by an increase in cycle frequency, but typically not by an increase in burst volume. Previous investigations of temperature-related changes in cyclic gas exchange (both cyclic and discontinuous) in several other insect species were therefore substantiated. Interspecific mass-scaling of metabolic rate (ca. 0.466-0.573, excluding and including phylogenetic non-independence, respectively) produced an exponent lower than 0.75 (but not distinguishable from it or from 0.67). The increase of metabolic rate with mass was modulated by an increase in burst volume and not by a change in cycle frequency, in keeping with investigations of species showing discontinuous gas exchange. These findings are discussed in the context of the emerging macrophysiological metabolic theory of ecology.

  14. The localized vibrations of H-H-, D-D- and H-D- pairs in KCl, KBr, KI, RbCl and NaCl

    International Nuclear Information System (INIS)

    Robert, R.

    1974-01-01

    The localized vibrational modes of H - H - , D - D - and H - D - pairs in KCl, KBr, KI, RbCl and NaCl were studied for different pair configurations. The measured frequencies of the infrared active modes were found to be in good agreement with a model of two coupled harmonic oscillators. The line width for different modes in the salts studied is discussed. The temperature dependence for the transversal modes T 1 and T 2 of the line width for the H - H - pairs in KCl indicates that the broadening of these lines is due to the 'decomposition mechanism', that generates two phonons. The generated phonons due to the decay of the localized in phase mode are: -one acustic phonon of the lattice, -one localized phonon that corresponds to the out of phase vibration of the H - H - pair. The general properties, as the Ivey law and several particulars of the properties in the alkali-halides studied are presented [pt

  15. Determination of Equine Cytochrome c Backbone Amide Hydrogen/Deuterium Exchange Rates by Mass Spectrometry Using a Wider Time Window and Isotope Envelope.

    Science.gov (United States)

    Hamuro, Yoshitomo

    2017-03-01

    A new strategy to analyze amide hydrogen/deuterium exchange mass spectrometry (HDX-MS) data is proposed, utilizing a wider time window and isotope envelope analysis of each peptide. While most current scientific reports present HDX-MS data as a set of time-dependent deuteration levels of peptides, the ideal HDX-MS data presentation is a complete set of backbone amide hydrogen exchange rates. The ideal data set can provide single amide resolution, coverage of all exchange events, and the open/close ratio of each amide hydrogen in EX2 mechanism. Toward this goal, a typical HDX-MS protocol was modified in two aspects: measurement of a wider time window in HDX-MS experiments and deconvolution of isotope envelope of each peptide. Measurement of a wider time window enabled the observation of deuterium incorporation of most backbone amide hydrogens. Analysis of the isotope envelope instead of centroid value provides the deuterium distribution instead of the sum of deuteration levels in each peptide. A one-step, global-fitting algorithm optimized exchange rate and deuterium retention during the analysis of each amide hydrogen by fitting the deuterated isotope envelopes at all time points of all peptides in a region. Application of this strategy to cytochrome c yielded 97 out of 100 amide hydrogen exchange rates. A set of exchange rates determined by this approach is more appropriate for a patent or regulatory filing of a biopharmaceutical than a set of peptide deuteration levels obtained by a typical protocol. A wider time window of this method also eliminates false negatives in protein-ligand binding site identification. Graphical Abstract ᅟ.

  16. Affinity capture of biotinylated proteins at acidic conditions to facilitate hydrogen/deuterium exchange mass spectrometry analysis of multimeric protein complexes

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Jørgensen, Thomas J. D.; Koefoed, Klaus

    2013-01-01

    Characterization of conformational and dynamic changes associated with protein interactions can be done by hydrogen/deuterium exchange mass spectrometry (HDX-MS) by comparing the deuterium uptake in the bound and unbound state of the proteins. Investigation of local hydrogen/deuterium exchange...... in heteromultimeric protein complexes poses a challenge for the method due to the increased complexity of the mixture of peptides originating from all interaction partners in the complex. Previously, interference of peptides from one interaction partner has been removed by immobilizing the intact protein on beads...... complexes without interference of peptides originating from other interaction partners in the complex. The biotin-streptavidin strategy has been successfully implemented in a model system with two recombinant monoclonal antibodies that target nonoverlapping epitopes on the human epidermal growth factor...

  17. Qualitative and quantitative analysis of branches in dextran using high-performance anion exchange chromatography coupled to quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Yi, Lin; Ouyang, Yilan; Sun, Xue; Xu, Naiyu; Linhardt, Robert J; Zhang, Zhenqing

    2015-12-04

    Dextran, a family of natural polysaccharides, consists of an α (1→6) linked-glucose main (backbone) chain having a number of branches. The determination of the types and the quantities of branches in dextran is important in understanding its various biological roles. In this study, a hyphenated method using high-performance anion exchange chromatography (HPAEC) in parallel with pulsed amperometric detection (PAD) and mass spectrometry (MS) was applied to qualitative and quantitative analysis of dextran branches. A rotary cation-exchange cartridge array desalter was used for removal of salt from the HPAEC eluent making it MS compatible. MS and MS/MS were used to provide structural information on the enzymatically prepared dextran oligosaccharides. PAD provides quantitative data on the ratio of enzyme-resistant, branched dextran oligosaccharides. Both the types and degree of branching found in a variety of dextrans could be simultaneously determined online using this method. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Charge symmetry breaking via Δ I = 1 group theory or by the u-d quark mass difference and direct photon exchange

    International Nuclear Information System (INIS)

    Coon, S.A.; Scadron, M.D.

    2000-01-01

    Charge symmetry breaking (CSB) in the strong N N interaction is believed to have its origins at the quark level. However, the meson-exchange potentials which successfully describe the empirical CSB utilize instead values of the Δ I = 1 π η and ρ ω mixing obtained with the aid of group theory from a hadronic tadpole Hamiltonian introduced by Coleman and Glashow to describe electromagnetic mass splitting in hadronic isospin multiplets. We review i) the CSB N N potentials so constructed and their nuclear charge asymmetry effects, i i) the universal scale of the Coleman-Glashow tadpole, and i i i) the quark loop evaluation of both meson mass differences and meson mixing. The latter quark loop calculations, which use chiral symmetry to evaluate the integrals, demonstrate clearly that the u-d constituent quark mass difference, long suspected as the origin of CSB, does quantitatively yield the universal Coleman-Glashow tadpole scale which underlies the successful meson-exchange description of CSB in nuclear physics. (Author) 38 refs., 3 figs

  19. First measurements of dtμ-cycle characteristics in liquid H/D/T mixture

    International Nuclear Information System (INIS)

    Averin, Yu.P.; Balin, D.V.; Bom, V.R.

    1998-01-01

    The muon catalyzed fusion in dense triple mixture of hydrogen isotopes has been investigated for the first time. The experimental method is based on the registration of neutrons from dtμ fusions by a full absorption detectors in 4π geometry. The measurements have been performed in H/D/T mixture at T = 22 K and φ ≅ 1.1 LHD at four sets of isotope concentrations. The basic parameters of dtμ cycle (neutron yield, cycling rate and total sticking) in H/D/T mixtures are presented and discussed

  20. Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, Albert F., E-mail: wagner@anl.gov [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439 (United States); Dawes, Richard [Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409 (United States); Continetti, Robert E. [Department of Chemistry and Biochemistry, University of California, San Diego, California 92093 (United States); Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2014-08-07

    The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO{sub 2} on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the

  1. Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO₂.

    Science.gov (United States)

    Wagner, Albert F; Dawes, Richard; Continetti, Robert E; Guo, Hua

    2014-08-07

    The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least

  2. Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

    International Nuclear Information System (INIS)

    Wagner, Albert F.; Dawes, Richard; Continetti, Robert E.; Guo, Hua

    2014-01-01

    The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO 2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least

  3. Invariant mass spectroscopy of {sup 19,17}C and {sup 14}B using proton inelastic and charge-exchange reactions

    Energy Technology Data Exchange (ETDEWEB)

    Satou, Y., E-mail: satou@phya.snu.ac.k [Department of Physics and Astronomy, Seoul National University, Seoul (Korea, Republic of); Nakamura, T. [Department of Physics, Tokyo Institute of Technology, Tokyo (Japan); Fukuda, N. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Sugimoto, T.; Kondo, Y.; Matsui, N.; Hashimoto, Y.; Nakabayashi, T.; Okumura, Y.; Shinohara, M. [Department of Physics, Tokyo Institute of Technology, Tokyo (Japan); Motobayashi, T.; Yanagisawa, Y.; Aoi, N.; Takeuchi, S.; Gomi, T.; Togano, Y. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Kawai, S. [Department of Physics, Rikkyo University, Tokyo (Japan); Sakurai, H. [Institute of Physical and Chemical Research (RIKEN), Saitama (Japan); Ong, H.J.; Onishi, T.K. [Department of Physics, University of Tokyo, Tokyo (Japan)

    2010-03-01

    The neutron-rich carbon isotopes {sup 19,17}C and the boron isotope {sup 14}B have been investigated, respectively, by the proton inelastic and charge-exchange reactions on a liquid hydrogen target at around 70 MeV/nucleon. The invariant mass method in inverse kinematics was employed to map the energy spectrum above the neutron decay threshold of the residual nuclei. New states on carbon isotopes are reported. An experimental capability of extracting beta-decay strengths via forward angle (p,n) cross sections on unstable nuclei is shown.

  4. A Comprehensive Study on the Electronic State of Hydrogen in α-Phase PdH(D)x-Does a Chemical Bond Between Pd and H(D) Exist?

    Science.gov (United States)

    Dekura, Shun; Kobayashi, Hirokazu; Ikeda, Ryuichi; Maesato, Mitsuhiko; Yoshino, Haruka; Ohba, Masaaki; Ishimoto, Takayoshi; Kawaguchi, Shogo; Kubota, Yoshiki; Yoshioka, Satoru; Matsumura, Syo; Sugiyama, Takeharu; Kitagawa, Hiroshi

    2018-06-12

    The palladium(Pd)-hydrogen(H) system is one of the most famous hydrogen storage systems. Although there has been much research on β-phase PdH(D)x, we comprehensively investigated the nature of the interaction between Pd and H(D) in α-phase PdH(D)x (x H(D) chemical bond for the first time, by various in situ experimental techniques and first-principles theoretical calculations. The lattice expansion by H(D) dissolution in the α-phase lattice suggests the existence of interaction between Pd and H(D). The decrease of magnetic susceptibility and the increase of electrical resistivity indicate that the electronic states are changed by the H(D) dissolution in the α phase. In situ solid-state 1H and 2H NMR results and first-principles theoretical calculations revealed that a Pd-H(D) chemical bond exists in the α phase, but the bonding character of the Pd-H(D) chemical bond in the α phase is quite different from that in the β phase; the nature of the Pd-H(D) chemical bond in the α phase is a localized covalent bond whereas that in the β phase is a metallic bond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Anomalous H/D isotope effect on 35Cl NQR frequencies and H/D isotope effect on 1H MAS NMR spectra in pyrrolidinium p-chlorobenzoate

    International Nuclear Information System (INIS)

    Nakano, Ryo; Honda, Hisashi; Nakata, Eiichi; Takamizawa, Satoshi; Noro, Sumiko; Kimura, Taiki; Kyo, Shin-shin; Ishimaru, Shin'ichi; Miyake, Ryosuke

    2010-01-01

    An anomalous isotope effect was observed in the 35 Cl NQR frequency of pyrrolidinium p-chlorobenzoate (C 4 H 8 NH 2 + ·ClC 6 H 4 COO - ) by deuterium substitution of hydrogen atoms which form two kinds of N-H...O type hydrogen bonds. Large negative frequency shifts of the 35 Cl resonance lines, reaching 309 kHz at 77 K and 267 kHz at 293 K, were obtained upon deuteration, although the Cl atom in the molecule formed no hydrogen bonds in the crystal. 1 H MAS NMR lines showed significant changes by the deuterium substitution, while in contrast, small shifts of 13 C CP/MAS NMR signals were obtained. Our measurements of 1 H NMR spin-lattice relaxation times (T 1 ) suggested that the H/D isotope shifts detected from the 35 Cl NQR frequencies and 1 H NMR spectra are due to structural changes rather than molecular dynamics. Single-crystal X-ray diffraction measurements showed two remarkable H/D isotope differences in the molecular arrangements, (1) the N-H length along the crystallographic a axis became 1 pm shorter, and (2) the dihedral angle between benzene and the pyrrolidine ring changed by 1.1(2)deg upon deuteration. Using density functional theory estimations, the anomalous 35 Cl NQR frequency shifts and 1 H MAS NMR line-shape changes could be explained by the dihedral angle change rather than the N-H length difference. (author)

  6. Model for H-, D- production by hydrogen backscattering from alkali and alkali/transition-metal surfaces

    International Nuclear Information System (INIS)

    Hiskes, J.R.; Schneider, P.J.

    1980-01-01

    A model for H - , D - production by energetic particles reflecting from metal surfaces is discussed. The model employs the energy and angular distribution data derived from the Marlowe code. The model is applied to particles incident normally upon Cs, Ni, and Cs/Ni surfaces

  7. Electrochemical H-D isotope effect at metal-perovskite proton conductor interfaces

    DEFF Research Database (Denmark)

    Kek, D.; Bonanos, N.

    1999-01-01

    The H-D isotope effect on the electrode kinetics of a metal-proton conductor interface has been investigated. The current-voltage behaviour depends on the nature of the electrode (Ni, Ag), the atmosphere (H(2), D(2)), the partial pressures of the gases, and the temperature. The isotope effect was...

  8. Electron spray ionization mass spectrometry and 2D 31P NMR for monitoring 18O/16O isotope exchange and turnover rates of metabolic oligophosphates

    International Nuclear Information System (INIS)

    Nemutlu, Emirhan; Juranic, Nenad; Macura, Slobodan; Zhang, Song; Terzic, Andre; Dzeja, Petras P.; Ward, Lawrence E.; Dutta, Tumpa; Nair, K.S.

    2012-01-01

    A new method was here developed for the determination of 18 O-labeling ratios in metabolic oligophosphates, such as ATP, at different phosphoryl moieties (α-, β-, and γ-ATP) using sensitive and rapid electrospray ionization mass spectrometry (ESI-MS). The ESI-MS-based method for monitoring of 18 O/ 16 O exchange was validated with gas chromatography-mass spectrometry and 2D 31 P NMR correlation spectroscopy, the current standard methods in labeling studies. Significant correlation was found between isotopomer selective 2D 31 P NMR spectroscopy and isotopomer less selective ESI-MS method. Results demonstrate that ESI-MS provides a robust analytical platform for simultaneous determination of levels, 18 O-labeling kinetics and turnover rates of α-, β-, and γ-phosphoryls in ATP molecule. Such method is advantageous for large scale dynamic phosphometabolomic profiling of metabolic networks and acquiring information on the status of probed cellular energetic system. (orig.)

  9. Simultaneous determination of platinum group elements and rhenium in rock samples using isotope dilution inductively coupled plasma mass spectrometry after cation exchange separation followed by solvent extraction

    International Nuclear Information System (INIS)

    Shinotsuka, Kazunori; Suzuki, Katsuhiko

    2007-01-01

    A simple and precise determination method for platinum group elements (PGEs) and Re in rock samples was developed using isotope dilution coupled with inductively coupled plasma mass spectrometry (ID-ICP-MS). Cation exchange separation was employed for simplicity, because it is applicable to group separation and simultaneous isotopic measurement in contrast with the widely used anion exchange separation which entails separate elution. However, its application to ID-ICP-MS has been limited due to spectral interferences from impurities retained in the PGE fraction even after ion chromatography. To overcome this limitation, solvent extraction using N-benzoyl-N-phenylhydroxylamine (BPHA) in chloroform was successfully applied for further purification. After the examination of optimum experimental parameters in cation exchange separation and solvent extraction using synthetic PGE solution, the established procedure was applied to the determination of PGEs and Re in some geochemical reference materials. The obtained results agreed well with the literature data determined using the different digestion methods (NiS fire assay and the use of a high-pressure asher) within the analytical uncertainties of each other. Significant difference in reproducibility between Ru, Ir, Pt and Os group, and Pd and Re group was observed in the results for BHVO-2 and JA-2. By considering the error factors affecting analytical reproducibility, we concluded that the difference is ascribed to the sample heterogeneity of minor minerals enriched in Ru, Ir, Pt and Os

  10. Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds.

    Science.gov (United States)

    Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Jin, Jang Mi; Yim, Un Hyuk; Shim, Won Joon; Kim, Young Hwan; Kim, Sunghwan

    2016-05-01

    This paper presents a detailed investigation of the feasibility of optimized positive and negative atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and atmospheric pressure photoionization (APPI) MS coupled to hydrogen-deuterium exchange (HDX) for structural assignment of diverse oxygen-containing compounds. The important parameters for optimization of HDX MS were characterized. The optimized techniques employed in the positive and negative modes showed satisfactory HDX product ions for the model compounds when dichloromethane and toluene were employed as a co-solvent in APCI- and APPI-HDX, respectively. The evaluation of the mass spectra obtained from 38 oxygen-containing compounds demonstrated that the extent of the HDX of the ions was structure-dependent. The combination of information provided by different ionization techniques could be used for better speciation of oxygen-containing compounds. For example, (+) APPI-HDX is sensitive to compounds with alcohol, ketone, or aldehyde substituents, while (-) APPI-HDX is sensitive to compounds with carboxylic functional groups. In addition, the compounds with alcohol can be distinguished from other compounds by the presence of exchanged peaks. The combined information was applied to study chemical compositions of degraded oils. The HDX pattern, double bond equivalent (DBE) distribution, and previously reported oxidation products were combined to predict structures of the compounds produced from oxidation of oil. Overall, this study shows that APCI- and APPI-HDX MS are useful experimental techniques that can be applied for the structural analysis of oxygen-containing compounds.

  11. Hydrogen exchange

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Rand, Kasper Dyrberg

    2016-01-01

    Hydrogen exchange (HX) monitored by mass spectrometry (MS) is a powerful analytical method for investigation of protein conformation and dynamics. HX-MS monitors isotopic exchange of hydrogen in protein backbone amides and thus serves as a sensitive method for probing protein conformation...... and dynamics along the entire protein backbone. This chapter describes the exchange of backbone amide hydrogen which is highly quenchable as it is strongly dependent on the pH and temperature. The HX rates of backbone amide hydrogen are sensitive and very useful probes of protein conformation......, as they are distributed along the polypeptide backbone and form the fundamental hydrogen-bonding networks of basic secondary structure. The effect of pressure on HX in unstructured polypeptides (poly-dl-lysine and oxidatively unfolded ribonuclease A) and native folded proteins (lysozyme and ribonuclease A) was evaluated...

  12. Changes in water mass exchange between the NW shelf areas and the North Atlantic and their impact on nutrient/carbon cycling

    Science.gov (United States)

    Gröger, Matthias; Maier-Reimer, Ernst; Mikolajewicz, Uwe; Segschneider, Joachim; Sein, Dimitry

    2010-05-01

    Despite their comparatively small extension on a global scale, shelf areas are of interest for several economic reasons and climatic processes related to nutrient cycling, sea food supply, and biological productivity. Moreover, they constitute an important interface for nutrients, pollutants and freshwater on their pathway from the continents to the open ocean. This modelling study aims to investigate the spatial and temporal variability of water mass exchange between the North Atlantic and the NW European shelf and their impact on nutrient/carbon cycling and biological productivity. For this, a new modeling approach has been set up which bridges the gap between pure shelf models where water mass transports across the model domain too strongly depend on the formulation of open boundaries and global models suffering under their too coarse resolution in shelf regions. The new model consists of the global ocean and carbon cycle model MPIOM/HAMOCC with strongly increased resolution in the North Sea and the North Atlantic coupled to the regional atmosphere model REMO. The model takes the full luni-solar tides into account. It includes further a 12 layer sediment module with the relevant pore water chemistry. The main focus lies on the governing mechanisms of water mass exchange across the shelf break and the imprint on shelf biogeochemistry. For this, artificial tracers with a prescribed decay rate have been implemented to distinguish waters arriving from polar and shelf regions and those that originate from the tropics. Experiments were carried out for the years 1948 - 2007. The relationship to larger scale circulation patterns like the position and variability of the subtropical and subpolar gyres is analyzed. The water mass exchange is analyzed with respect to the nutrient concentration and productivity on the European shelf areas. The implementation of tides leads to an enhanced vertical mixing which causes lower sea surface temperatures compared to simulations

  13. {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Universita degli Studi di Enna Kore, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Cyclotron Institute Texas A and M University - College Station, Texas (United States); Excellence Cluster Universe - Technische Universitaet Muenchen, Garching, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie Darmstadt (Germany); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); School of Physics and Astronomy - University of Edinburgh, SUPA (United Kingdom); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy)

    2012-11-20

    The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  14. 2H(d,p)3H and 2H(d,n)3He reactions at sub-coulomb energies

    International Nuclear Information System (INIS)

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Spartá, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

    2012-01-01

    The 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes have been measured in quasi free kinematics to investigate for the first time the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by means of the Trojan Horse Method. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  15. Heat and mass exchange within the soil - plant canopy-atmosphere system : a theroretical approach and its validation

    NARCIS (Netherlands)

    El-Kilani, R.M.M.

    1997-01-01

    Heat, mass and momentum transfer between the canopy air layer and the layer of air above has a very intermittent nature. This intermittent nature is due to the passage at the canopy top of coherent structures which have a length scale at least as large as the canopy height. The periodic

  16. Recombinant immobilized rhizopuspepsin as a new tool for protein digestion in hydrogen/deuterium exchange mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Rey, M.; Man, Petr; Brandolin, G.; Forest, E.; Pelosi, L.

    2009-01-01

    Roč. 23, č. 21 (2009), s. 3431-3438 ISSN 0951-4198 Institutional research plan: CEZ:AV0Z50200510 Keywords : mass spectrometry * recombinant immobilized rhizopuspepsin * protease Subject RIV: CE - Biochemistry Impact factor: 2.695, year: 2009

  17. Quasiclassical Studies of Eley-Rideal and Hot Atom Reactions on Surface: H(D)→D(H)+Cu(111)

    International Nuclear Information System (INIS)

    Vurdu, C.D.

    2004-01-01

    Randomly distributed hydrogen adsorbates on the surface of Cu(1 1 1) are used to form 0.50, 0.25 and 0.15 monolayers of coverages to simulate D(H)→H(D) + Cu(111) system at 30 K and 94 K surface temperatures. The interaction of this system is mimicked by a LEPS function which is parameterized by using the energy points which were calculated by a density-functional theory method and the generalized gradient approximation for the exchange-correlation energy for various configurations of one a,nd two hydrogen atoms on the Cu(111) surface. Our results on H 2 , D 2 , and HD formations via Eley-Redial and hot-atom mechanisms will be presented at these temperatures. Probabilities for the rotational, vibrational, total and translational energy distributions of the products are calculated. In addition traping onto the surface, inelastic reflection of the incident projectile and penetration of the adsorbate or projectile atom into the slab is analyzed. Hot-atom pathways for product formations are shown to make significant contributions

  18. Some measurements of H/D polarizability isotope effects using differential refractometry

    Energy Technology Data Exchange (ETDEWEB)

    Foster Smith, M; Van Hook, W A [Tennessee Univ., Knoxville (USA). Dept. of Chemistry

    1989-05-01

    Refractive index differences between the H and D isomers of some common molecules in the liquid phase were measured between 404.7 and 690.0 nm. The data are combined with information on molar volume isotope effects to yield values for H/D isotope effects on the static polarizability, the vibrational contribution to the static and frequency dependent parts of the polarizability, and the H/D isotope effect on the second moment of the electronic charge distribution. The present results suffice to demonstrate the practicability of this technique to measure the components of the polarizability listed above. However for accurate resolution of the vibrational and second moment contributions, refractive index data of still greater precision will be required. (orig.).

  19. Some measurements of H/D polarizability isotope effects using differential refractometry

    International Nuclear Information System (INIS)

    Foster Smith, M.; Van Hook, W.A.

    1989-01-01

    Refractive index differences between the H and D isomers of some common molecules in the liquid phase were measured between 404.7 and 690.0 nm. The data are combined with information on molar volume isotope effects to yield values for H/D isotope effects on the static polarizability, the vibrational contribution to the static and frequency dependent parts of the polarizability, and the H/D isotope effect on the second moment of the electronic charge distribution. The present results suffice to demonstrate the practicability of this technique to measure the components of the polarizability listed above. However for accurate resolution of the vibrational and second moment contributions, refractive index data of still greater precision will be required. (orig.)

  20. Competition H(D) kinetic isotope effects in the autoxidation of hydrocarbons.

    Science.gov (United States)

    Muchalski, Hubert; Levonyak, Alexander J; Xu, Libin; Ingold, Keith U; Porter, Ned A

    2015-01-14

    Hydrogen atom transfer is central to many important radical chain sequences. We report here a method for determination of both the primary and secondary isotope effects for symmetrical substrates by the use of NMR. Intramolecular competition reactions were carried out on substrates having an increasing number of deuterium atoms at symmetry-related sites. Products that arise from peroxyl radical abstraction at each position of the various substrates reflect the competition rates for H(D) abstraction. The primary KIE for autoxidation of tetralin was determined to be 15.9 ± 1.4, a value that exceeds the maximum predicted by differences in H(D) zero-point energies (∼7) and strongly suggests that H atom abstraction by the peroxyl radical occurs with substantial quantum mechanical tunneling.

  1. Specific heat and magnetization of RMn2(H,D)2

    International Nuclear Information System (INIS)

    Tarnawski, Z.; Kolwicz-Chodak, L.; Figiel, H.; Kim-Ngan, N.-T.H.; Havela, L.; Miliyanchuk, K.; Sechovsky, V.; Santava, E.; Sebek, J.

    2007-01-01

    The effect of hydrogen absorption on magnetic and thermodynamic properties of hydrides compounds RMn 2 (H,D) 2 (R = Y, Nd, Tb, Ho, and Er) have been investigated by performing specific heat and magnetization measurements in the temperature range of 2-320 K and in magnetic fields up to 9 T. The phase transition to the antiferromagnetic order accompanying a crystal structure transformation have been revealed by complicated-structure anomalies in specific heat and weak anomalies in magnetization

  2. One dimensional transient numerical study of the mass heat and charge transfer in a proton exchange membrane for PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Haddad, Djamel; Benmoussa, Hocine [Laboratory (LESEI), Faculty of Engineering, University of Batna (Algeria); Bourmada, Noureddine; Oulmi, Kafia [Laboratory LCCE, Faculty of Science, University of Batna (Algeria); Mahmah, Bouziane; Belhamel, Maiouf [CDER, BP, 62 Avenue-Observatoire, Bouzareah, Alger (Algeria)

    2009-06-15

    The objective of our study is to quantify the mass water transferred by various modes: diffusion, convection and migration. For the water transfer, the principal forces considered in the model are, the convection force, the osmotic force (i.e. diffusion) and the electric force (migration). The first of these forces results from a pressure gradient, the second of a concentration gradient and the third of a protons' migration from the anode to the cathode, which has an effect on the dipole of the water molecules (resistance force to the advancement). The numerical tool used to solve the equations' system is the finite element method. The results obtained numerically considering this method are concentration profiles and concentration variation with time and membrane thickness. These results illustrate the contribution of each mass transfer mode. (author)

  3. Formation of the black-hole binary M33 X-7 through mass exchange in a tight massive system.

    Science.gov (United States)

    Valsecchi, Francesca; Glebbeek, Evert; Farr, Will M; Fragos, Tassos; Willems, Bart; Orosz, Jerome A; Liu, Jifeng; Kalogera, Vassiliki

    2010-11-04

    The X-ray source M33 X-7 in the nearby galaxy Messier 33 is among the most massive X-ray binary stellar systems known, hosting a rapidly spinning, 15.65M(⊙) black hole orbiting an underluminous, 70M(⊙) main-sequence companion in a slightly eccentric 3.45-day orbit (M(⊙), solar mass). Although post-main-sequence mass transfer explains the masses and tight orbit, it leaves unexplained the observed X-ray luminosity, the star's underluminosity, the black hole's spin and the orbital eccentricity. A common envelope phase, or rotational mixing, could explain the orbit, but the former would lead to a merger and the latter to an overluminous companion. A merger would also ensue if mass transfer to the black hole were invoked for its spin-up. Here we report simulations of evolutionary tracks which reveal that if M33 X-7 started as a primary body of 85M(⊙)-99M(⊙) and a secondary body of 28M(⊙)-32M(⊙), in a 2.8-3.1-d orbit, its observed properties can be consistently explained. In this model, the main-sequence primary transfers part of its envelope to the secondary and loses the rest in a wind; it ends its life as a ∼16M(⊙) helium star with an iron-nickel core that collapses to a black hole (with or without an accompanying supernova). The release of binding energy, and possibly collapse asymmetries, 'kick' the nascent black hole into an eccentric orbit. Wind accretion explains the X-ray luminosity, and the black-hole spin can be natal.

  4. Determination of ethephon residues in water by gas chromatography with cubic mass spectrometry after ion-exchange purification and derivatisation with N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide.

    Science.gov (United States)

    Royer, A; Laporte, F; Bouchonnet, S; Communal, P-Y

    2006-03-03

    An analytical method has been developed for the determination of residues of ethephon (2-chloroethyl phosphonic acid) in drinking and surface water. The procedure is based on de-ionisation with an anion/cation-exchange resin, solid phase extraction by means of anion-exchange polystyrene-divinylbenzene extraction disks, elution with a mixture of methanol and 10 M hydrochloric acid (98/2, v/v), redisolution into acetonitrile after evaporation and silylation with N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA). Quantification is performed by gas chromatography with ion-trap cubic mass spectrometric detection in the electron impact mode (GC-EI-MS3). Method validation was conducted using samples of mineral, tap, and river water that were fortified with ethephon at concentration levels ranging from 0.1 to 1.0 microg/L. The mean recovery from all the fortified samples (n = 36) amounted to 88% with a relative standard deviation of 17%. The method, therefore, was shown to allow accurate determination of ethephon residues in drinking and surface water with a limit of quantification of 0.1 microg/L.

  5. Determination of Histidine pKa Values in the Propeptides of Furin and Proprotein Convertase 1/3 Using Histidine Hydrogen-Deuterium Exchange Mass Spectrometry.

    Science.gov (United States)

    Elferich, Johannes; Williamson, Danielle M; David, Larry L; Shinde, Ujwal

    2015-08-04

    Propeptides of proprotein convertases regulate activation of their protease domains by sensing the organellar pH within the secretory pathway. Earlier experimental work highlighted the importance of a conserved histidine residue within the propeptide of a widely studied member, furin. A subsequent evolutionary analysis found an increase in histidine content within propeptides of secreted eukaryotic proteases compared with their prokaryotic orthologs. However, furin activates in the trans-golgi network at a pH of 6.5 while a paralog, proprotein convertase 1/3, activates in secretory vesicles at a pH of 5.5. It is unclear how a conserved histidine can mediate activation at two different pH values. In this manuscript, we measured the pKa values of histidines within the propeptides of furin and proprotein convertase 1/3 using a histidine hydrogen-deuterium exchange mass spectrometry approach. The high density of histidine residues combined with an abundance of basic residues provided challenges for generation of peptide ions with unique histidine residues, which were overcome by employing ETD fragmentation. During this analysis, we found slow hydrogen-deuterium exchange in residues other than histidine at basic pH. Finally, we demonstrate that the pKa of the conserved histidine in proprotein convertase 1/3 is acid-shifted compared with furin and is consistent with its lower pH of activation.

  6. On the problem of heat and mass exchange between liquid metal surface and structural elements in fast reactors

    International Nuclear Information System (INIS)

    Rineisky, A.A.; Sorokin, A.P.; Yatsenko, M.G.

    1986-01-01

    For the development of means ensuring normal operating conditions of the fast reactor vessel some design procedures for calculating temperature conditions of its structural elements over the liquid metal surface are required. The radiative heat transfer from the liquid metal surface playing an important part at working temperatures (550 deg. C), the effect of experimentally detected fog formation process (not taken into account before) upon the radiative heat exchange has been considered. A simplified heat transfer model based upon separation of thin thermal boundary layers and of the main volume at a constant temperature has been proposed. Calculation relationships for the heat flux from the reactor vessel roof have been obtained by solving a one-dimensional equation of radiation transfer within the boundary layer and a three-dimensional one in the bulk volume at an approximation of moments with Marshak boundary conditions. Evaluations performed have shown a possibility of a considerable decrease of the vessel roof temperature due to fog formation. The observed asymmetry of the temperature distribution in the cover gas is explained in this case greater fog density near the evaporation surface and by a possibility of some radiative energy loss due to evaporation from the droplets surface. (author)

  7. Effect Of Particle Size Of Zeolite On The Mass Transfer Coefficient Of Strontium In The Radioactive Waste Ion-Exchange Process

    International Nuclear Information System (INIS)

    Dewi-Susilowati; Suyitno

    1998-01-01

    This research is aimed for finding out the volumetric mass transfer coefficient of the zeolite particle, ks. The experiment has been conducted using an ion exchange column. The column diameter and length are 4.2 cm and 28 cm, respectively. The experiments have been conducted by flowing in the feed to the ion-exchange column containing zeolite with the varied particle diameters, I.e. 20, 40, 60, 80 and 100 mesh. The feed concentrations of Sr(NO 3 ) 2 , have been varied, I.e. 100, 250, 450, 550 and 650 ppm, and so have been the flow rates, I.e/ 35, 49, 70, 90 and 105 ml/minute. Samples of the effluents have been taken at certain series of time and subjected to analysis using an Atomic Absorption Spectrophotometer. The analytical data obtained have shown that the mass transfer coefficient of the zeolite particle is predominantly affected by the zeolite structure, in particular is effected by the number of AI atoms that hold the K ions. The analytical result from the above parameters has been presented in the forms of several groups of dimensionless number. The equations obtained are: (k L *dp)/D L 18.902(Re) 0 ,378 (dp/D) 0 ,6972(Co * ) 0 ,2667 with a mean error of 7.26%; k S 2240.268(dp/D) 1 .553; and each of them is valid in range of: Re: 0.182 - 0.856; dp/D: 0.004 - 0.022; Co * : 9.5408x10 - 5 - 6.2827x10 - 4

  8. Predicting protein aggregation during storage in lyophilized solids using solid state amide hydrogen/deuterium exchange with mass spectrometric analysis (ssHDX-MS).

    Science.gov (United States)

    Moorthy, Balakrishnan S; Schultz, Steven G; Kim, Sherry G; Topp, Elizabeth M

    2014-06-02

    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.

  9. Depolarization-induced release of [(3)H]D-aspartate from GABAergic neurons caused by reversal of glutamate transporters

    DEFF Research Database (Denmark)

    Jensen, J B; Pickering, D S; Schousboe, A

    2000-01-01

    if glutamate in addition to gamma-aminobutyric acid (GABA) could be released from these cultures. The neurons were preloaded with [(3)H]D-aspartate and subsequently its release was followed during depolarization induced by a high potassium concentration or the alpha-amino-3-hydroxy-5-methyl-4......-isoxazolepropionic acid (AMPA) receptor agonists, AMPA and kainate. Depolarization of the neurons with 55 mM potassium increased the release of [(3)H]D-aspartate by more than 10-fold. When the non-specific calcium-channel blockers cobalt or lanthanum were included in the stimulation buffer with potassium......, the release of [(3)H]D-aspartate was decreased by about 40%. These results indicated that some of the released [(3)H]D-aspartate might originate from a vesicular pool. When AMPA was applied to the neurons, the release of [(3)H]D-aspartate was increased 2-fold and could not be prevented or decreased...

  10. Simultaneous measurement of proline and related compounds in oak leaves by high-performance ligand-exchange chromatography and electrospray ionization mass spectrometry for environmental stress studies.

    Science.gov (United States)

    Oufir, Mouhssin; Schulz, Nadine; Sha Vallikhan, Patan Shaik; Wilhelm, Eva; Burg, Kornel; Hausman, Jean-Francois; Hoffmann, Lucien; Guignard, Cedric

    2009-02-13

    A mass spectrometer was coupled to high-performance ligand-exchange liquid chromatography (HPLEC) for simultaneous analysis of stress associated solutes such as proline, hydroxyproline, methylproline, glycine betaine and trigonelline extracted from leaves of drought stressed oaks and an internal standard namely N-acetylproline. Methanol/chloroform/water extracts were analyzed using an Aminex HPX-87C column and specifically quantified by the positive ion mode of an electrospray ionisation-mass spectrometry (ESI-MS) in single ion monitoring (SIM) mode. The recovery of N-acetyl proline added to oak leaf extracts ranged from 85.2 to 122.1% for an intra-day study. Standard calibration curves showed good linearity in the measured range from 0.3125 to 10micromolL(-1) with the lowest correlation coefficient of 0.99961 for trigonelline. The advantages of this alternative procedure, compared to previously published methods using fluorescence or amperometric detections, are the simultaneous and direct detection of osmoprotectants in a single chromatographic run, a minimal sample preparation, a good specificity and reduced limits of quantification, ranging from 0.1 to 0.6micromolL(-1). Fifty-six days of water deficit exposure resulted in increased foliar free proline levels (2.4-fold, P<0.001, 155micromolg(-1) FW) and glycine betaine contents (2.5-fold, P<0.05, 175micromolg(-1) FW) of drought stressed oak compared to control.

  11. Discussion on amount of water ingress mass in steam generator heat-exchange tube rupture accident of high- temperature gas-cooled reactor

    International Nuclear Information System (INIS)

    Wang Yan; Zheng Yanhua; Shi Lei; Li Fu; Sun Ximing

    2009-01-01

    The steam generator heat-exchange tube rupture (SGTR) accident which will result in the water ingress to the primary circuit of reactor is an important and particular accident for high-temperature gas-cooled reactor (HTGR). The analysis of the water ingress accident is significant for verifying the inherent safety characteristics of HTGR. The amount of water ingress mass is one of the decisive factors for the seriousness of the accident consequence. The 250 MW Pebble-bed Modular High-Temperature Gas-cooled Reactor (HTR-PM) designed by Institute of Nuclear and New Energy Technology of Tsinghua University was selected as an example of analysis. The analysis results show that the amount of water ingress mass is not only affected directly with the broken position and the broken area of the tubes, but also related with the diameter of draining piping and restrictor, draining control valve, action setting of emptier system. With reasonable parameters chosen, the water in steam generator could be drained effectively, so it will prevent the primary circuit of reactor from water ingress in large quantity and reduce the radioactive isotopes ingress to the secondary circuit. (authors)

  12. Mapping temperature-induced conformational changes in the Escherichia coli heat shock transcription factor sigma 32 by amide hydrogen exchange

    DEFF Research Database (Denmark)

    Rist, Wolfgang; Jørgensen, Thomas J D; Roepstorff, Peter

    2003-01-01

    Stress conditions such as heat shock alter the transcriptional profile in all organisms. In Escherichia coli the heat shock transcription factor, sigma 32, out-competes upon temperature up-shift the housekeeping sigma-factor, sigma 70, for binding to core RNA polymerase and initiates heat shock...... gene transcription. To investigate possible heat-induced conformational changes in sigma 32 we performed amide hydrogen (H/D) exchange experiments under optimal growth and heat shock conditions combined with mass spectrometry. We found a rapid exchange of around 220 of the 294 amide hydrogens at 37...... degrees C, indicating that sigma 32 adopts a highly flexible structure. At 42 degrees C we observed a slow correlated exchange of 30 additional amide hydrogens and localized it to a helix-loop-helix motif within domain sigma 2 that is responsible for the recognition of the -10 region in heat shock...

  13. Role of polarizability in the 3H(d,n)4He reaction

    International Nuclear Information System (INIS)

    Belyaev, V.B.; Kuzmichev, V.E.; Peresypkin, V.V.; Zepalova, M.L.

    1987-01-01

    The influence is investigated of the deuteron electric dipole polarizability on the cross section, astrophysical S-factor, and the yield of helium nuclei in the 3 H(d,n) 4 He reaction in the region of extremely low energies. Prediction is made of the existence of narrow maximum in the cross section at energies of an incident triton lower that 10 keV produced by the action of an attractive polarization potential in the d 3 H system. The growth of the cross section of d 3 H reaction increases the yield of 4 He nuclei at temperatures lower than keV

  14. Mechanism and kinetics of LiX(X=H, D, T) + H2O reaction

    International Nuclear Information System (INIS)

    Lei Hongjie; Duan Hao; Xing Pifeng; Tang Yongjian

    2011-01-01

    The reaction mechanism of LiX(X=H, D, T) with H 2 O was investigated at MP2/6-311G (d) level using ab initio quantum chemistry in Gaussian 03 software. The equilibrium geometries, harmonic frequencies and energy of various stationary points on the potential energy surfaces were calculated in the lowest singlet states. Considering the quantum correction, the reaction rate constants were calculated using classical transition state theory. The results show the reaction of LiH (LiD, LiT) with H 2 O was considerably dependent on temperature that it is lower, the reaction rate constants are smaller. (authors)

  15. Single column and two-column H-D-T distillation experiments at TSTA

    International Nuclear Information System (INIS)

    Yamanishi, T.; Yoshida, H.; Hirata, S.; Naito, T.; Naruse, Y.; Sherman, R.H.; Bartlit, J.R.; Anderson, J.L.

    1988-01-01

    Cryogenic distillation experiments were peformed at TSTA with H-D-T system by using a single column and a two-column cascade. In the single column experiment, fundamental engineering data such as the liquid holdup and the HETP were measured under a variety of operational condtions. The liquid holdup in the packed section was about 10 /approximately/ 15% of its superficial volume. The HETP values were from 4 to 6 cm, and increased slightly with the vapor velocity. The reflux ratio had no effect on the HETP. For the wo-colunn experiemnt, dynamic behavior of the cascade was observed. 8 refs., 7 figs., 2 tabs

  16. Retrograde transport of [3H]-D-aspartate label by cochlear and vestibular efferent neurons

    International Nuclear Information System (INIS)

    Schwarz, D.W.; Schwarz, I.E.

    1988-01-01

    [ 3 H]-D-aspartic acid was injected into the inner ear of rats. After a six hour survival time, labeled cells were found at all locations known to contain efferent cochlear or vestibular neurons. Most labeled neurons were found in the ipsilateral lateral superior olivary nucleus (LSO), although both ventral nuclei of the trapezoid body (VTB), group E, and the caudal pontine reticular nucleus (CPR) just adjacent to the ascending limb of the facial nerve also contained labeled cells. Because not all efferent neurons in the rat could be previously shown to be cholinergic, aspartate and glutamate are efferent transmitter candidates

  17. Rate of mass deposition of scaling compounds from seawater on the outer surface of heat exchangers in MED evaporators

    Energy Technology Data Exchange (ETDEWEB)

    Omar, W. [Department of Natural Resources and Chemical Engineering, Tafila Technical University, Tafila (Jordan); Ulrich, J. [FB Ingenieurwissenschaften, Institut fuer Verfahrenstechnik/TVT, Martin-Luther-Universitaet Halle-Wittenberg, Halle (Germany)

    2006-08-15

    The scaling problem in Multi Effect Distillation (MED) evaporators is investigated by the experimental measurement of the deposition rate under different operating conditions. The measurements are conducted in a batch vessel containing artificial seawater, which is allowed to contact the outer surface of a hot pipe under controlled temperature, salinity and pH. The rate of mass deposition is higher at elevated temperature. The salinity of the seawater also influences the scaling process - an increase in salinity from 47-59 g/L leads to an increase of 75.6 % in the deposition rate. Decreasing the pH value of seawater to 2.01 results in a complete inhibition of scaling, whereas the severity of the scaling increases in neutral and basic mediums. Polyacrylic acid is tested as an antifoulant and it was found that its presence in seawater reduces the scaling process. The nature of the heat transfer surface material also plays an important role in the scaling process. It is found experimentally that the rate of scaling is higher in the case of a Cu-Ni alloy as the surface material of the tube rather than stainless steel. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  18. Weak cation exchange magnetic beads coupled with matrix-assisted laser desorption ionization-time of flight-mass spectrometry in screening serum protein markers in osteopenia.

    Science.gov (United States)

    He, Wei-Tao; Liang, Bo-Cheng; Shi, Zhen-Yu; Li, Xu-Yun; Li, Chun-Wen; Shi, Xiao-Lin

    2016-01-01

    The present study aimed at investigating the weak cation magnetic separation technology and matrix-assisted laser desorption ionization-time of flight-mass spectrometry (MALDI-TOF-MS) in screening serum protein markers of osteopenia from ten postmenopausal women and ten postmenopausal women without osteopenia as control group, to find a new method for screening biomarkers and establishing a diagnostic model for primary type I osteoporosis. Serum samples were collected from postmenopausal women with osteopenia and postmenopausal women with normal bone mass. Proteins were extracted from serum samples by weak cation exchange magnetic beads technology, and mass spectra acquisition was done by MALDI-TOF-MS. The visualization and comparison of data sets, statistical peak evaluation, model recognition, and discovery of biomarker candidates were handled by the proteinchip data analysis system software(ZJU-PDAS). The diagnostic models were established using genetic arithmetic based support vector machine (SVM). The SVM result with the highest Youden Index was selected as the model. Combinatorial Peaks having the highest accuracy in distinguishing different samples were selected as potential biomarker. From the two group serum samples, a total of 133 differential features were selected. Ten features with significant intensity differences were screened. In the pair-wise comparisons, processing of MALDI-TOF spectra resulted in the identification of ten differential features between postmenopausal women with osteopenia and postmenopausal women with normal bone mass. The difference of features by Youden index showed that the highest features had a mass to charge ratio of 1699 and 3038 Da. A diagnosis model was established with these two peaks as the candidate marker, and the specificity of the model is 100 %, the sensitivity was 90 % by leave-one-out cross validation test. The two groups of specimens in SVM results on the scatter plot could be clearly distinguished. The peak

  19. Technology of preparation for low density 6Li(H,D) solid micro-target

    International Nuclear Information System (INIS)

    Wang Xisheng; Zeng Jiaquan; Li Qiang

    2002-01-01

    Low density 6 Li(H,D) micro-targets are prepared by loose sintering 6 LiH or 6 LiD powder in a tiny gold cylinder and soaking for 30 min up to 430 degree C at the rate of 10 degree C/h in argon. The dimension of the micro-targets is as tiny as 0.6-1.0 mm for diameter and 1-2 mm for length. Densities of 6 LiH and 6 LiD without Parylene C is (0.283 +- 0.009) g/cm 3 and (0.369 +- 0.009) g/cm 3 , respectively while 6 LiD targets with Parylene C is only (0.301 +- 0.010) g/cm 3 . The Parylene C has no effect on purity, deuterium abundance and 6 Li abundance of the sintered micro-targets. It's effective to keep 6 Li(H,D) purity by strict control of argon atmosphere

  20. Hyphenation of capillary high-performance ion-exchange chromatography with mass spectrometry using sheath-flow electrospray ionization.

    Science.gov (United States)

    Kochmann, Sven; Matysik, Frank-Michael

    2014-12-15

    Mass spectrometry (MS) is an attractive method for extending capillary-size ion chromatography (cHPIC) to create a valuable technique for speciation analysis. For hyphenation, the aqueous effluent of cHPIC has to be transformed into a volatile mixture for MS while preserving analytical concentrations as well as peak shapes during transfer from cHPIC to MS. Finally, the approach should technically be flexible and easy-to-use. A combination of cHPIC and sheath-flow electrospray ionization (ESI)-MS offers to solve all these challenges. cHPIC/sheath-flow-ESI-TOFMS was used in this study for the speciation analysis of various arsenic model compounds. These model compounds were analyzed with different hyphenation setups and configurations of cHPIC/MS and their respective assets and drawbacks were examined and discussed. The parameters (flow rate and composition of sheath liquid) of sheath-flow ESI and their influence on the performance of the spray and the sensitivity of the detector were investigated and compared with those of sheathless ESI. Using an injection valve to couple cHPIC and MS was found to be the best method for hyphenation, since it constitutes a flexible and dead-volume-free approach. The investigation of sheath-flow ESI revealed that the flow rate of the sheath liquid has to resemble the flow rate of the IC effluent to ensure a stable spray and that a composition of 2-propanol/water/ammonia at 50:50:0.2 (v/v/v) suits most applications without unilaterally promoting the sensitivity for either organic or inorganic compounds. The optimized setup and conditions were successfully applied to the analysis of a mixture of important arsenic species and used to determine limits of detection of organic and inorganic arsenic species (3.7 µg L(-1) elemental arsenic). A method for cHPIC/sheath-flow-ESI-MS was developed. The method was shown to be a valuable tool for speciation and trace analysis. It features no dead volume, fast transfer from IC to MS, only minimal

  1. Direct analysis of ultra-trace semiconductor gas by inductively coupled plasma mass spectrometry coupled with gas to particle conversion-gas exchange technique.

    Science.gov (United States)

    Ohata, Masaki; Sakurai, Hiromu; Nishiguchi, Kohei; Utani, Keisuke; Günther, Detlef

    2015-09-03

    An inductively coupled plasma mass spectrometry (ICPMS) coupled with gas to particle conversion-gas exchange technique was applied to the direct analysis of ultra-trace semiconductor gas in ambient air. The ultra-trace semiconductor gases such as arsine (AsH3) and phosphine (PH3) were converted to particles by reaction with ozone (O3) and ammonia (NH3) gases within a gas to particle conversion device (GPD). The converted particles were directly introduced and measured by ICPMS through a gas exchange device (GED), which could penetrate the particles as well as exchange to Ar from either non-reacted gases such as an air or remaining gases of O3 and NH3. The particle size distribution of converted particles was measured by scanning mobility particle sizer (SMPS) and the results supported the elucidation of particle agglomeration between the particle converted from semiconductor gas and the particle of ammonium nitrate (NH4NO3) which was produced as major particle in GPD. Stable time-resolved signals from AsH3 and PH3 in air were obtained by GPD-GED-ICPMS with continuous gas introduction; however, the slightly larger fluctuation, which could be due to the ionization fluctuation of particles in ICP, was observed compared to that of metal carbonyl gas in Ar introduced directly into ICPMS. The linear regression lines were obtained and the limits of detection (LODs) of 1.5 pL L(-1) and 2.4 nL L(-1) for AsH3 and PH3, respectively, were estimated. Since these LODs revealed sufficiently lower values than the measurement concentrations required from semiconductor industry such as 0.5 nL L(-1) and 30 nL L(-1) for AsH3 and PH3, respectively, the GPD-GED-ICPMS could be useful for direct and high sensitive analysis of ultra-trace semiconductor gas in air. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Designing an Epithermal Neutron Beam for Boron Neutron Capture Therapy for the Fusion Reactions 2H(d,n)3He and 3H(d,n)4He1

    International Nuclear Information System (INIS)

    Verbeke, J.M.; Costes, S.V.; Bleuel, D.; Vujic, J.; Leung, K.N.

    1998-01-01

    A beam shaping assembly has been designed to moderate high energy neutrons from the fusion reactions 2 H(d,N) 3 He and 3 H(d,n) 4 He for use fin boron neutron capture therapy. The low neutron yield of the 2 H(d,n) 3 He reaction led to unacceptably long treatment times. However, a 160 mA deuteron beam of energy 400 keV led to a treatment time of 120 minutes with the reaction 3 H(d,n) 4 He. Equivalent doses of 9.6 Gy-Eq and 21.9 Gy-Eq to the skin and to a 8 cm deep tumor respectively have been computed

  3. Design and Validation of In-Source Atmospheric Pressure Photoionization Hydrogen/Deuterium Exchange Mass Spectrometry with Continuous Feeding of D2O.

    Science.gov (United States)

    Acter, Thamina; Lee, Seulgidaun; Cho, Eunji; Jung, Maeng-Joon; Kim, Sunghwan

    2018-01-01

    In this study, continuous in-source hydrogen/deuterium exchange (HDX) atmospheric pressure photoionization (APPI) mass spectrometry (MS) with continuous feeding of D 2 O was developed and validated. D 2 O was continuously fed using a capillary line placed on the center of a metal plate positioned between the UV lamp and nebulizer. The proposed system overcomes the limitations of previously reported APPI HDX-MS approaches where deuterated solvents were premixed with sample solutions before ionization. This is particularly important for APPI because solvent composition can greatly influence ionization efficiency as well as the solubility of analytes. The experimental parameters for APPI HDX-MS with continuous feeding of D 2 O were optimized, and the optimized conditions were applied for the analysis of nitrogen-, oxygen-, and sulfur-containing compounds. The developed method was also applied for the analysis of the polar fraction of a petroleum sample. Thus, the data presented in this study clearly show that the proposed HDX approach can serve as an effective analytical tool for the structural analysis of complex mixtures. Graphical abstract ᅟ.

  4. Sites involved in intra- and interdomain allostery associated with the activation of factor VIIa pinpointed by hydrogen-deuterium exchange and electron transfer dissociation mass spectrometry.

    Science.gov (United States)

    Song, Hongjian; Olsen, Ole H; Persson, Egon; Rand, Kasper D

    2014-12-19

    Factor VIIa (FVIIa) is a trypsin-like protease that plays an important role in initiating blood coagulation. Very limited structural information is available for the free, inactive form of FVIIa that circulates in the blood prior to vascular injury and the molecular details of its activity enhancement remain elusive. Here we have applied hydrogen/deuterium exchange mass spectrometry coupled to electron transfer dissociation to pinpoint individual residues in the heavy chain of FVIIa whose conformation and/or local interaction pattern changes when the enzyme transitions to the active form, as induced either by its cofactor tissue factor or a covalent active site inhibitor. Identified regulatory residues are situated at key sites across one continuous surface of the protease domain spanning the TF-binding helix across the activation pocket to the calcium binding site and are embedded in elements of secondary structure and at the base of flexible loops. Thus these residues are optimally positioned to mediate crosstalk between functional sites in FVIIa, particularly the cofactor binding site and the active site. Our results unambiguously show that the conformational allosteric activation signal extends to the EGF1 domain in the light chain of FVIIa, underscoring a remarkable intra- and interdomain allosteric regulation of this trypsin-like protease. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  5. Hydrogen/deuterium exchange mass spectrometry and computational modeling reveal a discontinuous epitope of an antibody/TL1A Interaction.

    Science.gov (United States)

    Huang, Richard Y-C; Krystek, Stanley R; Felix, Nathan; Graziano, Robert F; Srinivasan, Mohan; Pashine, Achal; Chen, Guodong

    2018-01-01

    TL1A, a tumor necrosis factor-like cytokine, is a ligand for the death domain receptor DR3. TL1A, upon binding to DR3, can stimulate lymphocytes and trigger secretion of proinflammatory cytokines. Therefore, blockade of TL1A/DR3 interaction may be a potential therapeutic strategy for autoimmune and inflammatory diseases. Recently, the anti-TL1A monoclonal antibody 1 (mAb1) with a strong potency in blocking the TL1A/DR3 interaction was identified. Here, we report on the use of hydrogen/deuterium exchange mass spectrometry (HDX-MS) to obtain molecular-level details of mAb1's binding epitope on TL1A. HDX coupled with electron-transfer dissociation MS provided residue-level epitope information. The HDX dataset, in combination with solvent accessible surface area (SASA) analysis and computational modeling, revealed a discontinuous epitope within the predicted interaction interface of TL1A and DR3. The epitope regions span a distance within the approximate size of the variable domains of mAb1's heavy and light chains, indicating it uses a unique mechanism of action to block the TL1A/DR3 interaction.

  6. Fast analysis of quaternary ammonium pesticides in food and beverages using cation-exchange chromatography coupled with isotope-dilution high-resolution mass spectrometry.

    Science.gov (United States)

    Nardin, Tiziana; Barnaba, Chiara; Abballe, Franco; Trenti, Gianmaria; Malacarne, Mario; Larcher, Roberto

    2017-10-01

    A fast separation based on cation-exchange liquid chromatography coupled with high-resolution mass spectrometry is proposed for simultaneous determination of chlormequat, difenzoquat, diquat, mepiquat and paraquat in several food and beverage commodities. Solid samples were extracted using a mixture of water/methanol/formic acid (69.6:30:0.4, v/v/v), while liquid samples were ten times diluted with the same solution. Separation was carried out on an experimental length-modified IonPac CS17 column (2 × 15 mm 2 ) that allowed the use of formic acid and acetonitrile as mobile phase. Detection limits for food and beverage matrices were established at 1.5 μg/L for chlormequat, difenzoquat and mepiquat, and 3 μg/L for diquat and paraquat, while for drinking water a pre-analytical sample concentration allowed detection limits of 9 and 20 ng/L, respectively. Precision, as repeatability (RSD%), ranged from 0.2 to 24%, with a median value of 6%, and trueness, as recovery, ranged from 64 to 118%, with a median value of 96%. The method developed was successfully applied to investigate the presence of herbicide residues in commercial commodities (mineral water, orange juice, beer, tea, green coffee bean, toasted coffee powder, cocoa bean, white corn flour, rice and sugar samples). © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. 1H(d,2p)n reaction at 2 GeV deuteron energy

    International Nuclear Information System (INIS)

    Erohuml, J.; Fodor, Z.; Koncz, P.; Seres, Z.; Perdrisat, C.F.; Punjabi, V.; Boudard, A.; Bonin, B.; Garcon, M.; Lombard, R.; Mayer, B.; Terrien, Y.; Tomasi, E.; Boivin, M.; Yonnet, J.; Bhang, H.C.; Youn, M.; Belostotsky, S.L.; Grebenuk, O.G.; Nikulin, V.N.; Kudin, L.G.

    1994-01-01

    The 1 H(d,2p)n deuteron breakup reaction was measured at 2 GeV deuteron energy in a kinematically complete experiment. Fivefold differential cross sections are given in a wide range of kinematical variables and analyzed in terms of impulse approximation and NN rescattering. The deuteron momentum density was determined and deviations were found depending on the value of the four-momentum transfer |t| in the scattering process. At low |t| the momentum densities are in good agreement with the impulse approximation whereas large discrepancies were found above q∼200 MeV/c when the four-momentum transfer was large. Various possible origins of the anomalous behavior at high q values are discussed

  8. First use of a laser-driven polarized H/D target at the IUCF cooler

    International Nuclear Information System (INIS)

    Bailey, K.; Brack, J.; Cadman, R. V.; Cummings, W. J.; Fedchak, J.; Fox, B.; Gao, H.; Grosshauser, C.; Holt, R. J.; Jones, C.; Kinney, E.; Kowalczyk, R.; Lu, Z.-T.; Miller, M. A.; Nagengast, W.; Owen, B.; Rith, K.; Schmidt, F.; Schulte, E.; Sowinski, J.; Sperisen, F.; Stenger, J.; Thorsland, E.; Williamson, S.

    1997-01-01

    The HERMES Laser-Driven Target Task Force (Argonne, Erlangen and Illinois) is charged with developing a polarized H/D target for use in the HERA ring at DESY. Rapid progress was made in the beginning of 1996, leading us to the decision to test the target in a realistic experimental environment. In particular, polarizations of 0.6 and flows above 10 18 atoms·s -1 have been achieved on the bench. The laser-driven target and a simple detector system are currently installed in Cooler storage ring at the Indiana University Cyclotron Facility in order to test its applicability to nuclear physics experiments. Target polarizations are being measured using the rvec H(p, p) and rvec D(p, p) reactions. Initial tests were reasonably successful and the target is well along toward becoming viable for nuclear physics

  9. Compact heat and mass exchangers of the plate fin type in thermal sorption systems: Application in an absorption heat pump with the working pair CH3OH-LiBr/ZnBr2

    Science.gov (United States)

    Becker, Harry

    The possible application of Compact Heat and Mass Exchangers (CHME) in a gas fired Absorption Heat Pump (AHP) for domestic heating is studied. The above mentioned heat and mass exchangers are of the plate type. The space between the parallel and plain plates is filled up with corrugated plates of a certain height. The plain and finned plates are stacked and welded together. This gives a heat and mass exchanger which is very compact, expressed by a high area density (m2/m3). This leads to heat and mass transfer processes with small temperature and concentration differences. For testing purposes a pilot plant was built using the above type of components in order to test their heat and/or mass transfer performance. Only the generator is of the Shell And Tube (SAT) type. As the working pair, CH3OH - LiBr/ ZnBr2 was chosen, with the alcohol as the solvent and the salt mixture as the absorbent. This leads to sub atmospheric working pressures with only solvent in the vapor phase. Three series of experiments have been carried out, during which the input parameters were varied over a certain range. It is concluded that the plate fin CHMES are very suitable for application in an AHP for domestic heating purposes.

  10. Attachment for mass exchange apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Maksimenko, M.Z.; Maksimenko, M.M.; Prokopov, O.I.

    1982-01-01

    An attachment is proposed which contains a cylindrical housing in which the windows are profiled with inward bent windows. In order to improve the effectiveness of the attachment by increasing its surface, and mobility, the ends of the housing are equipped with inner annular partitions with radial cross sections. The sections of the partitions between them are bent inwards towards the forming housing in series, from the side of each section. The inward-bent sections of the partitions and the edges are directed to one side or to different sides.

  11. Gas-phase ion/molecule isotope-exchange reactions: methodology for counting hydrogen atoms in specific organic structural environments by chemical ionization mass spectrometry

    International Nuclear Information System (INIS)

    Hunt, D.F.; Sethi, S.K.

    1980-01-01

    Ion/molecule reactions are described which facilitate exchange of hydrogens for deuteriums in a variety of different chemical environments. Aromatic hydrogens in alkylbenzenes, oxygenated benzenes, m-toluidine, m-phenylenediamine, thiophene, and several polycyclic aromatic hydrocarbons and metallocenes are exchanged under positive ion CI conditions by using either D 2 O, EtOD, or ND 3 as the reagent gas. Aromatic hydrogens, benzylic hydrogens, and hydrogens on carbon adjacent to carbonyl groups suffer exchange under negative ion CI conditions in ND 3 , D 2 O, and EtOD, respectively. A possible mechanism for the exchange process is discussed. 1 figure, 2 tables

  12. Development of isotope dilution-liquid chromatography/mass spectrometry combined with standard addition techniques for the accurate determination of tocopherols in infant formula

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Joonhee; Jang, Eun-Sil; Kim, Byungjoo, E-mail: byungjoo@kriss.re.kr

    2013-07-17

    Graphical abstract: -- Highlights: •ID-LC/MS method showed biased results for tocopherols analysis in infant formula. •H/D exchange of deuterated tocopherols in sample preparation was the source of bias. •Standard addition (SA)-ID-LC/MS was developed as an alternative to ID-LC/MS. •Details of calculation and uncertainty evaluation of the SA-IDMS were described. •SA-ID-LC/MS showed a higher-order metrological quality as a reference method. -- Abstract: During the development of isotope dilution-liquid chromatography/mass spectrometry (ID-LC/MS) for tocopherol analysis in infant formula, biased measurement results were observed when deuterium-labeled tocopherols were used as internal standards. It turned out that the biases came from intermolecular H/D exchange and intramolecular H/D scrambling of internal standards in sample preparation processes. Degrees of H/D exchange and scrambling showed considerable dependence on sample matrix. Standard addition-isotope dilution mass spectrometry (SA-IDMS) based on LC/MS was developed in this study to overcome the shortcomings of using deuterium-labeled internal standards while the inherent advantage of isotope dilution techniques is utilized for the accurate recovery correction in sample preparation processes. Details of experimental scheme, calculation equation, and uncertainty evaluation scheme are described in this article. The proposed SA-IDMS method was applied to several infant formula samples to test its validity. The method was proven to have a higher-order metrological quality with providing very accurate and precise measurement results.

  13. Simultaneous separation and determination of six arsenic species in rice by anion-exchange chromatography with inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Ma, Li; Yang, Zhaoguang; Tang, Jie; Wang, Lin

    2016-06-01

    The simultaneous separation and determination of arsenite As(III), arsenate As(V), monomethylarsonic acid (MMA), dimethylarsinic acid (DMA), arsenobetaine (AsB), and arsenocholine (AsC) in rice samples have been carried out in one single anion-exchange column run by high-performance liquid chromatography with inductively coupled plasma mass spectrometry. To estimate the effect of variables on arsenic (As) speciation, the chromatographic conditions including type of competing anion, ionic strength, pH of elution buffer, and flow rate of mobile phase have been investigated by a univariate approach. Under the optimum chromatographic conditions, baseline separation of six As species has been achieved within 10 min by gradient elution program using 4 mM NH4 HCO3 at pH 8.6 as mobile phase A and 4 mM NH4 HCO3 , 40 mM NH4 NO3 at pH 8.6 as mobile phase B. The method detection limits for As(III), As(V), MMA, DMA, AsB, and AsC were 0.4, 0.9, 0.2, 0.4, 0.5, and 0.3 μg/kg, respectively. The proposed method has been applied to separation and quantification of As species in real rice samples collected from Hunan Province, China. The main As species detected in all samples were As(III), As(V) and DMA, with inorganic As accounting for over 80% of total As in these samples. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Detection of lipid-induced structural changes of the Marburg virus matrix protein VP40 using hydrogen/deuterium exchange-mass spectrometry.

    Science.gov (United States)

    Wijesinghe, Kaveesha J; Urata, Sarah; Bhattarai, Nisha; Kooijman, Edgar E; Gerstman, Bernard S; Chapagain, Prem P; Li, Sheng; Stahelin, Robert V

    2017-04-14

    Marburg virus (MARV) is a lipid-enveloped virus from the Filoviridae family containing a negative sense RNA genome. One of the seven MARV genes encodes the matrix protein VP40, which forms a matrix layer beneath the plasma membrane inner leaflet to facilitate budding from the host cell. MARV VP40 (mVP40) has been shown to be a dimeric peripheral protein with a broad and flat basic surface that can associate with anionic phospholipids such as phosphatidylserine. Although a number of mVP40 cationic residues have been shown to facilitate binding to membranes containing anionic lipids, much less is known on how mVP40 assembles to form the matrix layer following membrane binding. Here we have used hydrogen/deuterium exchange (HDX) mass spectrometry to determine the solvent accessibility of mVP40 residues in the absence and presence of phosphatidylserine and phosphatidylinositol 4,5-bisphosphate. HDX analysis demonstrates that two basic loops in the mVP40 C-terminal domain make important contributions to anionic membrane binding and also reveals a potential oligomerization interface in the C-terminal domain as well as a conserved oligomerization interface in the mVP40 N-terminal domain. Lipid binding assays confirm the role of the two basic patches elucidated with HD/X measurements, whereas molecular dynamics simulations and membrane insertion measurements complement these studies to demonstrate that mVP40 does not appreciably insert into the hydrocarbon region of anionic membranes in contrast to the matrix protein from Ebola virus. Taken together, we propose a model by which association of the mVP40 dimer with the anionic plasma membrane facilitates assembly of mVP40 oligomers. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  15. Bulk derivatization and cation exchange restricted access media-based trap-and-elute liquid chromatography–mass spectrometry method for determination of trace estrogens in serum

    International Nuclear Information System (INIS)

    Beinhauer, Jana; Bian, Liangqiao; Fan, Hui; Šebela, Marek; Kukula, Maciej; Barrera, Jose A.

    2015-01-01

    Highlights: • Analysis of estrogens in small volume samples at low parts-per-trillion concentration. • Charged bulk derivatization facilitates on-line ion exchange sample preparation. • On-line WCX restricted access media traps analytes, but not proteins and lipids. • Complete preparation and LC–MS/MS analysis completed in 30 min/sample. - Abstract: Estrone (E1), estradiols (α/β-E2), and estriol (E3) are four major metabolically active estrogens exerting strong biological activities at very low circulating concentrations. This paper reports a sensitive and efficient method with automated, on-line clean-up and detection to determine trace estrogens in a small volume of serum samples using liquid chromatography–electrospray ionization–tandem mass spectrometry directly, without off-line liquid–liquid or solid-phase extraction pretreatments. Serum aliquots (charcoal stripped fetal bovine serum, 100 μL) were spiked with four estrogen standards and their corresponding isotope-labeled internal standards, then bulk derivatized with 2-fluoro-1-methyl-pyridium p-toluenesulfonate (2-FMP) to establish the calibration curves and perform method validation. Calibration was established in the concentration ranges of 5–1000 pg mL −1 , and demonstrated good linearity of R 2 from 0.9944 to 0.9997 for the four derivatized estrogens. The lower detection limits obtained were 3–7 pg mL −1 . Good accuracy and precision in the range of 86–112% and 2.3–11.9%, respectively, were observed for the quality control (QC) samples at low, medium, and high concentration levels. The stability tests showed that the derivatized serum samples were stable 8 h after derivatization at room temperature and at least to 48 h if stored at −20 °C. The method was applied to measure trace estrogens in real human and bovine serum samples, and three of four estrogen compounds studied were observed and quantified

  16. Ion-exchange solid-phase extraction combined with liquid chromatography-tandem mass spectrometry for the determination of veterinary drugs in organic fertilizers.

    Science.gov (United States)

    Zhao, Zhiyong; Zhang, Yanmei; Xuan, Yanfang; Song, Wei; Si, Wenshuai; Zhao, Zhihui; Rao, Qinxiong

    2016-06-01

    The analysis of veterinary drugs in organic fertilizers is crucial for an assessment of potential risks to soil microbial communities and human health. We develop a robust and sensitive method to quantitatively determine 19 veterinary drugs (amantadine, sulfonamides and fluoroquinolones) in organic fertilizers. The method involved a simple solid-liquid extraction step using the combination of acetonitrile and McIlvaine buffer as extraction solvent, followed by cleanup with a solid-phase extraction cartridge containing polymeric mixed-mode anion-exchange sorbents. Ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) was used to separate and detect target analytes. We particularly focused on the optimization of sample clean-up step: different diluents and dilution factors were tested. The developed method was validated in terms of linearity, recovery, precision, sensitivity and specificity. The recoveries of all the drugs ranged from 70.9% to 112.7% at three concentration levels, with the intra-day and inter-day relative standard deviation lower than 15.7%. The limits of quantification were between 1.0 and 10.0μg/kg for all the drugs. Matrix effect was minimized by matrix-matched calibration curves. The analytical method was successfully applied for the survey of veterinary drugs contamination in 20 compost samples. The results indicated that fluoroquinolones had higher incidence rate and mean concentration levels ranging from 31.9 to 308.7μg/kg compared with other drugs. We expect the method will provide the basis for risk assessment of veterinary drugs in organic fertilizers. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Approach to characterization of the higher order structure of disulfide-containing proteins using hydrogen/deuterium exchange and top-down mass spectrometry.

    Science.gov (United States)

    Wang, Guanbo; Kaltashov, Igor A

    2014-08-05

    Top-down hydrogen/deuterium exchange (HDX) with mass spectrometric (MS) detection has recently matured to become a potent biophysical tool capable of providing valuable information on higher order structure and conformational dynamics of proteins at an unprecedented level of structural detail. However, the scope of the proteins amenable to the analysis by top-down HDX MS still remains limited, with the protein size and the presence of disulfide bonds being the two most important limiting factors. While the limitations imposed by the physical size of the proteins gradually become more relaxed as the sensitivity, resolution and dynamic range of modern MS instrumentation continue to improve at an ever accelerating pace, the presence of the disulfide linkages remains a much less forgiving limitation even for the proteins of relatively modest size. To circumvent this problem, we introduce an online chemical reduction step following completion and quenching of the HDX reactions and prior to the top-down MS measurements of deuterium occupancy of individual backbone amides. Application of the new methodology to the top-down HDX MS characterization of a small (99 residue long) disulfide-containing protein β2-microglobulin allowed the backbone amide protection to be probed with nearly a single-residue resolution across the entire sequence. The high-resolution backbone protection pattern deduced from the top-down HDX MS measurements carried out under native conditions is in excellent agreement with the crystal structure of the protein and high-resolution NMR data, suggesting that introduction of the chemical reduction step to the top-down routine does not trigger hydrogen scrambling either during the electrospray ionization process or in the gas phase prior to the protein ion dissociation.

  18. Structural Dynamics of the GW182 Silencing Domain Including its RNA Recognition motif (RRM) Revealed by Hydrogen-Deuterium Exchange Mass Spectrometry

    Science.gov (United States)

    Cieplak-Rotowska, Maja K.; Tarnowski, Krzysztof; Rubin, Marcin; Fabian, Marc R.; Sonenberg, Nahum; Dadlez, Michal; Niedzwiecka, Anna

    2018-01-01

    The human GW182 protein plays an essential role in micro(mi)RNA-dependent gene silencing. miRNA silencing is mediated, in part, by a GW182 C-terminal region called the silencing domain, which interacts with the poly(A) binding protein and the CCR4-NOT deadenylase complex to repress protein synthesis. Structural studies of this GW182 fragment are challenging due to its predicted intrinsically disordered character, except for its RRM domain. However, detailed insights into the properties of proteins containing disordered regions can be provided by hydrogen-deuterium exchange mass spectrometry (HDX/MS). In this work, we applied HDX/MS to define the structural state of the GW182 silencing domain. HDX/MS analysis revealed that this domain is clearly divided into a natively unstructured part, including the CCR4-NOT interacting motif 1, and a distinct RRM domain. The GW182 RRM has a very dynamic structure, since water molecules can penetrate the whole domain in 2 h. The finding of this high structural dynamics sheds new light on the RRM structure. Though this domain is one of the most frequently occurring canonical protein domains in eukaryotes, these results are - to our knowledge - the first HDX/MS characteristics of an RRM. The HDX/MS studies show also that the α2 helix of the RRM can display EX1 behavior after a freezing-thawing cycle. This means that the RRM structure is sensitive to environmental conditions and can change its conformation, which suggests that the state of the RRM containing proteins should be checked by HDX/MS in regard of the conformational uniformity. [Figure not available: see fulltext.

  19. Resistivity behavior in isothermal annealing of Pd-H(D) alloys around 50 K

    International Nuclear Information System (INIS)

    Yamakawa, Kohji; Maeta, Hiroshi

    2004-01-01

    The behavior of electrical resistivity during hydrogen (deuterium) ordering is investigated for Pd-H(D) alloys of various hydrogen concentrations around 50 K. The disordered hydrogen (deuterium) atoms are introduced by quenching from 100 K into liquid helium immediately before isothermal annealings. The disordered atoms order by migration of the atoms during the heating-up of the specimens. On the isothermal curves of the resistivity in the high temperature range, the resistivity increases at first and then adopts a constant value dependent on the annealing temperature. On the other hand, the resistivity increases and then decreases during isothermal annealing in the low temperature range, nevertheless the ordering is progressing. The annealing time, at which the resistivity maximum appears, and the resistivity value of the maximum increase with decreasing annealing temperature. Furthermore, the decreasing resistivity after the maximum saturates to a value dependent on each annealing temperature. Therefore, it becomes clear that an equilibrium amount of ordering depends on the temperature and the resistivity increases in the early stage of hydrogen (deuterium) ordering and decreases in the later stage. The resistivity maximum in the isothermal annealing curve is caused by the nucleation and growth of ordered domains of hydrogen (deuterium) atoms

  20. Supercritical fluid in the mantle transition zone deduced from H-D interdiffusion of wadsleyite

    Science.gov (United States)

    Sun, Wei; Yoshino, Takashi; Sakamoto, Naoya; Yurimoto, Hisayoshi

    2018-02-01

    Knowledge of the distribution of water in the Earth's mantle is key to understanding the mantle convection and geochemical evolution of the Earth. As wadsleyite and ringwoodite can incorporate large amounts of water in their crystal structures, proton conduction has been invoked to account for the widespread conductive anomalies observed in the mantle wedge, where descending slab stagnates at the transition zone. However, there is a lot of controversy on whether proton conduction by itself is able to explain such anomalies, because of large discrepancy in the extent of the water effect deduced from previous electrical conductivity measurements on hydrous polycrystalline wadsleyite and ringwoodite. Here we report the hydrogen self-diffusion coefficient obtained from H-D interdiffusion experiments in wadsleyite single-crystal couples. Our results demonstrate that the effect of water on the electrical conductivity of wadsleyite is limited and hydrous wadsleyite by itself is unable to explain conductive anomalies in the transition zone. In contrast, the expected hydrogen effective diffusion does not allow the wide propagation of water between the stagnant slab and surrounding mantle, probably leading to persistence of local water saturation and continuous release of supercritical fluids at the stagnant slab roof on geological time scales. This phenomenon provides an alternative explanation for both the high-conductivity and seismic-velocity anomalies observed in the mantle wedge at the transition-zone depth.

  1. Co-existence of two different α-synuclein oligomers with different core structures determined by hydrogen/deuterium exchange mass spectrometry

    DEFF Research Database (Denmark)

    Paslawski, Wojciech; Mysling, Simon; Thomsen, Karen

    2014-01-01

    Neurodegenerative disorders are characterized by the formation of protein oligomers and amyloid fibrils, which in the case of Parkinson's disease involves the protein α-synuclein (αSN). Cytotoxicity is mainly associated with the oligomeric species, but we still know little about their assembly...... are protected from exchange with D2 O until they dissociate into monomeric αSN by EX1 exchange kinetics. Fewer residues are protected against exchange in oligomer type II, but this type does not revert to αSN monomers. Both oligomers are protected in the core sequence Y39-A89. Based on incubation studies...

  2. “What’s in a Name?”: H.D.’s Re-Vision of Shakespeare

    Directory of Open Access Journals (Sweden)

    Claire Conilleau

    2010-09-01

    Full Text Available H.D. is both a familiar figure of the Imagist movement fashioned by Ezra Pound and an elusive author of “high modernism.” Primarily known as a poet, H.D. wrote a lot of posthumously published autobiographical prose to disentangle herself from the enshrouding influence of Imagism and the “war trauma.” Shakespeare is a powerful ally for he embodies the intersection between the personal and the literary, the real and the fictional. His plays underwrite H.D.’s autobiographical prose in relation to family, history and identity. H.D. excavates Shakespeare and his plays to reinscribe them in a new body of work – a strategy which enables her to engage with the male literary history and re-vise it by establishing a familial rather than adversarial relation to tradition. This article envisions the complex interactions between Shakespeare’s text and H.D.’s prose as the cornerstone of her positioning as woman writer in the economy of literary creation. It explores the creative diversions and reappropriations of Shakespeare’s plays that H.D. resorts to, especially her play with onomastics, the evocations and inscriptions of the Bard and his plays in the body of her works as well as a lesser known text, By Avon River, whose theme is Shakespeare himself.H.D. est à la fois une figure familière du mouvement Imagiste façonné par Ezra Pound et un auteur insaisissable du modernisme historique. Essentiellement connue comme poète, H.D. a pourtant produit de nombreux textes en prose à caractère autobiographique, qui n’ont pas été publiés de son vivant, pour s’affranchir du carcan imagiste et des traumatismes de la Guerre. Shakespeare est un allié précieux car il incarne la jonction entre le personnel et le littéraire, le réel et le fictionnel. Ses pièces sous-tendent la prose autobiographique de H.D. en rapport à la famille, l’histoire et l’identité. H.D. déterre l’auteur et ses textes pour les réinscrire dans un nouveau

  3. Bulk derivatization and cation exchange restricted access media-based trap-and-elute liquid chromatography–mass spectrometry method for determination of trace estrogens in serum

    Energy Technology Data Exchange (ETDEWEB)

    Beinhauer, Jana [Department of Biochemistry, Faculty of Science, Palacký University, Šlechtitelů 11, CZ-783 71 Olomouc (Czech Republic); Centre of the Region Haná for Biotechnological and Agricultural Research - Department of Protein Biochemistry and Proteomics, Faculty of Science, Palacký University, Šlechtitelů 11, CZ-783 71 Olomouc (Czech Republic); Bian, Liangqiao [Shimadzu Center for Advanced Analytical Chemistry, The University of Texas at Arlington, Arlington, TX (United States); Shimadzu Institute for Research Technologies, The University of Texas at Arlington, Arlington, TX (United States); Fan, Hui [Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, TX (United States); Šebela, Marek [Department of Biochemistry, Faculty of Science, Palacký University, Šlechtitelů 11, CZ-783 71 Olomouc (Czech Republic); Centre of the Region Haná for Biotechnological and Agricultural Research - Department of Protein Biochemistry and Proteomics, Faculty of Science, Palacký University, Šlechtitelů 11, CZ-783 71 Olomouc (Czech Republic); Kukula, Maciej [Shimadzu Center for Advanced Analytical Chemistry, The University of Texas at Arlington, Arlington, TX (United States); Shimadzu Institute for Research Technologies, The University of Texas at Arlington, Arlington, TX (United States); Barrera, Jose A. [Shimadzu Institute for Research Technologies, The University of Texas at Arlington, Arlington, TX (United States); and others

    2015-02-09

    Highlights: • Analysis of estrogens in small volume samples at low parts-per-trillion concentration. • Charged bulk derivatization facilitates on-line ion exchange sample preparation. • On-line WCX restricted access media traps analytes, but not proteins and lipids. • Complete preparation and LC–MS/MS analysis completed in 30 min/sample. - Abstract: Estrone (E1), estradiols (α/β-E2), and estriol (E3) are four major metabolically active estrogens exerting strong biological activities at very low circulating concentrations. This paper reports a sensitive and efficient method with automated, on-line clean-up and detection to determine trace estrogens in a small volume of serum samples using liquid chromatography–electrospray ionization–tandem mass spectrometry directly, without off-line liquid–liquid or solid-phase extraction pretreatments. Serum aliquots (charcoal stripped fetal bovine serum, 100 μL) were spiked with four estrogen standards and their corresponding isotope-labeled internal standards, then bulk derivatized with 2-fluoro-1-methyl-pyridium p-toluenesulfonate (2-FMP) to establish the calibration curves and perform method validation. Calibration was established in the concentration ranges of 5–1000 pg mL{sup −1}, and demonstrated good linearity of R{sup 2} from 0.9944 to 0.9997 for the four derivatized estrogens. The lower detection limits obtained were 3–7 pg mL{sup −1}. Good accuracy and precision in the range of 86–112% and 2.3–11.9%, respectively, were observed for the quality control (QC) samples at low, medium, and high concentration levels. The stability tests showed that the derivatized serum samples were stable 8 h after derivatization at room temperature and at least to 48 h if stored at −20 °C. The method was applied to measure trace estrogens in real human and bovine serum samples, and three of four estrogen compounds studied were observed and quantified.

  4. Different conformational dynamics of β-arrestin1 and β-arrestin2 analyzed by hydrogen/deuterium exchange mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Youngjoo; Kim, Dong Kyun [School of Pharmacy, Sungkyunkwan University, Suwon (Korea, Republic of); Seo, Min-Duk [College of Pharmacy & Department of Molecular Science and Technology, Ajou University, Suwon (Korea, Republic of); Kim, Kyeong-Man [College of Pharmacy, Chonnam National University, Gwang-Ju (Korea, Republic of); Chung, Ka Young, E-mail: kychung2@skku.edu [School of Pharmacy, Sungkyunkwan University, Suwon (Korea, Republic of)

    2015-01-30

    Highlights: • The conformational dynamics of β-arrestin1 or β-arrestin2 were analyzed by HDX-MS. • β-Strands II through IV were more dynamic in β-arrestin2 than in β-arrestin1. • The middle loop was less dynamic in β-arrestin2 than in β-arrestin1. • Upon pre-activation by the R169E mutation, β-arrestins became more dynamic. • Pre-activation affected a wider region of β-arrestin1 compared to β-arrestin2. - Abstract: Arrestins have important roles in G protein-coupled receptor (GPCR) signaling including desensitization of GPCRs and G protein-independent signaling. There have been four arrestins identified: arrestin1, arrestin2 (e.g. β-arrestin1), arrestin3 (e.g. β-arrestin2), and arrestin4. β-Arrestin1 and β-arrestin2 are ubiquitously expressed and regulate a broad range of GPCRs, while arrestin1 and arrestin4 are expressed in the visual system. Although the functions of β-arrestin1 and β-arrestin2 widely overlap, β-arrestin2 has broader receptor selectivity, and a few studies have suggested that β-arrestin1 and β-arrestin2 have distinct cellular functions. Here, we compared the conformational dynamics of β-arrestin1 and β-arrestin2 by hydrogen/deuterium exchange mass spectrometry (HDX-MS). We also used the R169E mutant as a pre-activation model system. HDX-MS data revealed that β-strands II through IV were more dynamic in β-arrestin2 in the basal state, while the middle loop was more dynamic in β-arrestin1. With pre-activation, both β-arrestin1 and β-arrestin2 became more flexible, but broader regions of β-arrestin1 became flexible compared to β-arrestin2. The conformational differences between β-arrestin1 and β-arrestin2 in both the basal and pre-activated states might determine their different receptor selectivities and different cellular functions.

  5. Time resolved native ion-mobility mass spectrometry to monitor dynamics of IgG4 Fab arm exchange and "bispecific" monoclonal antibody formation.

    Science.gov (United States)

    Debaene, François; Wagner-Rousset, Elsa; Colas, Olivier; Ayoub, Daniel; Corvaïa, Nathalie; Van Dorsselaer, Alain; Beck, Alain; Cianférani, Sarah

    2013-10-15

    Monoclonal antibodies (mAbs) and derivatives such as antibody-drug conjugates (ADC) and bispecific antibodies (bsAb), are the fastest growing class of human therapeutics. Most of the therapeutic antibodies currently on the market and in clinical trials are chimeric, humanized, and human immunoglobulin G1 (IgG1). An increasing number of IgG2s and IgG4s that have distinct structural and functional properties are also investigated to develop products that lack or have diminished antibody effector functions compared to IgG1. Importantly, wild type IgG4 has been shown to form half molecules (one heavy chain and one light chain) that lack interheavy chain disulfide bonds and form intrachain disulfide bonds. Moreover, IgG4 undergoes a process of Fab-arm exchange (FAE) in which the heavy chains of antibodies of different specificities can dissociate and recombine in bispecific antibodies both in vitro and in vivo. Here, native mass spectrometry (MS) and time-resolved traveling wave ion mobility MS (TWIM-MS) were used for the first time for online monitoring of FAE and bsAb formation using Hz6F4-2v3 and natalizumab, two humanized IgG4s which bind to human Junctional Adhesion Molecule-A (JAM-A) and alpha4 integrin, respectively. In addition, native MS analysis of bsAb/JAM-A immune complexes revealed that bsAb can bind up to two antigen molecules, confirming that the Hz6F4 family preferentially binds dimeric JAM-A. Our results illustrate how IM-MS can rapidly assess bsAb structural heterogeneity and be easily implemented into MS workflows for bsAb production follow up and bsAb/antigen complex characterization. Altogether, these results provide new MS-based methodologies for in-depth FAE and bsAb formation monitoring. Native MS and IM-MS will play an increasing role in next generation biopharmaceutical product characterization like bsAbs, antibody mixtures, and antibody-drug conjugates (ADC) as well as for biosimilar and biobetter antibodies.

  6. Differential cross sections for transfer into the 2S state of hydrogen: H+ + H2, H+ + D2

    International Nuclear Information System (INIS)

    Williams, D.G.; Lee, A.R.; Butcher, E.C.

    1986-01-01

    Differential cross sections for electron capture into the 2S state of hydrogen are presented for the reactions H + + H 2 and H + + D 2 . The results are for laboratory collision energies between 3.3 and 24 keV and scattering angles between 30 and 90'. The measurements expand on the results previously presented. (author)

  7. Speciation of selenoamino acids, selenonium ions and inorganic selenium by ion exchange HPLC with mass spectrometric detection and its application to yeast and algae

    DEFF Research Database (Denmark)

    Larsen, Erik Huusfeldt; Hansen, M.; Fan, T.

    2001-01-01

    Cation and anion exchange HPLC were used to separate a mixture of 12 selenium species comprising selenoamino acids, selenonium ions and inorganic selenium. The cationic species were separated from each other and from the co-injected anions using a cation exchange column with gradient elution...... by aqueous pyridinium formate at pH similar to 3 as the mobile phase. The anionic species were separated using an anion exchange column with isocratic elution by an aqueous salicylate-TRIS mobile phase at pH 8.5. The separated selenium species were detected as Se-80 by ICP-dynamic reaction cell (DRC...... acid extract of Chlorella algae contained dimethylselenonium propionate (DMSeP), which was verified by HPLC-ES-MS. Se-allylselenocysteine and selenoethionine was detected at the low ng g(-1) concentration level based on co-chromatography with the standard substances spiked to the algal extract....

  8. Optimization of Heat Exchangers

    International Nuclear Information System (INIS)

    Catton, Ivan

    2010-01-01

    The objective of this research is to develop tools to design and optimize heat exchangers (HE) and compact heat exchangers (CHE) for intermediate loop heat transport systems found in the very high temperature reator (VHTR) and other Generation IV designs by addressing heat transfer surface augmentation and conjugate modeling. To optimize heat exchanger, a fast running model must be created that will allow for multiple designs to be compared quickly. To model a heat exchanger, volume averaging theory, VAT, is used. VAT allows for the conservation of mass, momentum and energy to be solved for point by point in a 3 dimensional computer model of a heat exchanger. The end product of this project is a computer code that can predict an optimal configuration for a heat exchanger given only a few constraints (input fluids, size, cost, etc.). As VAT computer code can be used to model characteristics (pumping power, temperatures, and cost) of heat exchangers more quickly than traditional CFD or experiment, optimization of every geometric parameter simultaneously can be made. Using design of experiment, DOE and genetric algorithms, GE, to optimize the results of the computer code will improve heat exchanger design.

  9. Determination of mycophenolic acid in mest products using mixed mode reversed phase-anion exchange clean-up and liquid chromatography-high-resolution mass spectrometry

    DEFF Research Database (Denmark)

    Sørensen, Louise Marie; Nielsen, Kristian Fog; Jacobsen, Thomas

    2008-01-01

    A method for determination of mycophenolic acid (MPA) in dry-cured ham, fermented sausage and liver pate is described. MPA was extracted from meat with bicarbonate-acetonitrile, further cleaned-up by mixed mode reversed phase-anion exchange and detected using a LC-MS system with electrospray...

  10. Rapid isolation of plutonium in environmental solid samples using sequential injection anion exchange chromatography followed by detection with inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Qiao Jixin, E-mail: jixin.qiao@risoe.d [Radiation Research Division, Riso National Laboratory for Sustainable Energy, Technical University of Denmark, DK-4000 Roskilde (Denmark); Hou Xiaolin; Roos, Per [Radiation Research Division, Riso National Laboratory for Sustainable Energy, Technical University of Denmark, DK-4000 Roskilde (Denmark); Miro, Manuel [Department of Chemistry, Faculty of Sciences, University of the Balearic Islands, Carretera de Valldemossa km. 7.5, E-07122 Palma de Mallorca, Illes Balears (Spain)

    2011-01-31

    This paper reports an automated analytical method for rapid determination of plutonium isotopes ({sup 239}Pu and {sup 240}Pu) in environmental solid extracts. Anion exchange chromatographic columns were incorporated in a sequential injection (SI) system to undertake the automated separation of plutonium from matrix and interfering elements. The analytical results most distinctly demonstrated that the crosslinkage of the anion exchanger is a key parameter controlling the separation efficiency. AG 1-x4 type resin was selected as the most suitable sorbent material for analyte separation. Investigation of column size effect upon the separation efficiency revealed that small-sized (2 mL) columns sufficed to handle up to 50 g of environmental soil samples. Under the optimum conditions, chemical yields of plutonium exceeded 90% and the decontamination factors for uranium, thorium and lead ranged from 10{sup 3} to 10{sup 4}. The determination of plutonium isotopes in three standard/certified reference materials (IAEA-375 soil, IAEA-135 sediment and NIST-4359 seaweed) and two reference samples (Irish Sea sediment and Danish soil) revealed a good agreement with reference/certified values. The SI column-separation method is straightforward and less labor intensive as compared with batch-wise anion exchange chromatographic procedures. Besides, the automated method features low consumption of ion-exchanger and reagents for column washing and elution, with the consequent decrease in the generation of acidic waste, thus bearing green chemical credentials.

  11. Combined cation-exchange and extraction chromatographic method of pre-concentration and concomitant separation of Cu(II) with high molecular mass liquid cation exchanger after its online detection.

    Science.gov (United States)

    Mandal, B; Roy, U S; Datta, D; Ghosh, N

    2011-08-19

    A selective method has been developed for the extraction chromatographic trace level separation of Cu(II) with Versatic 10 (liquid cation exchanger) coated on silanised silica gel (SSG-V10). Cu(II) has been extracted from 0.1M acetate buffer at the range of pH 4.0-5.5. The effects of foreign ions, pH, flow-rate, stripping agents on extraction and elution have been investigated. Exchange capacity of the prepared exchanger at different temperatures with respect to Cu(II) has been determined. The extraction equilibrium constant (K(ex)) and different standard thermodynamic parameters have also been calculated by temperature variation method. Positive value of ΔH (7.98 kJ mol⁻¹) and ΔS (0.1916 kJ mol⁻¹) and negative value of ΔG (-49.16 kJ mol⁻¹) indicated that the process was endothermic, entropy gaining and spontaneous. Preconcentration factor was optimized at 74.7 ± 0.2 and the desorption constants K(desorption)¹(1.4 × 10⁻²) and K(desorption)²(9.8 × 10⁻²) were determined. The effect of pH on R(f) values in ion exchange paper chromatography has been investigated. In order to investigate the sorption isotherm, two equilibrium models, the Freundlich and Langmuir isotherms, were analyzed. Cu(II) has been separated from synthetic binary and multi-component mixtures containing various metal ions associated with it in ores and alloy samples. The method effectively permits sequential separation of Cu(II) from synthetic quaternary mixture containing its congeners Bi(III), Sn(II), Hg(II) and Cu(II), Cd(II), Pb(II) of same analytical group. The method was found effective for the selective detection, removal and recovery of Cu(II) from industrial waste and standard alloy samples following its preconcentration on the column. A plausible mechanism for the extraction of Cu(II) has been suggested. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Heat exchanger

    International Nuclear Information System (INIS)

    Dostatni, A.W.; Dostatni, Michel.

    1976-01-01

    In the main patent, a description was given of a heat exchanger with an exchange surface in preformed sheet metal designed for the high pressure and temperature service particularly encountered in nuclear pressurized water reactors and which is characterised by the fact that it is composed of at least one exchanger bundle sealed in a containment, the said bundle or bundles being composed of numerous juxtaposed individual compartments whose exchange faces are built of preformed sheet metal. The present addendun certificate concerns shapes of bundles and their positioning methods in the exchanger containment enabling its compactness to be increased [fr

  13. Laboratory-Scale Column Testing Using IONSIV IE-911 for Removing Cesium from Acidic Tank Waste Simulant. 2: Determination of Cesium Exchange Capacity and Effective Mass Transfer Coefficient from a 500-cm3 Column Experiment

    International Nuclear Information System (INIS)

    T.J. Tranter; R.D. Tillotson; T.A. Todd

    2005-01-01

    A semi-scale column test was performed using a commercial form of crystalline silicotitanate (CST) for removing radio-cesium from a surrogate acidic tank solution, which represents liquid waste stored at the Idaho National Engineering and Environmental Laboratory (INEEL). The engineered form of CST ion exchanger, known as IONSIVtmIE-911 (UOP, Mt. Laurel, NJ, USA), was tested in a 500-cm3 column to obtain a cesium breakthrough curve. The cesium exchange capacity of this column matched that obtained from previous testing with a 15-mc3 column. A numerical algorithm using implicit finite difference approximations was developed to solve the governing mass transport equations for the CST columns. An effective mass transfer coefficient was derived from solving these equations for previously reported 15 cm3 tests. The effective mass transfer coefficient was then used to predict the cesium breakthrough curve for the 500-cm3 column and compared to the experimental data reported in this paper. The calculated breakthrough curve showed excellent agreement with the data from the 500-cm3 column even though the interstitial velocity was a factor of two greater. Thus, this approach should provide a reasonable method for scale up to larger columns for treating actual tank waste

  14. Modélisation du champ magnétique d'un propulseur M.H.D. annulaire

    OpenAIRE

    Kom , C.; Brunet , Y.

    1995-01-01

    Pour des raisons de discrétion, les champs de fuite doivent être minimisés en propulsion M.H.D. où les champs magnétiques doivent être intenses. Le calcul du champ magnétique d'un propulseur M.H.D. naval annulaire, constitué de secteurs inducteurs supraconducteurs est représenté. Dans la zone active, hors des têtes de bobines, une formulation analytique peut être utilisée. Une méthode analytique utilisant le développemment en série de Fourier du courant est adoptée pour les industeurs cylindr...

  15. Modélisation du champ magnétique d'un propulseur M.H.D. annulaire

    Science.gov (United States)

    Kom, C. H.; Brunet, Y.

    1995-01-01

    Stray fields have to be as small as possible to reduce the magnetic signature of the vessel in M.H.D. propulsion where the magnetic field has to be very high. The calculation of the magnetic field of an angular M.H.D. thruster is presented. The field is produced by a distribution of superconducting magnets in the shape of sectors. An analytical formulation of the field can be used in the active zone, outside the coil ends. An analytical method using a Fourier development of the current sheets is employed for an inductor in cylindrical sectors, and a direct method is used for a massive inductor. Numerical and analytical results are compared. Pour des raisons de discrétion, les champs de fuite doivent être minimisés en propulsion M.H.D. où les champs magnétiques doivent être intenses. Le calcul du champ magnétique d'un propulseur M.H.D. naval annulaire, constitué de secteurs inducteurs supraconducteurs est représenté. Dans la zone active, hors des têtes de bobines, une formulation analytique peut être utilisée. Une méthode analytique utilisant le développemment en série de Fourier du courant est adoptée pour les industeurs cylindriques, et une méthode directe pour les inducteurs massifs. Les résultats numériques sont comparés à ceux obtenus avec un logiciel d'éléments finis 2D.

  16. Quality of carcasses in I.H.D.H. foals reared in the province of Bari (Italy

    Directory of Open Access Journals (Sweden)

    P. Centoducati

    2010-01-01

    Full Text Available There has been a new development in recent years in the province of Bari: Italian Heavy Draught Horse (I.H.D.H. raising for meat production. The interest of breeders in this new zootechnical development has steadily grown, but in the import-export balance of horsemeat, Italy is almost completely dependent on the countries of the East, importing every year 120,000 animals (ISTAT 2003, the real origin of which is impossible to determine.

  17. Ambient dose equivalent H*(d) - an appropriate philosophy for radiation monitoring onboard aircraft and in space?

    International Nuclear Information System (INIS)

    Vana, N.; Hajek, M.; Berger, T.

    2003-01-01

    In this paper authors deals with the ambient dose equivalent H * (d) and their application for onboard Aircraft and Space station. The discussion and the carried out experiments demonstrated that the philosophy of H * (10) leads to an underestimation of the whole-body radiation exposure when applied onboard aircraft and in space. It therefore has to be considered to introduce a new concept that could be based on microdosimetric principles, offering the unique potential of a more direct correlation to radiobiological parameters

  18. Application of the two-film theory to the determination of mass transfer coefficients for bovine serum albumin on anion-exchange columns

    DEFF Research Database (Denmark)

    Hansen, Ernst; Mollerup, Jørgen

    1999-01-01

    The paper describes a method of simultaneous determination of the external and the solid phase mass-transfer coefficients from frontal analysis data. The protein flux to the solid particles is determined from the slope of the breakthrough curve and the mass-transfer coefficients are determined...

  19. Observation of a meson X → 2γ, with mass 2.85 GeV/c2, produced in the charge-exchange reaction π-p→Xn at 40 Gev/c

    International Nuclear Information System (INIS)

    Apel, W.D.; Augenstein, K.H.; Bertolucci, E.; Donskov, S.V.; Inyakin, A.V.; Kachanov, V.A.; Krasnokutsky, R.N.; Kruger, M.; Leder, G.; Lednev, A.A.; Mannelli, I.; Mikhailov, Yu.V.; Mueller, H.; Pierazzini, G.M.; Prokoshkin, Yu.D.; Quaglia, M.; Schneider, H.; Scribano, A.; Sergiampietri, F.; Shuvalov, R.S.; Sigurdsson, G.; Toropin, A.N.; Vincelli, M.L.

    1978-01-01

    The invariant mass spectrum of neutral final states produced in π - p charge-exchange scattering at 40 GeV/c has been studied, searching for heavy particles decaying into 2γ. A peak is observed around 2.85 GeV/c 2 . The cross section of the reaction π - p→X(2.85)+n, times the branching ratio of the X→2γ decay, is measured to be sigma X BR approximately =2X10 -34 cm 2 . (Auth.)

  20. On the isotope effects of ZrCoX3 (X = H, D and T): a first-principles study

    International Nuclear Information System (INIS)

    Chattaraj, D.; Parida, S.C.; Dash, Smruti; Majumder, C.

    2013-01-01

    In the ITER project, the ZrCo-X (X= H, D and T) systems have gained considerable attention because of its use in the hydrogen isotope storage. The isotopic effects on the ZrCoX 3 (X= H, D and T) compounds have been studied in terms of the variation of the thermodynamic parameters using the DFT and frozen phonon approach. A significant difference between the ZrCoH 3 and its isotopic analogues has been noticed in terms of zero point energy (ZPE) and phonon frequencies. The zero point energies are 65.47 kJ/mol, 48.07 kJ/mol and 39.32 kJ/mol for ZrCoH 3 , ZrCoD 3 and ZrCoT 3 , respectively. The enthalpy of formation of ZrCoX 3 compounds, including the ZPE contributions, are -124.84, -142.24 and -150.99 kJ/(mole of compound) for X = H, D and T, respectively. (author)

  1. Comparison of mass transfer coefficient approach and Nernst-Planck formulation in the reactive transport modeling of Co, Ni, and Ag removal by mixed-bed ion-exchange resins

    International Nuclear Information System (INIS)

    Bachet, Martin; Jauberty, Loic; De Windt, Laurent; Dieuleveult, Caroline de; Tevissen, Etienne

    2014-01-01

    Experiments performed under chemical and flow conditions representative of pressurized water reactors (PWR) primary fluid purification by ion exchange resins (Amberlite IRN9882) are modeled with the OPTIPUR code, considering 1D reactive transport in the mixed-bed column with convective/dispersive transport between beads and electro-diffusive transport within the boundary film around the beads. The effectiveness of the purification in these dilute conditions is highly related to film mass transfer restrictions, which are accounted for by adjustment of a common mass transfer coefficient (MTC) on the experimental initial leakage or modeling of species diffusion through the bead film by the Nernst-Planck equation. A detailed analysis of the modeling against experimental data shows that the Nernst-Planck approach with no adjustable parameters performs as well as, or better than, the MTC approach, particularly to simulate the chromatographic elution of silver by nickel and the subsequent enrichment of the solution in the former metal. (authors)

  2. A Multidimensional System for Phosphopeptide Analysis Using TiO{sub 2} Enrichment and Ion-exchange Chromatography with Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Kun; Yoo, Jisun; Kim, Eunmin; Kim, Jin Young; Kim, Young Hwan; Yoo, Jong Shin [Korea Basic Science Institute, Ochang (Korea, Republic of); Oh, Han Bin [Sogang Univ., Seoul (Korea, Republic of)

    2012-10-15

    Although offline enrichment of phosphorylated peptides is widely used, enrichment for phosphopeptides using TiO{sub 2} is often performed manually, which is labor-intensive and can lead to irreproducible results. To address the problems associated with offline enrichment and to improve the effectiveness of phosphopeptide detection, we developed an automated online enrichment system for phosphopeptide analysis. A standard protein mixture comprising BSA, fetuin, crystalline, α-casein and β-casein, and ovalbumin was assessed using our new system. Our multidimensional system has four main parts: a sample pump, a 20-mm TiO{sub 2}-based column, a weak anion-exchange, and a strong cation-exchange (2:1 WAX:SCX) separation column with LC/MS. Phosphorylated peptides were successfully detected using the TiO{sub 2}-based online system with little interference from nonphosphorylated peptides. Our results confirmed that our online enrichment system is a simple and efficient method for detecting phosphorylated peptides.

  3. Development of anion-exchange/reversed-phase high performance liquid chromatography-inductively coupled plasma-mass spectrometry methods for the speciation of bio-available iodine and bromine from edible seaweed.

    Science.gov (United States)

    Romarís-Hortas, Vanessa; Bermejo-Barrera, Pilar; Moreda-Piñeiro, Antonio

    2012-05-04

    Anion exchange high performance liquid chromatography hyphenated with inductively coupled plasma-mass spectrometry has been novelly applied to assess inorganic (iodide and iodate) and organic (3-iodotyrosine - MIT, and 3,5-diiodotyrosine - DIT) iodine species in a single chromatographic run. The optimized operating conditions (Dionex IonPac AS7, gradient elution with 175 mM ammonium nitrate plus 15% (v/v) methanol, pH 3.8, as a mobile phase and flow rates within the 0.5-1.5 mL min(-1) range) have also been used to perform inorganic bromine speciation analysis (bromide and bromate). The developed method has been applied for determining the bio-available contents of iodine and bromine species in dialyzates from edible seaweed. Reverse phase high performance liquid chromatography (Zorbax Eclipse XDB-C8, gradient elution with 0.2% (m/m) acetic acid, and 0.2% (m/m) acetic acid in methanol, as mobile phases, and a constant flow rate of 0.75 mL min(-1)) also hyphenated with inductively coupled plasma-mass spectrometry was used to confirm the presence of organic iodine species (MIT and DIT) in the dialyzates. The verification of the presence of iodinated amino acids (MIT and DIT) in the extracts was also performed by reverse phase high performance liquid chromatography-electrospray ionization-mass spectrometry (LTQ Orbitrap). The developed methods have provided good repeatability (RSD values lower than 10% for both anion exchange and reverse phase separations) and analytical recoveries within the 90-105% range for all cases. The in vitro bio-availability method consisted of a simulated gastric and an intestinal digestion/dialysis (10 kDa molecular weight cut-off - MWCO) two-stage procedure. Iodide and MIT were the main bio-available species quantified, whereas bromide was the major bromine species found in the extracts. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Next Generation Microchannel Heat Exchangers

    CERN Document Server

    Ohadi, Michael; Dessiatoun, Serguei; Cetegen, Edvin

    2013-01-01

    In Next Generation Microchannel Heat Exchangers, the authors’ focus on the new generation highly efficient heat exchangers and presentation of novel data and technical expertise not available in the open literature.  Next generation micro channels offer record high heat transfer coefficients with pressure drops much less than conventional micro channel heat exchangers. These inherent features promise fast penetration into many mew markets, including high heat flux cooling of electronics, waste heat recovery and energy efficiency enhancement applications, alternative energy systems, as well as applications in mass exchangers and chemical reactor systems. The combination of up to the minute research findings and technical know-how make this book very timely as the search for high performance heat and mass exchangers that can cut costs in materials consumption intensifies.

  5. Heat exchanger

    International Nuclear Information System (INIS)

    Leigh, D.G.

    1976-01-01

    The arrangement described relates particularly to heat exchangers for use in fast reactor power plants, in which heat is extracted from the reactor core by primary liquid metal coolant and is then transferred to secondary liquid metal coolant by means of intermediate heat exchangers. One of the main requirements of such a system, if used in a pool type fast reactor, is that the pressure drop on the primary coolant side must be kept to a minimum consistent with the maintenance of a limited dynamic head in the pool vessel. The intermediate heat exchanger must also be compact enough to be accommodated in the reactor vessel, and the heat exchanger tubes must be available for inspection and the detection and plugging of leaks. If, however, the heat exchanger is located outside the reactor vessel, as in the case of a loop system reactor, a higher pressure drop on the primary coolant side is acceptable, and space restriction is less severe. An object of the arrangement described is to provide a method of heat exchange and a heat exchanger to meet these problems. A further object is to provide a method that ensures that excessive temperature variations are not imposed on welded tube joints by sudden changes in the primary coolant flow path. Full constructional details are given. (U.K.)

  6. Characteristics of mineral nutrition of plants in the bio-technical life support system with human wastes included in mass exchange

    Science.gov (United States)

    Tikhomirova, Natalia; Ushakova, Sofya; Kalacheva, Galina; Tikhomirov, Alexander

    2016-09-01

    The study addresses the effectiveness of using ion exchange substrates (IES) to optimize mineral nutrition of plants grown in the nutrient solutions containing oxidized human wastes for application in bio-technical life support systems. The study shows that the addition of IES to the root-inhabited substrate is favorable for the growth of wheat vegetative organs but causes a decrease in the grain yield. By contrast, the addition of IES to the nutrient solution does not influence the growth of vegetative organs but favors normal development of wheat reproductive organs. Thus, to choose the proper method of adjusting the solution with IES, one should take into account specific parameters of plant growth and development and the possibility of multiple recycling of IES based on the liquid products of mineralization of human wastes.

  7. Conformational preludes to the latency transition in PAI-1 as determined by atomistic computer simulations and hydrogen/deuterium-exchange mass spectrometry

    DEFF Research Database (Denmark)

    Petersen, Michael; Madsen, Jeppe B; Jørgensen, Thomas J D

    2017-01-01

    activator inhibitor 1 (PAI-1). We report the first multi-microsecond atomistic molecular dynamics simulations of PAI-1 and compare the data with experimental hydrogen/deuterium-exchange data (HDXMS). The simulations reveal notable conformational flexibility of helices D, E and F and major fluctuations...... are observed in the W86-loop which occasionally leads to progressive detachment of β-strand 2 A from β-strand 3 A. An interesting correlation between Cα-RMSD values from simulations and experimental HDXMS data is observed. Helices D, E and F are known to be important for the overall stability of active PAI-1......Both function and dysfunction of serine protease inhibitors (serpins) involve massive conformational change in their tertiary structure but the dynamics facilitating these events remain poorly understood. We have studied the dynamic preludes to conformational change in the serpin plasminogen...

  8. Air mass origins and troposphere-to-stratosphere exchange associated with mid-latitude cyclogenesis and tropopause folding inferred from Be-7 measurements

    Science.gov (United States)

    Kritz, Mark A.; Rosner, Stefan W.; Danielsen, Edwin F.; Selkirk, Henry B.

    1991-01-01

    The 1984 extratropical mission of NASA's Stratosphere-Troposphere Exchange Project (STEP) studied cross-jet transport in regions of cyclogenesis and tropopause folding. Correlations of Be-7, ozone, water vapor, and potential vorticity measured on a NASA U-2 research aircraft flying in high shear regions above the jet core are indicative of mixing between the cyclonic and the anticyclonic sides of the jet and are consistent with the hypothesis that small-scale entrainments of upper tropospheric air into the lower stratosphere during cyclogenesis are important in maintaining the vertical gradients of Be-7, ozone, water vapor and other trace constituents in the lower few kilometers of the midlatitude stratosphere. Correlations between Be-7, and ozone suggest a lower tropical stratospheric origin for the ozone-poor lamina observed above the jet core.

  9. Structural investigation of liquid formic acid by neutron diffraction. II: Isotopic substitution for DCOO[H/D

    International Nuclear Information System (INIS)

    Bako, Imre; Schubert, Gabor; Megyes, Tuende; Palinkas, Gabor; Swan, Geoffrey I.; Dore, John; Bellisent-Funel, Marie-Claire

    2004-01-01

    New measurements of neutron diffraction data for four samples involving H/D isotopic substitution on the hydroxyl hydrogen of liquid formic acid at 20 deg C are reported. The results are combined with earlier measurements on [H/D]COOD to provide a full range of data. The determination of molecular conformation and bond-lengths has been made with a partial form-factor formalism and also using the 'Monte Carlo determination of g(r)' technique. The partial real-space correlation functions, RR, RH and HH are evaluated in each case and compared with existing computer simulations. The results confirm the strongly hydrogen-bonded nature of the liquid, but show that current molecular dynamics predictions based on transferable potentials do not give a very good representation of the structure. The observations provide a basis for a more detailed investigation and work is currently in progress. Ab initio quantum chemical calculations showed that the non-planar configuration suggested by Bertagnolli et al. [Ber. Bunsen. Phys. Chem. 88 (1984) 977; Ber. Bunsen. Phys. Chem. 89 (1985) 500], is very unlikely both for formic acid dimers and monomers

  10. Hydrogen/deuterium exchange of multiply-protonated cytochrome c ions

    International Nuclear Information System (INIS)

    Wood, T.D.; Guan, Ziqiang; O'Connor, P.B.

    1995-01-01

    Low resolution measurements show gaseous multiply-protonated cytochrome c ions undergo hydrogen/deuterium (H/D) exchange with pseudo first-order kinetics at three distinct exchange levels, suggesting the co-existence of gaseous protein conformations. Although exchange levels first increase with increasing charge values, they decrease at the highest charge values, consistent with solution-phase behavior of cytochrome c, where the native structure unfolds with decreasing pH until folding into a compact A-state at lowest pH. High resolution measurements indicate the presence of at least six H/D exchange levels. Infrared (IR) laser heating and fast collisions via quadrupolar excitation (QE) increase H/D exchange levels (unfolding) while charge-stripping ions to lower charge values can increase or decrease H/D exchange levels (unfolding or folding). Wolynes has suggested studying proteins in vacuo could play an important role in delineating the contributions various forces play in the protein folding process, provided appropriate comparisons can be made between gas-phase and solution-phase structures

  11. Production of H,D(2s, 2p) by electron impact (0 - 2000 eV) on simple hydrogen containing molecules, ch. 2, A2

    International Nuclear Information System (INIS)

    Moehlman, G.R.; Heer, F.J. de

    1977-01-01

    Absolute emission cross sections of Ly-α (H,D(2p → 1s)) radiation have been determined for 0 - 2000 eV electrons incident on H 2 , HD, HCl, H 2 O, NH 3 and CH 4 . By means of the application of electric quenching, the excitation cross sections of H,D(2s) could be obtained from the increase of the resulting Ly-α radiation for these molecules. Only in the case of electrons on H 2 , D 2 and HD was excitation of H,D(2s) found

  12. Exchange Network

    Science.gov (United States)

    The Environmental Information Exchange Network (EN) is an Internet-based system used by state, tribal and territorial partners to securely share environmental and health information with one another and EPA.

  13. Size dependent reactivity of metal nanoparticles and alloys supported on HOPG, probed by the H-D exchange and the NH3 decomposition reactions

    DEFF Research Database (Denmark)

    Fiordaliso, Elisabetta Maria

    this investigation have been summarized in a scientific article which has been submitted to the Journal of Physical Chemistry. The second reaction investigated in this thesis is the NH3 decomposition reaction, relevant for hydrogen storage and production in a COx free environment, which has been performed on Ru, Ir......, Rh and Pt thin films, on Ru nanoparticles and on Ir/Ru alloys. Preliminary results indicated that Ru is the most active among the selected metals, but no definitive conclusions can be drawn on the effect of the particle diameter on the decomposition rate. In the case of the Ru/Ir alloys, it is found...

  14. Effects of air exchange, temperature and slurry management on odorant emissions from pig production units and slurry tanks studied by proton-transfer-reaction mass spectrometry (PTR-MS)

    Energy Technology Data Exchange (ETDEWEB)

    Feilberg, A.; Adamsen, A.P.S.; Liu, D.; Hansen, M.J.; Bildsoe, P. [Aarhus Univ., Tjele (Denmark). Dept. of Biosystems Engineering

    2010-07-01

    The factors affecting the variability of odorant emissions from intensive pig production facilities were examined using proton-transfer-reaction mass spectrometry (PTR-MS) to monitor emissions of odorants. Quantitative and time-resolved results for protonated ions representing hydrogen sulphide (H{sub 2}S), volatile organic sulphur compounds, organic amines, volatile carboxylic acids, carbonyls, phenols and indoles can be obtained. This study presented the results from PTRMS measurements of odorant emissions from finisher pig houses and finisher manure storage tanks. The measurements were performed at an experimental full-scale pig section with mechanical ventilation and at an experimental manure storage facility with controlled air exchange. Field measurements were taken during variable air exchange rates and temperatures, during finisher growth, and during emptying of the slurry pit. The results revealed a pronounced diurnal variation in emissions of odorants from the pig section with peaks in daytime coinciding with the highest ventilation rates and highest room temperatures. The highest emission rates were observed for H{sub 2}S and carboxylic acids. Based on odour threshold values, methanethiol and 4-methylphenol were estimated to contribute considerably to the odour nuisance. Discharging of the slurry pit led to reduced H{sub 2}S emissions, but peaks of H{sub 2}S were observed during manure handling.

  15. Bare nucleus S(E) factor of the 2H(d,p)3H and 2H(d,n)3He reactions via the Trojan Horse Method

    International Nuclear Information System (INIS)

    Tumino, A; Spitaleri, C; Kiss, G G; Cognata, M La; Lamia, L; Pizzone, R G; Rapisarda, G G; Romano, S; Sergi, M L; Spartà, R; Mukhamedzhanov, A M; Typel, S; Aliotta, M; Burjan, V; Kroha, V; Hons, Z; Mrazek, J; Piskor, S; Santo, M Gimenez del

    2012-01-01

    The Trojan Horse Method was applied for the first time to the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by measuring the 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes in quasi free kinematics. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  16. Sm isotope composition and Sm/Eu ratio determination in an irradiated 153Eu sample by ion exchange chromatography-quadrupole inductively coupled plasma mass spectrometry combined with double spike isotope dilution technique

    International Nuclear Information System (INIS)

    Bourgeois, M.; Isnard, H.; Gourgiotis, A.; Stadelmann, G.; Gautier, C.; Mialle, S.; Nonell, A.; Chartier, F.

    2011-01-01

    Within the framework of the research undertaken by the French Atomic Energy Commission on transmutation of long-lived radionuclides, targets of highly enriched actinides and fission products were irradiated in the fast neutron reactor Phenix. Precise and accurate measurements of the isotopic and elemental composition of the enriched elements are therefore required. In order to obtain the uncertainties of several per mil and to reduce handling time and exposure to analyst on radioactive material, the on-line coupling of ion exchange chromatography with quadrupole inductively coupled plasma mass spectrometry has been associated with the technique of the double spike isotope dilution. We present in this paper the results obtained on an irradiated sample of Europium oxide powder (enriched at 99.13% in 153 Eu). After irradiation of around 5 mg of Eu 2 O 3 powder the theoretical calculations predict the formation of several micrograms of gadolinium and samarium isotopes. In relation to the very high activity of the sample after irradiation and the very low quantity of Sm formed, the on-line ion exchange chromatography separation of Gd, Sm and Eu before Sm isotope ratio measurements has been developed for the quantification of the 152 Sm/ 153 Eu ratio. These on-line measurements were associated with the double spike isotope dilution technique after calibration of a 147 Sm/ 151 Eu spike solution. The external reproducibility of Sm isotopic ratios was determined to be around 0.5% (2 σ) resulting in a final uncertainty on the 152 Sm/ 153 Eu ratio of around 1% (2 σ). These on-line measurements present therefore a robust and high-throughput alternative to the thermal-ionisation mass spectrometry technique used so far in combination with off-line chromatographic separation, particularly in nuclear applications where characterisation of high activity sample solutions is required. (authors)

  17. Comparative ecosystem-atmosphere exchange of energy and mass in a European Russian and a central Siberian bog II. Interseasonal and interannual variability of CO2 fluxes

    International Nuclear Information System (INIS)

    Arneth, A.; Kolle, O.; Lloyd, J.; Schulze, E.D.; Kurbatova, J.; Vygodskaya, N.N.

    2002-01-01

    Net ecosystem-atmosphere exchange of CO 2 (NEE) was measured in two boreal bogs during the snow-free periods of 1998, 1999 and 2000. The two sites were located in European Russia (Fyodorovskoye), and in central Siberia (Zotino). Climate at both sites was generally continental but with more extreme summer-winter gradients in temperature at the more eastern site Zotino. The snow-free period in Fyodorovskoye exceeded the snow-free period at Zotino by several weeks. Marked seasonal and interannual differences in NEE were observed at both locations, with contrasting rates and patterns. Amongst the most important contrasts were: (1) Ecosystem respiration at a reference soil temperature was higher at Fyodorovskoye than at Zotino. (2) The diurnal amplitude of summer NEE was larger at Fyodorovskoye than at Zotino. (3) There was a modest tendency for maximum 24 h NEE during average rainfall years to be more negative at Zotino (-0.17 versus -0.15 mol/m 2 /d), suggesting a higher productivity during the summer months. (4) Cumulative net uptake of CO 2 during the snow-free period was strongly related to climatic differences between years. In Zotino the interannual variability in climate, and also in the CO 2 balance during the snow-free period, was small. However, at Fyodorovskoye the bog was a significant carbon sink in one season and a substantial source for CO 2 -C in the next, which was below-average dry. Total snow-free uptake and annual estimates of net CO 2 -C uptake are discussed, including associated uncertainties

  18. Influence of H/D isotope substitution on physicochemical properties of aqueous solutions of urea and thiourea

    International Nuclear Information System (INIS)

    Jelinska-Kazimierczuk, M.; Szydlowski, J.

    2001-01-01

    The influence of the H/D isotope substitution on excess volumes, partial molar volumes, viscosity and ultrasound speed in aqueous solutions of urea and thiourea are studied at 20 o C. The excess volume of the solutions studied is relatively small - however, it is negative in urea and positive in thiourea solutions. On the other hand, the deuteration affects the excess volume in both solutions in the same way: deuterated systems show smaller deviation from additivity than regular ones. The speed of sound in the systems studied increases monotonously with concentration , but its isotope effect decreases as the concentration increases. The curves of viscosity are monotonous too, but isotope effect of kinematic viscosity is practically the same in the whole concentration range studied. The present results for urea and thiourea aqueous solutions are compared with those previously obtained for amide- water systems. (author)

  19. Mass-charge-heat coupled transfers in a single cell of a proton exchange membrane fuel cell; Transferts couples masse-charge-chaleur dans une cellule de pile a combustible a membrane polymere

    Energy Technology Data Exchange (ETDEWEB)

    Ramousse, J

    2005-11-15

    Understanding and modelling of coupled mass, charges and heat transfers phenomena are fundamental to analyze the electrical behaviour of the system. The aim of the present model is to describe electrical performances of a PEFMC according to the fluidic and thermal operating conditions. The water content of the membrane and the water distribution in the single cell are estimated according to the coupled simulations of mass transport in the thickness of the single cell and in the feeding channels of the bipolar plates. A microscopic model of a Gas Diffusion Electrode is built up to describe charges transfer phenomena occurring at the electrodes. Completed by a study of heat transfer in the Membrane Electrode Assembly, conditions and preferential sites of water vapor condensation can be highlighted. A set of measurements of the effective thermal conductivity of carbon felts used in fuel cells as porous backing layers have also been performed. Although the value of this parameter is essential for the study of heat transfer, it is still under investigation because of the strong thermal anisotropy of the medium. (author)

  20. Measurement of Membrane Characteristics Using the Phenomenological Equation and the Overall Mass Transport Equation in Ion-Exchange Membrane Electrodialysis of Saline Water

    Directory of Open Access Journals (Sweden)

    Yoshinobu Tanaka

    2012-01-01

    Full Text Available The overall membrane pair characteristics included in the overall mass transport equation are understandable using the phenomenological equations expressed in the irreversible thermodynamics. In this investigation, the overall membrane pair characteristics (overall transport number , overall solute permeability , overall electro-osmotic permeability and overall hydraulic permeability were measured by seawater electrodialysis changing current density, temperature and salt concentration, and it was found that occasionally takes minus value. For understanding the above phenomenon, new concept of the overall concentration reflection coefficient ∗ is introduced from the phenomenological equation. This is the aim of this investigation. ∗ is defined for describing the permselectivity between solutes and water molecules in the electrodialysis system just after an electric current interruption. ∗ is expressed by the function of and . ∗ is generally larger than 1 and is positive, but occasionally ∗ becomes less than 1 and becomes negative. Negative means that ions are transferred with water molecules (solvent from desalting cells toward concentrating cells just after an electric current interruption, indicating up-hill transport or coupled transport between water molecules and solutes.

  1. Heat exchanger

    Science.gov (United States)

    Wolowodiuk, Walter

    1976-01-06

    A heat exchanger of the straight tube type in which different rates of thermal expansion between the straight tubes and the supply pipes furnishing fluid to those tubes do not result in tube failures. The supply pipes each contain a section which is of helical configuration.

  2. Heat exchangers

    International Nuclear Information System (INIS)

    1975-01-01

    The tubes of a heat exchanger tube bank have a portion thereof formed in the shape of a helix, of effective radius equal to the tube radius and the space between two adjacent tubes, to tangentially contact the straight sections of the tubes immediately adjacent thereto and thereby provide support, maintain the spacing and account for differential thermal expansion thereof

  3. Exchange Options

    NARCIS (Netherlands)

    Jamshidian, F.

    2007-01-01

    The contract is described and market examples given. Essential theoretical developments are introduced and cited chronologically. The principles and techniques of hedging and unique pricing are illustrated for the two simplest nontrivial examples: the classical Black-Scholes/Merton/Margrabe exchange

  4. Exchange rates.

    Science.gov (United States)

    Mills, Bev

    2003-09-01

    IN MAY this year, I was lucky enough to go to Larissa in northern Greece as part of Hope Exchange 2003, an annual study tour organised by the European Union's hospital committee and administered by the Institute of Healthcare Management (IHM).

  5. Heat exchanger

    Science.gov (United States)

    Daman, Ernest L.; McCallister, Robert A.

    1979-01-01

    A heat exchanger is provided having first and second fluid chambers for passing primary and secondary fluids. The chambers are spaced apart and have heat pipes extending from inside one chamber to inside the other chamber. A third chamber is provided for passing a purge fluid, and the heat pipe portion between the first and second chambers lies within the third chamber.

  6. Heat exchanger

    International Nuclear Information System (INIS)

    Wolowodiuk, W.

    1976-01-01

    A heat exchanger of the straight tube type is described in which different rates of thermal expansion between the straight tubes and the supply pipes furnishing fluid to those tubes do not result in tube failures. The supply pipes each contain a section which is of helical configuration

  7. Inter-annual variability of air mass and acidified pollutants transboundary exchange in the north-eastern part of the EANET region

    Science.gov (United States)

    Gromov, Sergey A.; Trifonova-Yakovleva, Alisa; Gromov, Sergey S.

    2016-04-01

    Anthropogenic emissions, be it exhaust gases or aerosols, stem from multitude of sources and may survive long-range transport within the air masses they were emitted into. So they follow regional and global transport pathways varying under different climatological regimes. Transboundary transfer of pollutants occurs this way and has a significant impact on the ecological situation of the territories neighbouring those of emission sources, as found in a few earlier studies examining the environmental monitoring data [1]. In this study, we employ a relatively facile though robust technique for estimating the transboundary air and concomitant pollutant fluxes using actual or climatological meteorological and air pollution monitoring data. Practically, we assume pollutant transfer being proportional to the horizontal transport of air enclosed in the lower troposphere and to the concentration of the pollutant of interest. The horizontal transport, in turn, is estimated using the mean layer wind direction and strength, or their descriptive statistics at the individual transects of the boundary of interest. The domain of our interest is the segment of Russian continental border in East Asia spanning from 88° E (southern Middle Siberia) to 135° E (Far East at Pacific shore). The data on atmospheric pollutants concentration are available from the Russian monitoring sites of the region-wide Acid Deposition Monitoring Network in East Asia (EANET, http://www.eanet.asia/) Mondy (Baikal area) and Primorskaya (near Vladivostok). The data comprises multi-year continuous measurement of gas-phase and particulate species abundances in air with at least biweekly sampling rate starting from 2000. In the first phase of our study, we used climatological dataset on winds derived from the aerological soundings at Russian stations along the continental border for the 10-year period (1961-1970) by the Research Institute of Hydrometeorological Information - World Data Centre (RIHMI-WDC) [3

  8. The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience.

    Science.gov (United States)

    Griss, Johannes; Jones, Andrew R; Sachsenberg, Timo; Walzer, Mathias; Gatto, Laurent; Hartler, Jürgen; Thallinger, Gerhard G; Salek, Reza M; Steinbeck, Christoph; Neuhauser, Nadin; Cox, Jürgen; Neumann, Steffen; Fan, Jun; Reisinger, Florian; Xu, Qing-Wei; Del Toro, Noemi; Pérez-Riverol, Yasset; Ghali, Fawaz; Bandeira, Nuno; Xenarios, Ioannis; Kohlbacher, Oliver; Vizcaíno, Juan Antonio; Hermjakob, Henning

    2014-10-01

    The HUPO Proteomics Standards Initiative has developed several standardized data formats to facilitate data sharing in mass spectrometry (MS)-based proteomics. These allow researchers to report their complete results in a unified way. However, at present, there is no format to describe the final qualitative and quantitative results for proteomics and metabolomics experiments in a simple tabular format. Many downstream analysis use cases are only concerned with the final results of an experiment and require an easily accessible format, compatible with tools such as Microsoft Excel or R. We developed the mzTab file format for MS-based proteomics and metabolomics results to meet this need. mzTab is intended as a lightweight supplement to the existing standard XML-based file formats (mzML, mzIdentML, mzQuantML), providing a comprehensive summary, similar in concept to the supplemental material of a scientific publication. mzTab files can contain protein, peptide, and small molecule identifications together with experimental metadata and basic quantitative information. The format is not intended to store the complete experimental evidence but provides mechanisms to report results at different levels of detail. These range from a simple summary of the final results to a representation of the results including the experimental design. This format is ideally suited to make MS-based proteomics and metabolomics results available to a wider biological community outside the field of MS. Several software tools for proteomics and metabolomics have already adapted the format as an output format. The comprehensive mzTab specification document and extensive additional documentation can be found online. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  9. The mzTab Data Exchange Format: Communicating Mass-spectrometry-based Proteomics and Metabolomics Experimental Results to a Wider Audience*

    Science.gov (United States)

    Griss, Johannes; Jones, Andrew R.; Sachsenberg, Timo; Walzer, Mathias; Gatto, Laurent; Hartler, Jürgen; Thallinger, Gerhard G.; Salek, Reza M.; Steinbeck, Christoph; Neuhauser, Nadin; Cox, Jürgen; Neumann, Steffen; Fan, Jun; Reisinger, Florian; Xu, Qing-Wei; del Toro, Noemi; Pérez-Riverol, Yasset; Ghali, Fawaz; Bandeira, Nuno; Xenarios, Ioannis; Kohlbacher, Oliver; Vizcaíno, Juan Antonio; Hermjakob, Henning

    2014-01-01

    The HUPO Proteomics Standards Initiative has developed several standardized data formats to facilitate data sharing in mass spectrometry (MS)-based proteomics. These allow researchers to report their complete results in a unified way. However, at present, there is no format to describe the final qualitative and quantitative results for proteomics and metabolomics experiments in a simple tabular format. Many downstream analysis use cases are only concerned with the final results of an experiment and require an easily accessible format, compatible with tools such as Microsoft Excel or R. We developed the mzTab file format for MS-based proteomics and metabolomics results to meet this need. mzTab is intended as a lightweight supplement to the existing standard XML-based file formats (mzML, mzIdentML, mzQuantML), providing a comprehensive summary, similar in concept to the supplemental material of a scientific publication. mzTab files can contain protein, peptide, and small molecule identifications together with experimental metadata and basic quantitative information. The format is not intended to store the complete experimental evidence but provides mechanisms to report results at different levels of detail. These range from a simple summary of the final results to a representation of the results including the experimental design. This format is ideally suited to make MS-based proteomics and metabolomics results available to a wider biological community outside the field of MS. Several software tools for proteomics and metabolomics have already adapted the format as an output format. The comprehensive mzTab specification document and extensive additional documentation can be found online. PMID:24980485

  10. A testis-specific and testis developmentally regulated tumor protein D52 (TPD52)-like protein TPD52L3/hD55 interacts with TPD52 family proteins

    International Nuclear Information System (INIS)

    Cao Qinhong; Chen Jie; Zhu Li; Liu Yun; Zhou Zuomin; Sha Jiahao; Wang Shui; Li Jianmin

    2006-01-01

    Tumor protein D52-like proteins (TPD52) are small coiled-coil motif bearing proteins that were first identified in breast cancer. TPD52 and related proteins have been implicated in cell proliferation, apoptosis, and vesicle trafficking. To date, three human TPD52 members had been identified, named hD52 (TPD52), hD53 (TPD52L1), and hD54 (TPD52L2). The most important characteristic of the protein family is a highly conserved coiled-coil motif that is required for homo- and heteromeric interaction with other TPD52-like proteins. Herein, we identified a novel TPD52-like sequence (TPD52L3, or hD55) in human testis using cDNA microarray. Sequence analysis of the deduced protein suggests that hD55 contains a coiled-coil motif and is highly conserved compared with other TPD52-like sequences. Yeast two-hybrid and GST pull-down assays revealed that hD55 interacts with hD52, hD53, hD54, and itself. cDNA microarray detection found that hD55 was expressed at 5.6-fold higher levels in adult testis than in fetal testis. Additionally, the expression profile shows that hD55 is testis-specific, indicating a potential role for hD55 in testis development and spermatogenesis

  11. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.

    Science.gov (United States)

    Jambrina, P G; Aoiz, F J; Bulut, N; Smith, Sean C; Balint-Kurti, G G; Hankel, M

    2010-02-07

    A detailed study of the proton exchange reaction H(+) + D(2)(v = 0, j = 0) --> HD + D(+) on its ground 1(1)A' potential energy surface has been carried out using 'exact' close-coupled quantum mechanical wavepacket (WP-EQM), quasi-classical trajectory (QCT), and statistical quasi-classical trajectory (SQCT) calculations for a range of collision energies starting from the reaction threshold to 1.3 eV. The WP-EQM calculations include all total angular momenta up to J(max) = 50, and therefore the various dynamical observables are converged up to 0.6 eV. It has been found that it is necessary to include all Coriolis couplings to obtain reliable converged results. Reaction probabilities obtained using the different methods are thoroughly compared as a function of the total energy for a series of J values. Comparisons are also made of total reaction cross sections as function of the collision energy, and rate constants. In addition, opacity functions, integral cross sections (ICS) and differential cross sections (DCS) are presented at 102 meV, 201.3 meV and 524.6 meV collision energy. The agreement between the three sets of results is only qualitative. The QCT calculations fail to describe the overall reactivity and most of the dynamical observables correctly. At low collision energies, the QCT method is plagued by the lack of conservation of zero point energy, whilst at higher collision energies and/or total angular momenta, the appearance of an effective repulsive potential associated with the centrifugal motion "over" the well causes a substantial decrease of the reactivity. In turn, the statistical models overestimate the reactivity over the whole range of collision energies as compared with the WP-EQM method. Specifically, at sufficiently high collision energies the reaction cannot be deemed to be statistical and important dynamical effects seem to be present. In general the WP-EQM results lie in between those obtained using the QCT and SQCT methods. One of the main

  12. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  13. Heat exchanger

    International Nuclear Information System (INIS)

    Bennett, J.C.

    1975-01-01

    A heat exchanger such as forms, for example, part of a power steam boiler is made up of a number of tubes that may be arranged in many different ways, and it is necessary that the tubes be properly supported. The means by which the tubes are secured must be as simple as possible so as to facilitate construction and must be able to continue to function effectively under the varying operating conditions to which the heat exchanger is subject. The arrangement described is designed to meet these requirements, in an improved way. The tubes are secured to a member extending past several tubes and abutment means are provided. At least some of the abutment means comprise two abutment pieces and a wedge secured to the supporting member, that acts on these pieces to maintain the engagement. (U.K.)

  14. Heat exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, E L; Eisenmann, G; Hahne, E [Stuttgart Univ. (TH) (F.R. Germany). Inst. fuer Thermodynamik und Waermetechnik

    1976-04-01

    A survey is presented on publications on design, heat transfer, form factors, free convection, evaporation processes, cooling towers, condensation, annular gap, cross-flowed cylinders, axial flow through a bundle of tubes, roughnesses, convective heat transfer, loss of pressure, radiative heat transfer, finned surfaces, spiral heat exchangers, curved pipes, regeneraters, heat pipes, heat carriers, scaling, heat recovery systems, materials selection, strength calculation, control, instabilities, automation of circuits, operational problems and optimization.

  15. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  16. Trajectory Calculations for Bergman Cyclization Predict H/D Kinetic Isotope Effects Due to Nonstatistical Dynamics in the Product.

    Science.gov (United States)

    Doubleday, Charles; Boguslav, Mayla; Howell, Caronae; Korotkin, Scott D; Shaked, David

    2016-06-22

    An unusual H/D kinetic isotope effect (KIE) is described, in which isotopic selectivity arises primarily from nonstatistical dynamics in the product. In DFT-based quasiclassical trajectories of Bergman cyclization of (Z)-3-hexen-1,5-diyne (1) at 470 K, the new CC bond retains its energy, and 28% of nascent p-benzyne recrosses back to the enediyne on a vibrational time scale. The competing process of intramolecular vibrational redistribution (IVR) in p-benzyne is too slow to prevent this. Deuteration increases the rate of IVR, which decreases the fraction of recrossing and increases the yield of statistical (trapable) p-benzyne, 2. Trapable yields for three isotopomers of 2 range from 72% to 86%. The resulting KIEs for Bergman cyclization differ substantially from KIEs predicted by transition state theory, which suggests that IVR in this reaction can be studied by conventional KIEs. Leakage of vibrational zero point energy (ZPE) into the reaction coordinate was probed by trajectories in which initial ZPE in the CH/CD stretching modes was reduced by 25%. This did not change the predicted KIEs.

  17. Quantum approaches for the insertion dynamics of the H++D2 and D++H2 reactive collisions

    International Nuclear Information System (INIS)

    Gonzalez-Lezana, Tomas; Aguado, Alfredo; Paniagua, Miguel; Roncero, O.

    2005-01-01

    The H + +D 2 and D + +H 2 reactive collisions are studied using a recently proposed adiabatic potential energy surface of spectroscopic accuracy. The dynamics is studied using an exact wave packet method on the adiabatic surface at energies below the curve crossing occurring at ≅1.5 eV above the threshold. It is found that the reaction is very well described by a statistical quantum method for a zero total angular momentum (J) as compared with the exact ones, while for higher J some discrepancies are found. For J>0 different centrifugal sudden approximations are proposed and compared with the exact and statistical quantum treatments. The usual centrifugal sudden approach fails by considering too high reaction barriers and too low reaction probabilities. A new statistically modified centrifugal sudden approach is considered which corrects these two failures to a rather good extent. It is also found that an adiabatic approximation for the helicities provides results in very good agreement with the statistical method, placing the reaction barrier properly. However, both statistical and adiabatic centrifugal treatments overestimate the reaction probabilities. The reaction cross sections thus obtained with the new approaches are in rather good agreement with the exact results. In spite of these deficiencies, the quantum statistical method is well adapted for describing the insertion dynamics, and it is then used to evaluate the differential cross sections

  18. Endothelin-1 stimulates the release of preloaded [3H]D-aspartate from cultured cerebellar granule cells

    International Nuclear Information System (INIS)

    Lin, W.W.; Lee, C.Y.; Chuang, D.M.

    1990-01-01

    We have recently reported that endothelin-1 (ET) induces phosphoinositide hydrolysis in primary cultures of rat cerebellar granule cells. Here we found that ET in a dose-dependent manner (1-30 nM) stimulated the release of preloaded [ 3 H]D-aspartate from granule cells. The ET-induced aspartate release was completely blocked in the absence of extracellular Ca 2+ , but was unaffected by 1 mM Co 2+ or 1 microM dihydropyridine derivatives (nisoldipine and nimodipine). At higher concentration (10 microM) of nisoldipine and nimodipine, the release was partially inhibited. Short-term pretreatment of cells with phorbol 12,13-dibutyrate (PDBu) potentiated the ET-induced aspartate release, while long-term pretreatment with PDBu attenuated the release. Long-term exposure of cells to pertussis toxin (PTX), on the other hand, potentiated the ET-induced effects. Our results suggest that ET has a neuromodulatory function in the central nervous system

  19. Endothelin-1 stimulates the release of preloaded ( sup 3 H)D-aspartate from cultured cerebellar granule cells

    Energy Technology Data Exchange (ETDEWEB)

    Lin, W.W.; Lee, C.Y.; Chuang, D.M. (NIMH Neuroscience Center, Washington, DC (USA))

    1990-03-16

    We have recently reported that endothelin-1 (ET) induces phosphoinositide hydrolysis in primary cultures of rat cerebellar granule cells. Here we found that ET in a dose-dependent manner (1-30 nM) stimulated the release of preloaded ({sup 3}H)D-aspartate from granule cells. The ET-induced aspartate release was completely blocked in the absence of extracellular Ca{sup 2+}, but was unaffected by 1 mM Co{sup 2+} or 1 microM dihydropyridine derivatives (nisoldipine and nimodipine). At higher concentration (10 microM) of nisoldipine and nimodipine, the release was partially inhibited. Short-term pretreatment of cells with phorbol 12,13-dibutyrate (PDBu) potentiated the ET-induced aspartate release, while long-term pretreatment with PDBu attenuated the release. Long-term exposure of cells to pertussis toxin (PTX), on the other hand, potentiated the ET-induced effects. Our results suggest that ET has a neuromodulatory function in the central nervous system.

  20. Anomalous H/D isotope effect in hydrogen bonded systems: H-bonded cyclic structures and transfers of protons

    International Nuclear Information System (INIS)

    Marechal, Y.

    1993-01-01

    The systematic H/D substitution is a precious tool to obtain information on the dynamics of H-bonds. It is particularly useful in IR spectroscopy where H-bonds are at the origin of particularly intense and specific bands and where the particularly great value for the m D /m H ratio ensures strongly marked effects. In most H-bonded systems the effects of these substitutions are normal, in the sense that they are at the origin of bands having intensities, centers (of intensity) and widths smaller in D-bonds by a factor close to √2 as compared to H-bonds. In some systems as carboxylic acid dimers, however, anomalous ratios of intensities are found upon such a substitution. Their origin is still obscure. Experimental results suggest that such anomalous ratios have much to do with the cyclic structure of these systems. It leads to stressing an important property of H-bonded cyclic structures which is that they seem necessary for having transfers of protons between molecules through H-bonds in a neutral aqueous medium (p H =7) at room temperature. The mechanism of such transfers of protons is still poorly known, but these transfers are now suspected to play a fundamental role in such widespread reactions as hydrolysis, peptide synthesis, etc... which may make them soon appear as being a crucial basic mechanism for reactivity of aqueous systems, particularly biological systems

  1. Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, κ-H3(Cat EDT-ST)2

    Science.gov (United States)

    Yamamoto, Kaichi; Kanematsu, Yusuke; Nagashima, Umpei; Ueda, Akira; Mori, Hatsumi; Tachikawa, Masanori

    2017-04-01

    We theoretically investigated a significant contraction of the hydrogen-bonding O⋯O distance upon H/D substitution in our recently developed purely organic crystals, κ-H3(Cat-EDT-ST)2 (H-ST) and its isotopologue κ-D3(Cat-EDT-ST)2 (D-ST), having π-electron systems coupled with hydrogen-bonding fluctuation. The origin of this geometrical H/D isotope effect was elucidated by using the multicomponent DFT method, which takes the H/D nuclear quantum effect into account. The optimized O⋯O distance in H-ST was found to be longer than that in D-ST due to the anharmonicity of the potential energy curve along the Osbnd H bond direction, which was in reasonable agreement with the experimental trend.

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

    Science.gov (United States)

    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/Denterium exchange during n.butane conversion on H-ZSM-5

    NARCIS (Netherlands)

    Narbeshuber, T.; Narbeshuber, Thomas F.; Stockenhuber, Michael; Brait, Axel; Brait, A.; Seshan, Kulathuiyer; Lercher, J.A.

    1996-01-01

    Steady-state isotope tracer studies and isotope transient response experiments ofn-butane conversion on H-ZSM-5 (Si/Al = 35) were carried out between 673 and 823 K. Among the three main reactions, the rate of H/D-exchange is at least one order of magnitude higher compared to the rates of cracking or

  4. Échangeur de chaleur et de matière à paroi poreuse. Application en récupération sur fumées Porous Heat and Mass Exchanger for Recovery from Flue Gases

    Directory of Open Access Journals (Sweden)

    Brunel G.

    2006-11-01

    Full Text Available L'optimisation technico-économique des procédés industriels requiert de nouvelles techniques assurant un meilleur rendement énergétique et une protection accrue de l'environnement. Parmi celles-ci, l'échangeur de chaleur et de matière à parois poreuses proposé par l'Institut Français du Pétrole (IFP est destiné aux opérations de séparation de mélanges gazeux contenant au moins un produit condensable. La première application assurée par Chaudières Seccacier SA concerne le chauffage au gaz industriel ou collectif. Le procédé consiste à effectuer le transfert de chaleur et d'eau entre fumées et air de combustion à travers une paroi poreuse qui assure la séparation des deux fluides par le film d'eau retenu par capillarité dans ses pores. Après la phase probatoire qui a concerné une chaudière de 200 kW, le développement en cours, avant la diffusion commerciale, s'effectue sur des chaudières de 500 kW. Le rendement énergétique est accru de 5 à 10 % si l'on se réfère aux chaudières à condensation, ce qui induit une réduction des émissions de CO2 de 20 à 50 % selon les installations et l'énergie déplacée. La réduction des émissions de NOx imputable à l'utilisation d'un air comburant saturé d'eau est de 65 % environ. The increase in the energy efficiency of processes is now a constant preoccupation that is included in all procedures aiming for the technico-economic optimization of industrial production. This trend is leading to the designing of systems integrating several simultaneous functions : chemical reaction, separation and heat transfer. In addition to the energy increase there is often a reduction in the bulk of installations, an improvement in reliability and better control of how the process operates. The porous-wall heat and mass exchanger (ECMP proposed by Institut Français du Pétrole (IFP for this purpose, which is covered by a basic patent, aims to separate gaseous mixtures containing at

  5. Fourier Transfrom Ion Cyclotron Resonance Mass Spectrometry at High Magnetic Field

    Science.gov (United States)

    Marshall, Alan G.

    1998-03-01

    At high magnetic field (9.4 tesla at NHMFL), Fourier transform ion cyclotron resonance mass spectrometry performance improves dramatically: mass resolving power, axialization efficiency, and scan speed (each proportional to B), maximum ion mass, dynamic range, ion trapping period, kinetic energy, and electron self-cooling rate for sympathetic cooling (each proportional to B^2), and ion coalescence tendency (proportional 1/B^2). These advantages may apply singly (e.g., unit mass resolution for proteins of >100,000 Da), or compound (e.g., 10-fold improvement in S/N ratio for 9.4 T vs. 6 T at the same resolving power). Examples range from direct determination of molecular formulas of diesel fuel components by accurate mass measurement (=B10.1 ppm) to protein structure and dynamics probed by H/D exchange. This work was supported by N.S.F. (CHE-93-22824; CHE-94-13008), N.I.H. (GM-31683), Florida State University, and the National High Magnetic Field Laboratory in Tallahassee, FL.

  6. Determination of glufosinate ammonium and its metabolite (AE F064619 and AE F061517) residues in water by gas chromatography with tandem mass spectrometry after ion exchange cleanup and derivatization.

    Science.gov (United States)

    Royer, A; Beguin, S; Sochor, H; Communal, P Y

    2000-11-01

    An analytical method for the determination of glufosinate ammonium and its principal metabolites, AE F064619 and AE F061517, in water of two different hardnesses (5 and 30 DH, French hardness) has been developed and validated. Samples were spiked at different levels (0. 05 and 0.5 microgram/L) and were purified by column chromatography on ion-exchange resins. After derivatization with glacial acetic acid and trimethylarthoacetate mixture, the derivatives were quantified by using capillary gas chromatography with an ion-trap tandem mass spectrometric detector. Analytical conditions for MS/MS detection were optimized, and the quantification was carried out on the areas of the most representative ions. The limit of quantification was validated at 0.05 microgram/L for each compound. The mean recovery value and the relative standard deviation (n = 20) were 92.0% and 17. 8% for glufosinate ammonium, 90.2% and 15.8% for AE F064619, and 89. 7% and 12.7% for AE F061517.

  7. A simple method using on-line continuous leaching and ion exchange chromatography coupled to inductively coupled plasma mass spectrometry for the speciation analysis of bio-accessible arsenic in rice.

    Science.gov (United States)

    Horner, Nolan S; Beauchemin, Diane

    2012-03-02

    A simple method for the speciation analysis of bio-accessible arsenic (As) in rice was developed using a continuous on-line leaching method to release the bio-accessible fraction. The continuous on-line leaching method has several advantages over commonly used batch methods including quicker and easier sample preparation, reduced risk of contamination and access to real time leaching data. The bio-accessibility of As in the samples was monitored using inductively coupled plasma mass spectrometry (ICP-MS). Results from a certified reference material as well as cooked and uncooked white rice showed that the majority of As was leached by saliva. Results obtained using the continuous on-line leaching method were comparable to those obtained using a batch method. Speciation analysis of the saliva leachate was performed using ion exchange chromatography coupled to ICP-MS. The four most toxic forms of As (As(III), monomethylarsonic acid (MMA), dimethylarsinic acid (DMA) and As(V)) were clearly separated within 5 min in a single chromatographic run. Over 92% of bio-accessible As in the certified reference material and uncooked white rice sample was in the form of DMA and As(V), whereas it was present as DMA and As(III) in the cooked white rice. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Probing the Conformation of an IgG1 Monoclonal Antibody in Lyophilized Solids Using Solid-State Hydrogen-Deuterium Exchange with Mass Spectrometric Analysis (ssHDX-MS).

    Science.gov (United States)

    Moussa, Ehab M; Singh, Satish K; Kimmel, Michael; Nema, Sandeep; Topp, Elizabeth M

    2018-02-05

    Therapeutic proteins are often formulated as lyophilized products to improve their stability and prolong shelf life. The stability of proteins in the solid-state has been correlated with preservation of native higher order structure and/or molecular mobility in the solid matrix, with varying success. In the studies reported here, we used solid-state hydrogen-deuterium exchange with mass spectrometric analysis (ssHDX-MS) to study the conformation of an IgG1 monoclonal antibody (mAb) in lyophilized solids and related the extent of ssHDX to aggregation during storage in the solid phase. The results demonstrate that the extent of ssHDX correlated better with aggregation rate during storage than did solid-state Fourier-transform infrared (ssFTIR) spectroscopic measurements. Interestingly, adding histidine to sucrose at different formulation pH conditions decreased aggregation of the mAb, an effect that did not correlate with structural or conformational changes as measured by ssFTIR or ssHDX-MS. Moreover, peptide-level ssHDX-MS analysis in four selected formulations demonstrated global changes across the structure of the mAb when lyophilized with sucrose, trehalose, or mannitol, whereas site-specific changes were observed when lyophilized with histidine as the sole excipient.

  9. Theoretical Study of H/D Isotope Effects on Nuclear Magnetic Shieldings Using an ab initio Multi-Component Molecular Orbital Method

    Directory of Open Access Journals (Sweden)

    Masanori Tachikawa

    2013-05-01

    Full Text Available We have theoretically analyzed the nuclear quantum effect on the nuclear magnetic shieldings for the intramolecular hydrogen-bonded systems of σ-hydroxy acyl aromatic species using the gauge-including atomic orbital technique combined with our multi-component density functional theory. The effect of H/D quantum nature for geometry and nuclear magnetic shielding changes are analyzed. Our study clearly demonstrated that the geometrical changes of hydrogen-bonds induced by H/D isotope effect (called geometrical isotope effect: GIE is the dominant factor of deuterium isotope effect on 13C chemical shift.

  10. Production of H, D (2s, 2p) by electron impact (0-2000 eV) on simple hydrogen containing molecules

    International Nuclear Information System (INIS)

    Moehlmann, G.R.; Shima, K.H.; Heer, F.J. de

    1978-01-01

    Absolute emission cross sections of Ly-α (H, D (2p → 1s)) radiation have been determined for 0-2000 eV electrons incident on H 2 , HD, D 2 , HCl, H 2 O, NH 3 and CH 4 . By means of the application of electric quenching the excitation cross sections of H, D (2s) could be obtained from the increase of the resulting Ly-α radiation for these molecules. It was found that only for H 2 , HD and D 2 fragments in the H (2s) state are formed. (Auth.)

  11. Exchanging information

    International Nuclear Information System (INIS)

    1971-01-01

    The Agency has a statutory mandate to foster 'the exchange of scientific and technical information on the peaceful uses of atomic energy'. The prime responsibility for this work within the Agency lies with the Division of Scientific and Technical Information, a part of the Department of Technical Operations. The Division accomplishes its task by holding conferences and symposia (Scientific Conferences Section), through the Agency Library, by publishing scientific journals, and through the International Nuclear Information System (INIS). The Computer Section of the Division, which offers services to the Agency as a whole, provides resources for the automation of data storage and retrieval. (author)

  12. Mass spectrometers in medicine

    International Nuclear Information System (INIS)

    Bushman, J.A.

    1975-01-01

    This paper describes how the mass spectrometer enables true lung function, namely the exchange of gases between the environment and the organism, to be measured. This has greatly improved the understanding of respiratory disease and the latest generation of respiratory mass spectrometers will do much to increase the application of the technique. (author)

  13. Matchmaker Exchange.

    Science.gov (United States)

    Sobreira, Nara L M; Arachchi, Harindra; Buske, Orion J; Chong, Jessica X; Hutton, Ben; Foreman, Julia; Schiettecatte, François; Groza, Tudor; Jacobsen, Julius O B; Haendel, Melissa A; Boycott, Kym M; Hamosh, Ada; Rehm, Heidi L

    2017-10-18

    In well over half of the individuals with rare disease who undergo clinical or research next-generation sequencing, the responsible gene cannot be determined. Some reasons for this relatively low yield include unappreciated phenotypic heterogeneity; locus heterogeneity; somatic and germline mosaicism; variants of uncertain functional significance; technically inaccessible areas of the genome; incorrect mode of inheritance investigated; and inadequate communication between clinicians and basic scientists with knowledge of particular genes, proteins, or biological systems. To facilitate such communication and improve the search for patients or model organisms with similar phenotypes and variants in specific candidate genes, we have developed the Matchmaker Exchange (MME). MME was created to establish a federated network connecting databases of genomic and phenotypic data using a common application programming interface (API). To date, seven databases can exchange data using the API (GeneMatcher, PhenomeCentral, DECIPHER, MyGene2, matchbox, Australian Genomics Health Alliance Patient Archive, and Monarch Initiative; the latter included for model organism matching). This article guides usage of the MME for rare disease gene discovery. © 2017 by John Wiley & Sons, Inc. Copyright © 2017 John Wiley and Sons, Inc.

  14. Heat exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Harada, F; Yanagida, T; Fujie, K; Futawatari, H

    1975-04-30

    The purpose of this construction is the improvement of heat transfer in finned tube heat exchangers, and therefore the improvement of its efficiency or its output per unit volume. This is achieved by preventing the formation of flow boundary layers in gaseous fluid. This effect always occurs on flow of smooth adjacent laminae, and especially if these have pipes carrying liquid passing through them; it worsens the heat transfer of such a boundary layer considerably compared to that in the turbulent range. The fins, which have several rows of heat exchange tubes passing through them, are fixed at a small spacing on theses tubes. The fins have slots cut in them by pressing or punching, where the pressed-out material remains as a web, which runs parallel to the level of the fin and at a small distance from it. These webs and slots are arranged radially around every tube hole, e.g. 6 in number. For a suitable small tube spacing, two adjacent tubes opposite each other have one common slot. Many variants of such slot arrangements are illustrated.

  15. Terminology for mass transport and exchange

    DEFF Research Database (Denmark)

    Bassingthwaighte, J B; Chinard, F P; Crone, C

    1986-01-01

    Virtually all fields of physiological research now encompass various aspects of solute transport by convection, diffusion, and permeation across membranes. Accordingly, this set of terms, symbols, definitions, and units is proposed as a means of clear communication among workers in the physiologi......Virtually all fields of physiological research now encompass various aspects of solute transport by convection, diffusion, and permeation across membranes. Accordingly, this set of terms, symbols, definitions, and units is proposed as a means of clear communication among workers...... in the physiological, engineering, and physical sciences. The goal is to provide a setting for quantitative descriptions of physiological transport phenomena....

  16. Theory of oxygen isotope exchange

    NARCIS (Netherlands)

    den Otter, M.W.; Boukamp, Bernard A.; Bouwmeester, Henricus J.M.

    2001-01-01

    Transients for oxygen molecular mass numbers 32, 34 and 36 are derived which can be used for the interpretation of oxygen isotope exchange data based on measurement of concentrations of 16O2, 16O18O and 18O2 in the gas phase. Key parameters in the theory are the rate at which oxygen molecules are

  17. μ CF Study of D/T and H/D/T Mixtures in Homogeneous and Inhomogeneous Medium, and Comparison of Their Fusion Yields

    Science.gov (United States)

    Eskandari, M. R.; Faghihi, F.; Gheisari, R.

    Muon reactivation coefficient are determined for muonic He (He = 42He = α , He = 23 He = h) for up to six (n = 1, 2, 3, ..., 6) states of formation and at temperature Tp = 100 eV and for various relative ion densities. In the next decade it may be possible to explore new conditions for further energy gain in muon catalyzed fusion system, μ CF, using nonuniform (temperature and density) plasma states. Here, we have considered a model for inhomogeneous μ CF for mixtures of D/T and H/D/T. Using coupled dynamical equations it is shown that the neutrons yield per muon injection, Yn (neutrons/muon), in the dt branch of an inhomogeneous H/D/T mixture is at least 2.24 times higher than similar homogeneous systems and this rate for a D/T mixture is 1.92. Also, we have compared the neutron yield in the dt branch of homogeneous D/T and H/D/T mixtures (temperature range T = 300-800 K, and density φ = 1 LHD). It is shown that Yn(D/T)/Yn(H/D/T) = 1.32, which is in good agreement with recently measured experimental values. In other words our calculations show that the addition of protonium to a D/T mixture leads to a significant decrease in the cycling rate for the physical conditions described herein.

  18. Hydrogenation/Deoxygenation (H/D Reaction of Furfural-Acetone Condensation Product using Ni/Al2O3-ZrO2 Catalyst

    Directory of Open Access Journals (Sweden)

    Adam Mahfud

    2016-08-01

    Full Text Available The catalytic hydrogenation/deoxygenation (H/D reaction was carried out using Ni/Al2O3-ZrO2 catalyst. The 10% (wt/wt of Ni were impregnated on Al2O3-ZrO2 (10NiAZ by wet impregnation method followed by calcination and reduction. X-Ray diffraction analysis showed that Nideposited on the surface, with specific surface areas (SBET was 48.616 m2/g. Catalyst performance were evaluated for H/D reaction over furfural-acetone condensation products, mixture of 2-(4-furyl-3-buten-2-on and 1,5-bis-(furan-2-yl-pentan-3-one. The reaction was carried out in a batch, performed at 150°C for 8 hours. The H/D reaction gave alkane derivatives C8 and C10 by hydrogenation process followed by ring opening of furan in 15.2% yield. While, oxygenated product C10-C13 were also detected in 17.2% yield. The increasing of pore volume of 10NiAZ might enhance catalyst activity over H/D reaction. The alkene C=C bond was easy to hydrogenated under this condition by the lower bond energy gap.

  19. Forward absolute cross-section of the reaction 2H(d,n)3He for Esub(d) = (3/6)MeV

    International Nuclear Information System (INIS)

    Pavan, P.; Toniolo, D.; Zago, G.; Zannoni, R.; Galeazzi, G.

    1981-01-01

    The zero-degree differential cross-section of the reaction 2 H(d,n) 3 He was measured, by means of a recoil-proton neutron counter telescope, with an accuracy of 2%, in the incident-deuteron energy interval from 3 to 6 MeV. (author)

  20. Forward absolute cross-section of the reaction /sup 2/H(d,n)/sup 3/He for Esub(d) = (3/6)MeV

    Energy Technology Data Exchange (ETDEWEB)

    Pavan, P.; Toniolo, D.; Zago, G.; Zannoni, R. (Padua Univ. (Italy). Ist. di Fisica); Galeazzi, G.

    1981-12-01

    The zero-degree differential cross-section of the reaction /sup 2/H(d,n)/sup 3/He was measured, by means of a recoil-proton neutron counter telescope, with an accuracy of 2%, in the incident-deuteron energy interval from 3 to 6 MeV.

  1. Forward absolute cross section of the reaction /sup 2/H(d,n)/sup 3/He from E/sub d/ = 3 to 6 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Galeazzi, G.; Pavan, P.; Toniolo, D.; Zago, G.; Zannoni, R.

    1981-01-15

    The zero degree differential cross section of the reaction /sup 2/H(d,n)/sup 3/He was measured, by means of a proton recoil neutron counter telescope, with an accuracy of 2%, in the incident deuteron energy interval from 3 to 6 MeV. Results are presented.

  2. Forward absolute cross-section of the reaction /sup 2/H(d,n)/sup 3/He for Esub(d)=(3/6)MeV

    Energy Technology Data Exchange (ETDEWEB)

    Pavan, P.; Toniolo, D.; Zago, G.; Zannoni, R. (Padua Univ. (Italy). Ist. di Fisica; Istituto Nazionale di Fisica Nucleare, Padua (Italy)); Galeazzi, G. (Istituto Nazionale di Fisica Nucleare, Padua (Italy). Lab. di Legnaro)

    1981-12-01

    The zero-degree differential cross-section of the reaction /sup 2/H(d,n)/sup 3/He was measured, by means of a recoil-proton neutron counter telescope, with an accuracy of 2%, in the incident deuteron energy interval form 3 to 6 MeV.

  3. Mechanics and composition of middle cerebral arteries from simulated microgravity rats with and without 1-h/d -Gx gravitation.

    Directory of Open Access Journals (Sweden)

    Jiu-Hua Cheng

    Full Text Available BACKGROUND: To elucidate further from the biomechanical aspect whether microgravity-induced cerebral vascular mal-adaptation might be a contributing factor to postflight orthostatic intolerance and the underlying mechanism accounting for the potential effectiveness of intermittent artificial gravity (IAG in preventing this adverse effect. METHODOLOGY/PRINCIPAL FINDINGS: Middle cerebral arteries (MCAs were isolated from 28-day SUS (tail-suspended, head-down tilt rats to simulate microgravity effect, S+D (SUS plus 1-h/d -Gx gravitation by normal standing to simulate IAG, and CON (control rats. Vascular myogenic reactivity and circumferential stress-strain and axial force-pressure relationships and overall stiffness were examined using pressure arteriography and calculated. Acellular matrix components were quantified by electron microscopy. The results demonstrate that myogenic reactivity is susceptible to previous pressure-induced, serial constrictions. During the first-run of pressure increments, active MCAs from SUS rats can strongly stiffen their wall and maintain the vessels at very low strains, which can be prevented by the simulated IAG countermeasure. The strains are 0.03 and 0.14 respectively for SUS and S+D, while circumferential stress being kept at 0.5 (106 dyn/cm2. During the second-run pressure steps, both the myogenic reactivity and active stiffness of the three groups declined. The distensibility of passive MCAs from S+D is significantly higher than CON and SUS, which may help to attenuate the vasodilatation impairment at low levels of pressure. Collagen and elastin percentages were increased and decreased, respectively, in MCAs from SUS and S+D as compared with CON; however, elastin was higher in S+D than SUS rats. CONCLUSIONS: Susceptibility to previous myogenic constrictions seems to be a self-limiting protective mechanism in cerebral small resistance arteries to prevent undue cerebral vasoconstriction during orthostasis at 1-G

  4. Segmented heat exchanger

    Science.gov (United States)

    Baldwin, Darryl Dean; Willi, Martin Leo; Fiveland, Scott Byron; Timmons, Kristine Ann

    2010-12-14

    A segmented heat exchanger system for transferring heat energy from an exhaust fluid to a working fluid. The heat exchanger system may include a first heat exchanger for receiving incoming working fluid and the exhaust fluid. The working fluid and exhaust fluid may travel through at least a portion of the first heat exchanger in a parallel flow configuration. In addition, the heat exchanger system may include a second heat exchanger for receiving working fluid from the first heat exchanger and exhaust fluid from a third heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the second heat exchanger in a counter flow configuration. Furthermore, the heat exchanger system may include a third heat exchanger for receiving working fluid from the second heat exchanger and exhaust fluid from the first heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the third heat exchanger in a parallel flow configuration.

  5. Optimization of collision/reaction gases for determination of 90Sr in atmospheric particulate matter by inductively coupled plasma tandem mass spectrometry after direct introduction of air via a gas-exchange device

    Science.gov (United States)

    Suzuki, Yoshinari; Ohara, Ryota; Matsunaga, Kirara

    2017-09-01

    Nuclear power plant accidents release radioactive strontium 90 (90Sr) into the environment. Monitoring of 90Sr, although important, is difficult and time consuming because it emits only beta radiation. We have developed a new analytical system that enables real-time analysis of 90Sr in atmospheric particulate matter with an analytical run time of only 10 min. Briefly, after passage of an air sample through an impactor, a small fraction of the sample is introduced into a gas-exchange device, where the air is replaced by Ar. Then the sample is directly introduced into an inductively coupled plasma tandem mass spectrometry (ICP-MS/MS) system equipped with a collision/reaction cell to eliminate isobaric interferences on 90Sr from 90Zr+, 89Y1H+, and 90Y+. Experiments with various reaction gas conditions revealed that these interferences could be minimized under the following optimized conditions: 1.0 mL min- 1 O2, 10.0 mL min- 1 H2, and 1.0 mL min- 1 NH3. The estimated background equivalent concentration and estimated detection limit of the system were 9.7 × 10- 4 and 3.6 × 10- 4 ng m- 3, respectively, which are equivalent to 4.9 × 10- 6 and 1.8 × 10- 6 Bq cm- 3. Recoveries of Sr in PM2.5 measured by real-time analysis compared to those obtained by simultaneously collection on filter was 53 ± 23%, and using this recovery, the detection limit as PM2.5 was estimated to be 3.4 ± 1.5 × 10- 6 Bq cm- 3. That is, this system enabled detection of 90Sr at concentrations < 5 × 10- 6 Bq cm- 3 even considering the insufficient fusion/vaporization/ionization efficiency of Sr in PM2.5.

  6. Density functional theory calculations of H/D isotope effects on polymer electrolyte membrane fuel cell operations

    Energy Technology Data Exchange (ETDEWEB)

    Yanase, Satoshi; Oi, Takao [Sophia Univ., Tokyo (Japan). Faculty of Science and Technology

    2015-10-01

    To elucidate hydrogen isotope effects observed between fuel and exhaust hydrogen gases during polymer electrolyte membrane fuel cell operations, H-to-D reduced partition function ratios (RPFRs) for the hydrogen species in the Pt catalyst phase of the anode and the electrolyte membrane phase of the fuel cell were evaluated by density functional theory calculations on model species of the two phases. The evaluation yielded 3.2365 as the value of the equilibrium constant of the hydrogen isotope exchange reaction between the two phases at 39 C, which was close to the experimentally estimated value of 3.46-3.99 at the same temperature. It was indicated that H{sup +} ions on the Pt catalyst surface of the anode and H species in the electrolyte membrane phase were isotopically in equilibrium with one another during fuel cell operations.

  7. Mass-Spectrometric Investigations of Isotopic Exchange Reactions of Gaseous Hydrocarbon Ions; Recherches, par Spectrometrie de Masse, sur les Echanges Isotopiques des Ions d'Hydrocarbures Gazeux; Mass-spektrometricheskie issledovaniya reaktsij izotopnogo obmena ionov gazoobraznogo uglevodoroda; Estudio del Intercambio Isotopico de Iones Hidrocarburo Gaseosos por Espectrometria de Masas

    Energy Technology Data Exchange (ETDEWEB)

    Wexler, S. [Argonne National Laboratory, Argonne, IL (United States)

    1965-10-15

    Techniques of ''high pressure'' mass spectrometry have been employed to study the exchange of hydrogen isotopes in carbon-containing products of ion-molecule reactions. Comparison of the positively charged mass spectra of H{sub 2} + CH{sub 4}, D{sub 2} + CH{sub 4} and T{sub 2} + CH{sub 4} mixtures with those of the individual components, observed for source pressures of approximately 0.1 torr, demonstrated that the CH{sup +}{sub 3} and molecular hydrogen primary ions react rapidly with the other component of the gas mixture to create, by consecutive reactions, secondary and tertiary ionic species in which the hydrogen isotopes are extensively exchanged. When methane is added to D{sub 2}, the principal species of deuterium, D{sub 2}{sup +} and D{sub 3}{sup +}, are almost completely quenched; and C{sub 2}H{sub 4}D{sup +}, C{sub 2}H{sub 3}D{sub 2}{sup +} and C{sub 2}H{sub 2}D{sub 3}{sup +} are formed in high yield. The CH{sub 3}{sup +} ion is also shown to react readily with D{sub 2} molecules to produce the same deuterated ethyl species. Analogous findings came from study of T{sub 2}-CH{sub 4} systems. Observations on H{sub 2} + CH{sub 4} mixtures confirmed that the deuterated and tritiated products were C{sub 2}H{sub 5}{sup +} -type ions with one, two or three hydrogen atoms replaced by the heavier isotope. Correspondence of appearance potentials and ionization efficiency curves gave further evidence that D{sub 2}{sup +} and CH{sub 3}{sup +} are the primary precursors of the deuterated ethyl ions. The enhancements of the C{sub 2}H{sub 4}D{sup +}/C{sub 2}H{sub 5}{sup +}, C{sub 2}H{sub 3}D{sub 2}{sup +}/C{sub 2}H{sub 5}{sup +} intensity ratios observed with increasing deuterium concentration (at constant CH{sub 4} pressure) suggest that the isotopically-exchanged species are produced by mechanisms involving consecutive ion-molecule reactions that are at least one kinetic order higher in D{sub 2} concentration than those for formation of C{sub 2}H{sub 5}{sup +}. This

  8. Edge localized modes and edge pedestal in NBI and ICRF heated H, D and T-plasmas in JET

    International Nuclear Information System (INIS)

    Bhatnagar, V.; Lingertat, J.; Barnsley, R.

    1998-12-01

    Based on experiments carried out in JET in D:T mixtures varying from 100:0 to 5:95 and those carried out in hydrogen plasmas, the isotopic mass dependence of ELM parameters and the edge pedestal pressure in neutral beam (NBI) and ion cyclotron resonance (ICRF) heated H-mode plasmas is presented. The ELM frequency is found to decrease with the atomic mass number both in ICRH and NBI discharges. However, the frequency in the case of ICRH is about 8 - 10 times higher than in the NBI case. Assuming that ELMs occur at a critical edge pressure gradient, limited by the ballooning instability, the scaling of the maximum edge pressure is most consistent with the assumption that the width of the transport barrier scales as the ion poloidal Larmor radius governed by the average energy of fast ions at the edge. The critical edge pressure in NBI heated discharges increases with the isotopic mass which. is consistent with the higher deduced width of the edge transport, barrier in tritium than in deuterium and hydrogen. The critical edge pressure in ICRH discharges is smaller, presumably, due to the smaller fast-ion contribution to the edge region. As a consequence of the edge pressure scaling with isotopic mass, the edge operational space in the n e - T e diagram increases with operation in tritium. If the evidence that the edge pedestal width is governed by the average energy of fast ions in the edge prevails, the pedestal in ITER would be controlled by the slowing down energy spectrum of α-particles in the edge. (author)

  9. Analyzing powers for the three-nucleon breakup reaction 1H(d vector,p)pn at 16 MeV

    International Nuclear Information System (INIS)

    Brown, R.E.; Ohlsen, G.G.; Correll, F.D.; Hardekopf, R.A.; Jarmie, N.

    1980-01-01

    Analyzing powers for the 1 H(d,p)pn reaction were measured at 16.0 MeV and beam polarization of approximately 0.82. Similar data for the elastic scattering 1 H(d,p) 2 H were also taken. The breakup analyzing power A/sub xz/, which attains the largest magnitude, is shown as a function of excitation energy. Angular distributions of elastic and breakup analyzing powers are compared; large differences are noted for A/sub xx/ and A/sub xz/. It is found that 1-MeV energy bins are too large to use in the study of singlet-state effects. 2 figures

  10. Thermodynamic optimization of heat exchanger tanks by exergy ...

    African Journals Online (AJOL)

    The paper introduces heat exchanger tanks, detailing their dominant thermodynamic relations to obtain the exergy analysis relations of heat exchanger tanks. Heat exchanger tank is examined under various laboratory conditions, including the power of heat element inside the tank, mass flow rate of cooling water of tank ...

  11. Analysis of 2H(d vector, p)3H reaction at 30-90 keV by four-body Faddeev-Yakubovsky equation

    International Nuclear Information System (INIS)

    Uzu, Eizo; Oryu, Shinsho; Tanifuji, Makoto.

    1993-01-01

    Low-energy 2 H(d vector, p) 3 H reactions are investigated by the four-body Faddeev-Yakubovsky equations. Cross sections and tensor analyzing powers are calculated at 30-90 keV energies. The PEST-1 potentials are used for nucleon-nucleon interactions. The [2+2] and [3+1] subamplitudes are treated by the Hilbert-Schmidt expansions. Numerical results give qualitative explanation of experimental data. (author)

  12. Dynamical Mass Generation.

    Science.gov (United States)

    Mendel Horwitz, Roberto Ruben

    1982-03-01

    In the framework of the Glashow-Weinberg-Salem model without elementary scalar particles, we show that masses for fermions and intermediate vector bosons can be generated dynamically. The mechanism is the formation of fermion-antifermion pseudoscalar bound states of zero total four momentum, which form a condensate in the physical vacuum. The force responsible for the binding is the short distance part of the net Coulomb force due to photon and Z exchange. Fermions and bosons acquire masses through their interaction with this condensate. The neutrinos remain massless because their righthanded components have no interactions. Also the charge -1/3 quarks remain massless because the repulsive force from the Z exchange dominates over the Coulomb force. To correct this, we propose two possible modifications to the theory. One is to cut off the Z exchange at very small distances, so that all fermions except the neutrinos acquire masses, which are then, purely electromagnetic in origin. The other is to introduce an additional gauge boson that couples to all quarks with a pure vector coupling. To make this vector boson unobservable at usual energies, at least two new fermions must couple to it. The vector boson squared masses receive additive contributions from all the fermion squared masses. The photon remains massless and the masses of the Z and W('(+OR -)) bosons are shown to be related through the Weinberg angle in the conventional way. Assuming only three families of fermions, we obtain estimates for the top quark mass.

  13. Mass Spectrometry of Halopyrazolium Salts

    DEFF Research Database (Denmark)

    Larsen, Elfinn; Egsgaard, Helge; Pande, U. C.

    1983-01-01

    Eleven halogen substituted 1-methyl-2-phenylpyrazolium bromides or chlorides were investigated by field desorption, field ionization, and electron impact mass spectrometry. Dealkylation was found to be the predominant thermal decomposition. An exchange between covalent and ionic halogen prior...

  14. Isotopic Exchange HPLC-HRMS/MS Applied to Cyclic Proanthocyanidins in Wine and Cranberries

    Science.gov (United States)

    Longo, Edoardo; Rossetti, Fabrizio; Scampicchio, Matteo; Boselli, Emanuele

    2018-01-01

    Cyclic B-type proanthocyanidins in red wines and grapes have been discovered recently. However, proanthocyanidins of a different chemical structure (non-cyclic A-type proanthocyanidins) already known to be present in cranberries and wine possess an identical theoretical mass. As a matter of fact, the retention times and the MS/MS fragmentations found for the proposed novel cyclic B-type tetrameric proanthocyanidin in red wine and the known tetrameric proanthocyanidin in a cranberry extract are herein shown to be identical. Thus, hydrogen/deuterium (H/D) exchange was applied to HPLC-HRMS/MS to confirm the actual chemical structure of the new oligomeric proanthocyanidins. The comparison of the results in water and deuterium oxide and between wine and cranberry extract indicates that the cyclic B-type tetrameric proanthocyanidin is the actual constituent of the recently proposed novel tetrameric species ([C60H49O24]+, m/z 1153.2608). Surprisingly, the same compound was also identified as the main tetrameric proanthocyanidin in cranberries. Finally, a totally new cyclic B-type hexameric proanthocyanidin ([C90H73O36]+, m/z 1729.3876) belonging to this novel class was identified for the first time in red wine. [Figure not available: see fulltext.

  15. Pu Anion Exchange Process Intensification

    International Nuclear Information System (INIS)

    Taylor-Pashow, Kathryn M. L.

    2017-01-01

    This research is focused on improving the efficiency of the anion exchange process for purifying plutonium. While initially focused on plutonium, the technology could also be applied to other ion-exchange processes. Work in FY17 focused on the improvement and optimization of porous foam columns that were initially developed in FY16. These foam columns were surface functionalized with poly(4-vinylpyridine) (PVP) to provide the Pu specific anion-exchange sites. Two different polymerization methods were explored for maximizing the surface functionalization with the PVP. The open-celled polymeric foams have large open pores and large surface areas available for sorption. The fluid passes through the large open pores of this material, allowing convection to be the dominant mechanism by which mass transport takes place. These materials generally have very low densities, open-celled structures with high cell interconnectivity, small cell sizes, uniform cell size distributions, and high structural integrity. These porous foam columns provide advantages over the typical porous resin beads by eliminating the slow diffusion through resin beads, making the anion-exchange sites easily accessible on the foam surfaces. The best performing samples exceeded the Pu capacity of the commercially available resin, and also offered the advantage of sharper elution profiles, resulting in a more concentrated product, with less loss of material to the dilute heads and tails cuts. An alternate approach to improving the efficiency of this process was also explored through the development of a microchannel array system for performing the anion exchange.

  16. Pu Anion Exchange Process Intensification

    Energy Technology Data Exchange (ETDEWEB)

    Taylor-Pashow, Kathryn M. L. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-10-06

    This research is focused on improving the efficiency of the anion exchange process for purifying plutonium. While initially focused on plutonium, the technology could also be applied to other ion-exchange processes. Work in FY17 focused on the improvement and optimization of porous foam columns that were initially developed in FY16. These foam columns were surface functionalized with poly(4-vinylpyridine) (PVP) to provide the Pu specific anion-exchange sites. Two different polymerization methods were explored for maximizing the surface functionalization with the PVP. The open-celled polymeric foams have large open pores and large surface areas available for sorption. The fluid passes through the large open pores of this material, allowing convection to be the dominant mechanism by which mass transport takes place. These materials generally have very low densities, open-celled structures with high cell interconnectivity, small cell sizes, uniform cell size distributions, and high structural integrity. These porous foam columns provide advantages over the typical porous resin beads by eliminating the slow diffusion through resin beads, making the anion-exchange sites easily accessible on the foam surfaces. The best performing samples exceeded the Pu capacity of the commercially available resin, and also offered the advantage of sharper elution profiles, resulting in a more concentrated product, with less loss of material to the dilute heads and tails cuts. An alternate approach to improving the efficiency of this process was also explored through the development of a microchannel array system for performing the anion exchange.

  17. Exchange market pressure

    NARCIS (Netherlands)

    Jager, H.; Klaassen, F.; Durlauf, S.N.; Blume, L.E.

    2010-01-01

    Currencies can be under severe pressure in the foreign exchange market, but in a fixed (or managed) exchange rate regime that is not fully visible via the change in the exchange rate. Exchange market pressure (EMP) is a concept developed to nevertheless measure the pressure in such cases. This

  18. H(D) → D(H) + Cu(111) collision system: molecular dynamics study of surface temperature effects.

    Science.gov (United States)

    Vurdu, Can D; Güvenç, Ziya B

    2011-04-28

    All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London-Eyring-Polanyi-Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and

  19. Density functional study of vibrational, thermodynamic and elastic properties of ZrCo and ZrCoX3 (X = H, D and T) compounds

    International Nuclear Information System (INIS)

    Chattaraj, D.; Parida, S.C.; Dash, Smruti; Majumder, C.

    2015-01-01

    Highlights: • The physico-chemical properties of ZrCo and its hydrides were studied. • The isotope effect on vibrational and thermodynamic properties was investigated. • The changes in elastic properties due to hydrogenation of ZrCo were investigated. • Thermodynamics properties of ZrCo and its hydrides were calculated. - Abstract: The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX 3 (X = H, D and T) are reported. While the electronic structure calculations are performed using plane wave pseudopotential approach, the effect of isotopes on the vibrational and thermodynamic properties has been demonstrated through frozen phonon approach. The results reveal significant difference between the ZrCoH 3 and its isotopic analogs in terms of phonon frequencies and zero point energies. For example, the energy gap between optical and acoustic modes reduces in the order of ZrCoT 3 > ZrCoD 3 > ZrCoH 3 . The vibrational properties shows that the intermetallic ZrCo is dynamically stable whereas ZrCoX 3 (X = H, D and T) are dynamically unstable. The calculated formation energies of ZrCoX 3 , including the ZPE, are −146.7, −158.3 and −164.1 kJ/(mole of ZrCoX 3 ) for X = H, D and T, respectively. In addition, the changes in elastic properties of ZrCo upon hydrogenation have also been investigated. The results show that both ZrCo and ZrCoH 3 are mechanically stable at ambient pressure. The Debye temperatures of both ZrCo and ZrCoH 3 are determined using the calculated elastic moduli

  20. Density functional study of vibrational, thermodynamic and elastic properties of ZrCo and ZrCoX{sub 3} (X = H, D and T) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Chattaraj, D., E-mail: debchem@barc.gov.in [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Parida, S.C.; Dash, Smruti [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Majumder, C. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2015-04-25

    Highlights: • The physico-chemical properties of ZrCo and its hydrides were studied. • The isotope effect on vibrational and thermodynamic properties was investigated. • The changes in elastic properties due to hydrogenation of ZrCo were investigated. • Thermodynamics properties of ZrCo and its hydrides were calculated. - Abstract: The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX{sub 3} (X = H, D and T) are reported. While the electronic structure calculations are performed using plane wave pseudopotential approach, the effect of isotopes on the vibrational and thermodynamic properties has been demonstrated through frozen phonon approach. The results reveal significant difference between the ZrCoH{sub 3} and its isotopic analogs in terms of phonon frequencies and zero point energies. For example, the energy gap between optical and acoustic modes reduces in the order of ZrCoT{sub 3} > ZrCoD{sub 3} > ZrCoH{sub 3}. The vibrational properties shows that the intermetallic ZrCo is dynamically stable whereas ZrCoX{sub 3} (X = H, D and T) are dynamically unstable. The calculated formation energies of ZrCoX{sub 3}, including the ZPE, are −146.7, −158.3 and −164.1 kJ/(mole of ZrCoX{sub 3}) for X = H, D and T, respectively. In addition, the changes in elastic properties of ZrCo upon hydrogenation have also been investigated. The results show that both ZrCo and ZrCoH{sub 3} are mechanically stable at ambient pressure. The Debye temperatures of both ZrCo and ZrCoH{sub 3} are determined using the calculated elastic moduli.

  1. Response-function measurement of an NE213 scintillator using the [sup 2]H(d, n)[sup 3]He reaction

    Energy Technology Data Exchange (ETDEWEB)

    Aksoy, A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Coban, A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Naqvi, A.A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Khiari, F.Z. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Hanly, J.M. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Howell, C.R. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Tornow, W. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Felsher, P.D. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Al-Ohali, M.A. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Walter, R.L. (Duke Univ., Nuclear Labs., Durham, NC (United States))

    1994-01-01

    The response function of a 12.5 cm diameter NE213 scintillator detector has been measured over neutron energies ranging from 4.9 to 16.6 MeV. Beams of monoenergetic neutrons were produced using the [sup 2]H(d, n)[sup 3]He reaction. The response function is about 12% lower than previously reported values for a similar detector obtained using a continuous spectrum of neutrons from a [sup 252]Cf fission source. However, the present response function agrees with portions of data sets obtained in published work that used monoenergetic neutron source reactions. (orig.)

  2. Hydrogen isotope analysis by quadrupole mass spectrometry

    International Nuclear Information System (INIS)

    Ellefson, R.E.; Moddeman, W.E.; Dylla, H.F.

    1981-03-01

    The analysis of isotopes of hydrogen (H, D, T) and helium ( 3 He, 4 He) and selected impurities using a quadrupole mass spectrometer (QMS) has been investigated as a method of measuring the purity of tritium gas for injection into the Tokamak Fusion Test Reactor (TFTR). A QMS was used at low resolution, m/Δm 3 He, and 4 He in HT/D 2

  3. Isotopic Exchange in Porous and Dense Magnesium Borohydride.

    Science.gov (United States)

    Zavorotynska, Olena; Deledda, Stefano; Li, Guanqiao; Matsuo, Motoaki; Orimo, Shin-ichi; Hauback, Bjørn C

    2015-09-01

    Magnesium borohydride (Mg(BH4)2) is one of the most promising complex hydrides presently studied for energy-related applications. Many of its properties depend on the stability of the BH4(-) anion. The BH4(-) stability was investigated with respect to H→D exchange. In situ Raman measurements on high-surface-area porous Mg(BH4 )2 in 0.3 MPa D2 have shown that the isotopic exchange at appreciable rates occurs already at 373 K. This is the lowest exchange temperature observed in stable borohydrides. Gas-solid isotopic exchange follows the BH4(-) +D˙ →BH3D(-) +H˙ mechanism at least at the initial reaction steps. Ex situ deuteration of porous Mg(BH4)2 and its dense-phase polymorph indicates that the intrinsic porosity of the hydride is the key behind the high isotopic exchange rates. It implies that the solid-state H(D) diffusion is considerably slower than the gas-solid H→D exchange reaction at the surface and it is a rate-limiting steps for hydrogen desorption and absorption in Mg(BH4)2. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Experimental study of heat transfer in a heat exchanger with rectangular channels

    International Nuclear Information System (INIS)

    Hammami, Mahmoud; Ben Said, Akrem; Ben Maad, Rejeb; Rebay, Mourad

    2009-01-01

    This paper presents the results of an experimental study related to characterisation of a mini channel heat exchanger. Such heat exchanger may be used in water cooling of electronic components. The results obtained show the efficiency of this exchanger even with very low water flow rates. Indeed, in spite of the importance of the extracted heat fluxes which can reach about 50Kw/m 2 , the temperature of the cooled Aluminium bloc remained always lower than the tolerated threshold of 80 degree in electronic cooling. Moreover, several thermal characteristics such as equivalent thermal resistance of the exchanger, the average internal convective heat transfer coefficient and the increase in the temperature of the cooling water have been measured. The results presented have been obtained with in q uinconce r ectangular mini-channel heat exchanger, with a hydraulic diameter D h = 2mm. NOMENCLATURE h D Hydraulic diameter (mm). int

  5. Homogeneous cation exchange membrane by radiation grafting

    International Nuclear Information System (INIS)

    Kolhe, Shailesh M.; G, Agathian; Ashok Kumar

    2001-01-01

    Preparation of a strong cation exchange membrane by radiation grafting of styrene on to polyethylene (LDPE) film by mutual irradiation technique in the presence of air followed by sulfonation is described. The grafting has been carried out in the presence of air and without any additive. Low dose rate has been seen to facilitate the grafting. Further higher the grafting percentage more is the exchange capacity. The addition of a swelling agent during the sulfonation helped in achieving the high exchange capacity. The TGA-MASS analysis confirmed the grafting and the sulfonation. (author)

  6. Small-angle neutron polarization for the 2H(d vector,n vector)3He reaction near Esub(d) = 8MeV

    International Nuclear Information System (INIS)

    Tornow, W.; Woye, W.; Mack, G.

    1981-01-01

    Considerable improvement in the quality of analyzing power experiments performed with polarized fast neutrons has been achieved during the last few years by using neutrons from the polarization transfer reaction 2 H(d vector,n vector) 3 He at a reaction angle of theta = 0 0 . To compromise in these experiments between intensity problems and finite geometry corrections, it is desirable in some instances to subtend a full-width angle Δtheta of 20 0 (lab) centered about theta = 0 0 . In order to investigate the suitability of this reaction as a source of polarized neutrons for cases where the scatterer is close to the neutron source, the neutron polarization of the reaction 2 H(d vector,n vector) 3 He has been studied with Δtheta of about 3 0 in 3 0 steps out to theta = 20 0 (lab). An incident deuteron energy near 8 MeV was chosen to yield outgoing neutrons at 11.0 MeV, a typical energy for neutron analyzing power experiments. It is found that the effective neutron polarization, a combination of the two polarizations measured when the direction of the deuteron polarization is inverted or flipped at the polarized ion source, is large and nearly constant for angles between theta = 0 0 and theta = 10 0 (lab). (orig.)

  7. Determination and theoretical analysis of the differential cross sections of the 2H(d,p) reaction at energies and detection angles suitable for NRA (Nuclear Reaction Analysis)

    International Nuclear Information System (INIS)

    Paneta, V.; Axiotis, M.; Lagoyannis, A.; Gastis, P.; Kokkoris, M.; Vlastou, R.; Kontos, A.; Mayer, M.; Misaelides, P.; Perdikakis, G.

    2014-01-01

    The accurate determination of deuteron depth profile presents a strong analytical challenge for all the principal IBA (Ion Beam Analysis) techniques. As far as NRA (Nuclear Reaction Analysis) is concerned, the 2 H(d,p) reaction, seems to be a promising candidate, especially in the case of complex matrices, or for the study of deep-implanted deuteron layers. In the present work differential cross-section values for the 2 H(d,p) reaction have been determined at 140, 160 and 170 degrees, for E d (lab) = 900-1600 keV, with an energy step of 50 keV, using a well-characterized, thin C:D target deposited on a polished Si wafer. The detection system consisted of 3 silicon surface barrier (SSB) detectors (thickness of 1000 μm) placed at a distance of about 11-13 cm from the target, at the appropriate angles. The experimental results were analyzed using the R-matrix calculations code AZURE. The results, in graphical and tabular form, will soon be available to the scientific community through IBANDL

  8. Impact of Different H/D Ratio on Axial Gas Holdup Measured by Four-Tips Optical Fiber Probe in Slurry Bubble Column

    Directory of Open Access Journals (Sweden)

    Yasser Imad Abdulaziz

    2016-02-01

    Full Text Available In wide range of chemical, petrochemical and energy processes, it is not possible to manage without slurry bubble column reactors. In this investigation, time average local gas holdup was recorded for three different height to diameter (H/D ratios 3, 4 and 5 in 18" diameter slurry bubble column. Air-water-glass beads system was used with superficial velocity up to 0.24 m/s. the gas holdup was measured using 4-tips optical fiber probe technique. The results show that the axial gas holdup increases almost linearly with the superficial gas velocity in 0.08 m/s and levels off with a further increase of velocity. A comparison of the present data with those reported for other slurry bubble column having diameters larger than 18" and H/D higher than 5 indicated that there is little effect of diameter on gas holdup. Also, local section-average gas holdups increase with increasing superficial gas velocity, while the effect of solid loading are less significant than that of superficial gas velocity.

  9. SPEEDUPtrademark ion exchange column model

    International Nuclear Information System (INIS)

    Hang, T.

    2000-01-01

    A transient model to describe the process of loading a solute onto the granular fixed bed in an ion exchange (IX) column has been developed using the SpeedUptrademark software package. SpeedUp offers the advantage of smooth integration into other existing SpeedUp flowsheet models. The mathematical algorithm of a porous particle diffusion model was adopted to account for convection, axial dispersion, film mass transfer, and pore diffusion. The method of orthogonal collocation on finite elements was employed to solve the governing transport equations. The model allows the use of a non-linear Langmuir isotherm based on an effective binary ionic exchange process. The SpeedUp column model was tested by comparing to the analytical solutions of three transport problems from the ion exchange literature. In addition, a sample calculation of a train of three crystalline silicotitanate (CST) IX columns in series was made using both the SpeedUp model and Purdue University's VERSE-LC code. All test cases showed excellent agreement between the SpeedUp model results and the test data. The model can be readily used for SuperLigtrademark ion exchange resins, once the experimental data are complete

  10. Isotopically exchangeable phosphorus

    International Nuclear Information System (INIS)

    Barbaro, N.O.

    1984-01-01

    A critique revision of isotope dilution is presented. The concepts and use of exchangeable phosphorus, the phosphate adsorption, the kinetics of isotopic exchange and the equilibrium time in soils are discussed. (M.A.C.) [pt

  11. NCHRP peer exchange 2008.

    Science.gov (United States)

    2008-09-01

    Peer exchanges for state department of transportation (DOT) research programs originated with : the Intermodal Surface Transportation Efficiency Act of 1991 (ISTEA). That federal legislation : required the states to conduct periodic peer exchanges to...

  12. Indiana Health Information Exchange

    Science.gov (United States)

    The Indiana Health Information Exchange is comprised of various Indiana health care institutions, established to help improve patient safety and is recognized as a best practice for health information exchange.

  13. Fundamentals of ion exchange

    International Nuclear Information System (INIS)

    Townsend, R.P.

    1993-01-01

    In this paper the fundamentals of ion exchange mechanisms and their thermodynamics are described. A range of ion exchange materials is considered and problems of communication and technology transfer between scientists working in the field are discussed. (UK)

  14. Use of hydrogen-deuterium exchange for contrast in {sup 1}H NMR microscopy investigations of an operating PEM fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Feindel, Kirk W.; Bergens, Steven H.; Wasylishen, Roderick E. [Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alta. T6G 2G2 (Canada)

    2007-11-08

    The use of hydrogen-deuterium (H-D) exchange as a method to introduce contrast in {sup 1}H NMR microscopy images and to investigate the dynamic distribution of water throughout an operating H{sub 2}/O{sub 2} polymer electrolyte membrane fuel cell, PEMFC, is demonstrated. Cycling D{sub 2}O(l) through the flow channels of a PEMFC causes H-D exchange with water in the PEM to result in a D{sub 2}O-saturated PEM and thus concomitant removal of the {sup 1}H NMR signal. Subsequent operation of the PEMFC with H{sub 2}(g) enables visualization of the redistribution of water from wet or flooded conditions as H-D exchange occurs with D{sub 2}O in the PEM and results in recovery of the {sup 1}H NMR signal. Alternating between H{sub 2}(g) and D{sub 2}(g) as fuel allows observation of water distributions in the PEM while the cell is operating at a steady-state under low relative humidity. At similar currents, the rate of observable H-D exchange in the PEM during fuel cell operation was faster when the PEM was saturated with water than when under low relative humidity. These results are consistent with the known proportions of the conductive hydrophilic and nonconductive hydrophobic domains of Nafion when exposed to different relative humidities. (author)

  15. Interventions to improve executive functioning and working memory in school-aged children with AD(H)D: a randomised controlled trial and stepped-care approach.

    Science.gov (United States)

    van der Donk, Marthe L A; Hiemstra-Beernink, Anne-Claire; Tjeenk-Kalff, Ariane C; van der Leij, Aryan V; Lindauer, Ramón J L

    2013-01-11

    Deficits in executive functioning are of great significance in attention-deficit/hyperactivity disorder (ADHD). One of these executive functions, working memory, plays an important role in academic performance and is often seen as the core deficit of this disorder. There are indications that working memory problems and academic performance can be improved by school-oriented interventions but this has not yet been studied systematically. In this study we will determine the short- and long-term effects of a working memory--and an executive function training applied in a school situation for children with AD(H)D, taking individual characteristics, the level of impairment and costs (stepped-care approach) into account. The study consists of two parts: the first part is a randomised controlled trial with school-aged children (8-12 yrs) with AD(H)D. Two groups (each n = 50) will be randomly assigned to a well studied computerized working memory training 'Cogmed', or to the 'Paying attention in class' intervention which is an experimental school-based executive function training. Children will be selected from regular -and special education primary schools in the region of Amsterdam, the Netherlands. The second part of the study will determine which specific characteristics are related to non-response of the 'Paying attention in class' intervention. School-aged children (8-12 yrs) with AD(H)D will follow the experimental school-based executive function training 'Paying attention in class' (n = 175). Academic performance and neurocognitive functioning (primary outcomes) are assessed before, directly after and 6 months after training. Secondary outcome measures are: behaviour in class, behaviour problems and quality of life. So far, there is limited but promising evidence that working memory - and other executive function interventions can improve academic performance. Little is know about the applicability and generalization effects of these interventions in a classroom

  16. Exchange rate policy

    Directory of Open Access Journals (Sweden)

    Plačkov Slađana

    2013-01-01

    Full Text Available Small oscillations of exchange rate certainly affect the loss of confidence in the currency (Serbian dinar, CSD and because of the shallow market even the smallest change in the supply and demand leads to a shift in exchange rate and brings uncertainty. Some economists suggest that the course should be linked to inflation and thus ensure predictable and stable exchange rates. Real exchange rate or slightly depressed exchange rate will encourage the competitiveness of exporters and perhaps ensure the development of new production lines which, in terms of overvalued exchange rate, had no economic justification. Fixed exchange rate will bring lower interest rates, lower risk and lower business uncertainty (uncertainty avoidance, but Serbia will also reduce foreign exchange reserves by following this trend. On the other hand, a completely free exchange rate, would lead to a (real fall of Serbian currency, which in a certain period would lead to a significant increase in exports, but the consequences for businessmen and citizens with loans pegged to the euro exchange rate, would be disastrous. We will pay special attention to the depreciation of the exchange rate, as it is generally favorable to the export competitiveness of Serbia and, on the other hand, it leads to an increase in debt servicing costs of the government as well as of the private sector. Oscillations of the dinar exchange rate, appreciation and depreciation, sometimes have disastrous consequences on the economy, investors, imports and exports. In subsequent work, we will observe the movement of the dinar exchange rate in Serbia, in the time interval 2009-2012, in order to strike a balance and maintain economic equilibrium. A movement of foreign currencies against the local currency is controlled in the foreign exchange market, so in case economic interests require, The National Bank of Serbia (NBS, on the basis of arbitrary criteria, can intervene in the market.

  17. Improved results for the 2H(d, n)3He transverse vector polarization-transfer coefficient Kyy'(0o) at low energies

    International Nuclear Information System (INIS)

    Roper, C.D.; Dunham, J.D.; Clegg, T.B.; Mendez, A.J.; Tornow, W.; Walter, R.L.

    2010-01-01

    Measurements of the 2 H(d, n) 3 He transverse vector polarization-transfer coefficient K y y' at 0 o . are reported for 29 outgoing neutron energies between 3.94 and 8.47 MeV. Our new results determine K y y' (0 o ) more accurately than previous data, especially for neutron energies below 5 MeV. Low-energy data for this reaction are important both as a high-intensity source of highly polarized neutrons for nuclear physics studies with polarized neutron beams, and as a test of the emerging theoretical descriptions of the four-body system, where recently substantial progress has been made. (author)

  18. p—™tors ™ontrolling the groundw—ter tr—nsport of …D „hD ‚—D ...

    Indian Academy of Sciences (India)

    e model for the groundw—ter tr—nsport of n—tur—lly o™™urring …D „hD ‚—D —nd ‚n nu™lides in the PQV… —nd. PQP„h de™—y series is dis™ussedF „he model developed here t—kes into —™™ount tr—nsport ˜y —dve™tion —nd the physi™oE™hemi™—l pro™esses of we—theringD de™—yD Ere™oilD —nd ...

  19. Study on the 21 MeV neutron flux characteristics obtained in the 3H(d,n)4He reaction using of gas target

    International Nuclear Information System (INIS)

    Lovchikova, G.N.; Polyakov, A.V.; Sal'nikov, O.A.; Simakov, S.P.; Sukhikh, S.Eh.; Trufanov, A.M.

    1983-01-01

    The possibility to use gas tritium target as neutron source with the energy 2 MeV for nuclear-physical studies has been considered. Characteristics of neutron flux crested in the reaction 3 H(d, n) 4 He to obtain neutrons are investigated. The study of inelastic scattering processes at the energies permits to expand the experiments conducted up to the present day on the study of spectra of inelastically scattered neutrons in a lower energy region and it is of interest for the clarification of appearance mechanism of high-energy neutrons in the spectra. Characteristics of neutron flux as a result of the reaction 3 (α, n) 4 He at the energy of falling deuterons Esub(d)=5.54 MeV are investigated. Measurements of spectra of scattered neutrons on carbon-12 at the angles 30, 45, 60, 90, 120, 150 degrees are made. Differential cross sections of elastic scattering are obtained

  20. T20 measurements for 1H(d searrow,γ)3He and the P-wave component of the nucleon-nucleon force

    International Nuclear Information System (INIS)

    Schmid, G.J.; Chasteler, R.M.; Weller, H.R.; Tilley, D.R.; Fonseca, A.C.; Lehman, D.R.

    1996-01-01

    Measurements of T 20 (θ lab =90 degree) for 1 H(d searrow,γ) 3 He, in the energy range E d (lab)=12.7 endash 19.8 MeV, have been compared with the results of new exact three-body Faddeev calculations using the Paris and Bonn-A nucleon-nucleon (NN) potentials. This comparison indicates a strong sensitivity of the T 20 observable to the p-wave part of the NN force. In particular, we find that the 3 P 1 component of the P-wave interaction is the dominant P-wave term affecting the value of T 20 (θ lab =90 degree) at these energies. This contrasts with the results of polarized N-D scattering studies where the 3 P 0 component has been found to dominate. cents 1996 The American Physical Society

  1. Local transport in Joint European Tokamak edge-localized, high-confinement mode plasmas with H, D, DT, and T isotopes

    International Nuclear Information System (INIS)

    Budny, R. V.; Ernst, D. R.; Hahm, T. S.; McCune, D. C.; Christiansen, J. P.; Cordey, J. G.; Gowers, C. G.; Guenther, K.; Hawkes, N.; Jarvis, O. N.

    2000-01-01

    The edge-localized, high-confinement mode regime is of interest for future Tokamak reactors since high performance has been sustained for long durations. Experiments in the Joint European Tokamak [M. Keilhacker , Nuclear Fusion 39, 209 (1999)] have studied this regime using scans with the toroidal field and plasma current varied together in H, D, DT, and T isotopes. The local energy transport in more than fifty of these plasmas is analyzed, and empirical scaling relations are derived for energy transport coefficients during quasi-steady state conditions using dimensionless parameters. Neither the Bohm nor gyro-Bohm expressions give the shapes of the profiles. The scalings with β and ν * are in qualitative agreement with Ion Temperature Gradient theory

  2. Mechanism of Nitrogenase H 2 Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects

    Energy Technology Data Exchange (ETDEWEB)

    Khadka, Nimesh [Department of Chemistry; Milton, Ross D. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States; Shaw, Sudipta [Department of Chemistry; Lukoyanov, Dmitriy [Department; Dean, Dennis R. [Department of Biochemistry, Virginia Tech, Blacksburg, Virginia 24061, United States; Minteer, Shelley D. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States; Raugei, Simone [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Hoffman, Brian M. [Department; Seefeldt, Lance C. [Department of Chemistry

    2017-09-15

    Nitrogenase catalyzes the reduction of dinitrogen (N2) to ammonia (NH3) with obligatory reduction of protons (H+) to dihydrogen (H2) through a mechanism involving reductive elimination of two [Fe-H-Fe] bridging hydrides at its active site FeMo-cofactor. The overall rate-limiting step is associated with ATP-driven electron delivery from Fe protein, precluding isotope effect measurements on substrate reduction steps. Here, we use mediated bioelectrocatalysis to drive electron delivery to MoFe protein without Fe protein and ATP hydrolysis, thereby eliminating the normal rate-limiting step. The ratio of catalytic current in mixtures of H2O and D2O, the proton inventory, changes linearly with the D2O/H2O ratio, revealing that a single H/D is involved in the rate limiting step. Kinetic models, along with measurements that vary the electron/proton delivery rate and use different substrates, reveal that the rate-limiting step under these conditions is the H2 formation reaction. Altering the chemical environment around the active site FeMo-cofactor in the MoFe protein either by substituting nearby amino acids or transferring the isolated FeMo-cofactor into a different peptide matrix, changes the net isotope effect, but the proton inventory plot remains linear, consistent with an unchanging rate-limiting step. Density functional theory predicts a transition state for H2 formation where the proton from S-H+ moves to the hydride in Fe-H-, predicting the number and magnitude of the observed H/D isotope effect. This study not only reveals the mechanism of H2 formation, but also illustrates a strategy for mechanistic study that can be applied to other enzymes and to biomimetic complexes.

  3. Automated exchange transfusion and exchange rate.

    Science.gov (United States)

    Funato, M; Shimada, S; Tamai, H; Taki, H; Yoshioka, Y

    1989-10-01

    An automated blood exchange transfusion (BET) with a two-site technique has been devised by Goldmann et al and by us, using an infusion pump. With this method, we successfully performed exchange transfusions 189 times in the past four years on 110 infants with birth weights ranging from 530 g to 4,000 g. The exchange rate by the automated method was compared with the rate by Diamond's method. Serum bilirubin (SB) levels before and after BET and the maximal SB rebound within 24 hours after BET were: 21.6 +/- 2.4, 11.5 +/- 2.2, and 15.0 +/- 1.5 mg/dl in the automated method, and 22.0 +/- 2.9, 11.2 +/- 2.5, and 17.7 +/- 3.2 mg/dl in Diamond's method, respectively. The result showed that the maximal rebound of the SB level within 24 hours after BET was significantly lower in the automated method than in Diamond's method (p less than 0.01), though SB levels before and after BET were not significantly different between the two methods. The exchange rate was also measured by means of staining the fetal red cells (F cells) both in the automated method and in Diamond's method, and comparing them. The exchange rate of F cells in Diamond's method went down along the theoretical exchange curve proposed by Diamond, while the rate in the automated method was significantly better than in Diamond's, especially in the early stage of BET (p less than 0.01). We believe that the use of this automated method may give better results than Diamond's method in the rate of exchange, because this method is performed with a two-site technique using a peripheral artery and vein.

  4. Oxygen isotope exchange on palladium catalysts

    International Nuclear Information System (INIS)

    Kravchuk, L.S.; Beschetvertnaya, T.I.; Novorodskij, V.G.; Novikova, M.G.; Zaretskij, M.V.; Valieva, S.V.

    1983-01-01

    Oxygen heteromolecular isotope exchange on unreduced palladium catalysts, distingushing by metal content is studied. Content of 18 O in gaseous phase is eoual to 46%. Calculations of heteroexchange rates are conducted with decrease of the 18 O in the gaseous phase over solid sample. Method of oxygen thermodesorption has been used to establish that palladium, deposited on γ-Al 2 O 3 during exchange process is in oxidized state; in this case strength of Pd-O bond is determined by content dispersity) of the metal. It is shown that significant increase of exchange rate on the samples with Pd >> 0.5 mass.% content can be induced as by side decomposition reaction of its oxide and corresponding dilution of gaseous mixture by ''light'' oxygen so by possibility of exchange with oxygen of PdO phase

  5. Ion exchange currents in vacuum accelerator tubes

    International Nuclear Information System (INIS)

    Eastham, D.A.; Thorn, R.

    1978-01-01

    Ion exchange currents (microdischarges) have been observed in short lengths of accelerator tube. The occurrence of these discharges can be related to the trajectories of ions in the tube. High-resolution mass spectra of the negative and positive ion components have been obtained. (author)

  6. Outlook for ion exchange

    International Nuclear Information System (INIS)

    Kunin, R.

    1977-01-01

    This paper presents the history and theory of ion exchange technology and discusses the usefulness of ion exchange resins which found broad applications in chemical operations. It is demonstrated that the theory of ion exchange technology seems to be moving away from the physical chemist back to the polymer chemist where it started originally. This but confronted the polymer chemists with some knotty problems. It is pointed out that one has still to learn how to use ion exchange materials as efficiently as possible in terms of the waste load that is being pumped into the environment. It is interesting to note that, whereas ion exchange is used for abating pollution, it is also a polluter. One must learn how to use ion exchange as an antipollution device, and at the same time minimize its polluting properties

  7. The Inflaton and its Mass

    OpenAIRE

    Brout, Robert

    2002-01-01

    In the context of the two fluid model of space-time fluctuations proposed to tame the transplanckian problem encountered in black hole physics, it is postulated that the inflaton is the fluctuation of mode density, ``the vapor component'' of the model. The mass of the inflaton is occasioned by the exchange of degrees of freedom between the ``vapor'' and the ``liquid'', the planckian ``soup'' in which usual ``cisplanckian'' fields propagate. This exchange between vacuum fluctuations is modeled...

  8. PLT and PDX perpendicular charge-exchange analyzers

    International Nuclear Information System (INIS)

    Mueller, D.; Hammett, G.W.; McCune, D.C.

    1986-01-01

    The perpendicular charge-exchange systems used on the poloidal divertor experiment and the Princeton large torus are comprised of ten-channel, mass-resolved, charge-exchange analyzers. Results from these systems indicate that instrumental effects can lead to erroneous temperature measurements during deuterium neutral beam injection or at low hydrogen concentrations

  9. Microsoft Exchange 2013 cookbook

    CERN Document Server

    Van Horenbeeck, Michael

    2013-01-01

    This book is a practical, hands-on guide that provides the reader with a number of clear, step-by-step exercises.""Microsoft Exchange 2013 Cookbook"" is targeted at network administrators who deal with the Exchange server in their day-to-day jobs. It assumes you have some practical experience with previous versions of Exchange (although this is not a requirement), without being a subject matter expert.

  10. Method of burning ion-exchange resin contaminated with radioactivity

    International Nuclear Information System (INIS)

    Suzuki, Shigenori.

    1986-01-01

    Purpose: To process spent ion exchange resins to reduce their volume, without increasing the load on a off-gas system and in a stable state and at the same time not leaving any uncombusted portions. Method: The water slurries of the ion exchange resins contaminated with radioactive materials is dehydrated or dry combusted to reduce the water content. A binder is then added to solidify the ion exchange resin. The solidified ion exchange resins are then combusted in a furnace. This prevents the ion exchange resin from being dispersed by air and combustion gases. Furthermore, the solidified ion exchange resins in the form of small pellets burn from the surface inwards. Moreover the binder is carbonized by the combustion heat and promotes combustion to convert the ion exchange resins into a solid mass, making sure that no uncombusted portion is left. (Takahashi, M.)

  11. Reactor fuel exchanging facility

    International Nuclear Information System (INIS)

    Kubota, Shin-ichi.

    1981-01-01

    Purpose: To enable operation of an emergency manual operating mechanism for a fuel exchanger with all operatorless trucks and remote operation of a manipulator even if the exchanger fails during the fuel exchanging operation. Constitution: When a fuel exchanging system fails while connected to a pressure tube of a nuclear reactor during a fuel exchanging operation, a stand-by self-travelling truck automatically runs along a guide line to the position corresponding to the stopping position at that time of the fuel exchanger based on a command from a central control chamber. At this time the truck is switched to manual operation, and approaches the exchanger while being monitored through a television camera and then stops. Then, a manipurator is connected to the emergency manual operating mechanism of the exchanger, and is operated through necessary emergency steps by driving the snout, the magazine, the grab or the like in the exchanger in response to the problem, and necessary operations for the emergency treatment are thus performed. (Sekiya, K.)

  12. Tritium isotopic exchange in air detritiation dryers

    International Nuclear Information System (INIS)

    Everatt, A.E.; Johnson, R.E.; Senohrabek, J.A.; Shultz, C.M.

    1989-02-01

    Isotopic exchange between tritiated and non-tritiated water species in a molecular sieve bed has been demonstrated. At high humidities (+6 degrees Celsius dew point) the rate of tritium isotopic exchange in a 2.4 L molecular sieve bed has been demonstrated to be at least 50% of published exchange rates. In an industrial-sized air detritiation dryer, utilizing the pretreatment technique of H 2 O steam washing to elute the residual tritium, a DF of 12 600 has been demonstrated when operating at an inlet vapor tritium concentration of 14 Ci/kg and at inlet and outlet dew points of 4.8 and -54 degrees Celsius, respectively. In the NPD dryer bed studied, which was not optimally designed for full benefit from isotopic exchange, at least one order of magnitude in additional detritiation is attributed to isotopic exchange in the unsaturated zone. The technique of eluting the residual tritium from an industrial sized bed by H 2 O washing at high temperature, high humidity and low bed loading has been demonstrated to be a fast and effective way of removing tritium from a molecular sieve bed during regeneration. The isotopic exchange model accurately predicted the exchange between tritiated and non-tritiated water species in a molecular sieve bed where there is no net adsorption or desorption. The model's prediction of the tritium breakthrough trend observed in the NPD tests was poor; however, a forced fit can be achieved if the exchange rates in the MTZ and the unsaturated zone are manipulated. More experiments are needed to determine the relative rates of tritium exchange in the saturated, mass transfer, and unsaturated zones of a dryer bed

  13. GRUNDTVIG in transnational exchange

    DEFF Research Database (Denmark)

    Grundtvig in transnational exchange is the report from the seminar in december 2015 in cooperation with University of Cape Town and University of Hamburg.......Grundtvig in transnational exchange is the report from the seminar in december 2015 in cooperation with University of Cape Town and University of Hamburg....

  14. Building Relationships through Exchange

    Science.gov (United States)

    Primavera, Angi; Hall, Ellen

    2011-01-01

    From the moment of birth, children form and develop relationships with others in their world based on exchange. Children recognize that engaging in such encounters offers them the opportunity to enter into a relationship with another individual and to nurture that relationship through the exchange of messages and gifts, items and ideas. At Boulder…

  15. Exotic baryonium exchanges

    International Nuclear Information System (INIS)

    Nicolescu, B.

    1978-05-01

    The prominent effects supposed to be associated with the exchange of exotic baryonium Regge trajectories are reviewed. The experimental presence of all expected effects leads to suggest that the baryonium exchange mechanism is a correct phenomenological picture and that mesons with isospin 2 or 3/2 or with strangeness 2, strongly coupled to the baryon-antibaryon channels, must be observed

  16. Standardizing exchange formats

    International Nuclear Information System (INIS)

    Lemmel, H.D.; Schmidt, J.J.

    1992-01-01

    An international network of co-operating data centres is described who maintain identical data bases which are simultaneously updated by an agreed data exchange procedure. The agreement covers ''data exchange formats'' which are compatible to the centres' internal data storage and retrieval systems which remain different, optimized at each centre to the available computer facilities and to the needs of the data users. Essential condition for the data exchange is an agreement on common procedures for the data exchange is an agreement on common procedures for the data compilation, including critical data analysis and validation. The systems described (''EXFOR'', ''ENDF'', ''CINDA'') are used for ''nuclear reaction data'', but the principles used for data compilation and exchange should be valid also for other data types. (author). 24 refs, 4 figs

  17. Standard Test Method for Measuring Neutron Fluence and Average Energy from 3H(d,n)4He Neutron Generators by Radioactivation Techniques 1

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method covers a general procedure for the measurement of the fast-neutron fluence rate produced by neutron generators utilizing the 3H(d,n)4He reaction. Neutrons so produced are usually referred to as 14-MeV neutrons, but range in energy depending on a number of factors. This test method does not adequately cover fusion sources where the velocity of the plasma may be an important consideration. 1.2 This test method uses threshold activation reactions to determine the average energy of the neutrons and the neutron fluence at that energy. At least three activities, chosen from an appropriate set of dosimetry reactions, are required to characterize the average energy and fluence. The required activities are typically measured by gamma ray spectroscopy. 1.3 The measurement of reaction products in their metastable states is not covered. If the metastable state decays to the ground state, the ground state reaction may be used. 1.4 The values stated in SI units are to be regarded as standard. No oth...

  18. Ion temperature measurements of H-, D- and He-plasmas in the TCA tokamak by collective Thomson scattering of D2O laser radiation

    International Nuclear Information System (INIS)

    Behn, R.; Dicken, D.; Hackmann, J.; Salito, S.A.; Siegrist, M.R.

    1989-01-01

    Development of collective Thomson scattering as a method to measure the ion temperature of a tokamak plasma has been successful and encouraging results have been obtained during experiments on TCA in H-, D- and He-plasmas. Using a laser source in the far-infrared spectral region allows scattering angles close to 90 o , which results in excellent spatial resolution. The system installed on the TCA tokamak comprises an optically pumped D 2 O laser emitting 0.5 J in a 1.4 μs pulse on its Raman transition at 385μm. A heterodyne receiver with a Schottky barrier diode mixer has been chosen to detect the scattered radiation and analyze its spectral distribution in 12 channels of 80 MHz. Recent improvements of the mixer and 1st IF-amplifier yielded a system NEP of 2.2·10 -19 W/Hz. As a consequence we have obtained results which allow for the first time to evaluate the ion temperature T i in a single laser shot. (author) 3 figs., 1 tab

  19. Proton spectra from 6.3 GeV/c deuteron break-up on H, D, C, Al and Bi nuclei

    International Nuclear Information System (INIS)

    Azhgirey, L.S.; Ignatenko, M.A.; Ivanov, V.V.; Kuznetsov, A.S.; Mescheryakov, M.G.; Razin, S.V.; Stoletov, G.D.; Vzorov, I.K.; Zhmyrov, V.N.

    1977-01-01

    The proton spectra from deuteron break-up on H, D, 12 C, 27 Al and 209 Bi nuclei were measured at an angle of 103 mrad (lab. system) in the momentum interval from 2.6 to 3.6 GeV/c. The measurements were made at the JINR synchrophasotron by one-arm magnetic spectrometer on-line with a computer. The extracted 6.3 GeV/c deuteron beam was incident on targets of CH 2 , CD 2 , C, Al and Bi at the thickness from 0.8 to 2 g/cm 2 . The flux of deuteron beam was equal to 5x10 8 -5x10 9 particles/pulse with a typical pulse length of 300 ms. The repetition rate was one pulse every 10 s. Proton peaks with the maximum at about 3.1 GeV/c and 280-300 MeV/c FWHM dominate in all the measured spectra. Experimental proton spectra are compared with calculations with the Reid, the Moravcsik Gartenhaus, the Hulten and the Gauss wave functions. The results, on the whole, are reasonably reproduced in the framework of the Glauber multiple scattering model taking into account the relativistic deformation of the deuteron wave function

  20. Organic environments on Saturn's moon, Titan: simulating chemical reactions and analyzing products by FT-ICR and ion-trap mass spectrometry.

    Science.gov (United States)

    Somogyi, Arpad; Oh, Chu-Ha; Smith, Mark A; Lunine, Jonathan I

    2005-06-01

    Laboratory simulations have been carried out to model chemical reactions that possibly take place in the stratosphere of Saturn's moon, Titan. The aerosol products of these reactions (tholin samples) have been systematically analyzed by mass spectrometry using electrospray ionization (ESI) and laser desorption (LD). A wide variety of ions with a general formula C(x)H(y)N(z) detected by ultrahigh resolution and accurate mass measurements in a Fourier transform/ion cyclotron resonance (FT-ICR) cell reflect the complexity of these polymeric products, both in chemical compositions and isomeric distributions. As a common feature, however, tandem mass spectral (MS/MS) data and H/D exchange products in the solution phase support the presence of amino and nitrile functionalities in these (highly unsaturated) "tholin" compounds. The present work demonstrates that ESI-MS coupled with FT-ICR is a suitable and "intact" method to analyze tholin components formed under anaerobic conditions; only species with C(x)H(y)N(z) are detected for freshly prepared and harvested samples. However, when intentionally exposed to water, oxygen-containing compounds are unambiguously detected.

  1. Tandem Mass Spectrometry of Modified and Platinated Oligoribonucleotides

    Science.gov (United States)

    Nyakas, Adrien; Stucki, Silvan R.; Schürch, Stefan

    2011-05-01

    Therapeutic approaches for treatment of various diseases aim at the interruption of transcription or translation. Modified oligonucleotides, such as 2'- O-methyl- and methylphosphonate-derivatives, exhibit high resistance against cellular nucleases, thus rendering application for, e.g., antigene or antisense purposes possible. Other approaches are based on administration of cross-linking agents, such as cis-diamminedichloroplatinum(II) (cisplatin, DDP), which is still the most widely used anticancer drug worldwide. Due to the formation of 1,2-intrastrand cross links at adjacent guanines, replication of the double-strand is disturbed, thus resulting in significant cytotoxicity. Evidence for the gas-phase dissociation mechanism of platinated RNA is given, based on nano-electrospray ionization high-resolution multistage tandem mass spectrometry (MS n ). Confirmation was found by investigating the fragmentation pattern of platinated and unplatinated 2'-methoxy oligoribonucleotide hexamers and their corresponding methylphosphonate derivatives. Platinated 2'-methoxy oligoribonucleotides exhibit a similar gas-phase dissociation behavior as the corresponding DNA and RNA sequences, with the 3'-C-O bond adjacent to the vicinal guanines being cleaved preferentially, leading to wx-ion formation. By examination of the corresponding platinated methylphosphonate derivatives of the 2'-methoxy oligoribonucleotides, the key role of the negatively charged phosphate oxygen atoms in direct proximity to the guanines was proven. The significant alteration of fragmentation due to platination is demonstrated by comparison of the fragment ion patterns of unplatinated and platinated 2'- O-methyl- and 2'- O-methyl methylphosphonate oligoribonucleotides, and the results obtained by H/D exchange experiments.

  2. The labeling of unsaturated γ-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C─H bond activation vs reduction by boro-deuterides/tritides.

    Science.gov (United States)

    Marek, Aleš; Pedersen, Martin H F; Vogensen, Stine B; Clausen, Rasmus P; Frølund, Bente; Elbert, Tomáš

    2016-10-01

    3-Hydroxycyclopent-1-ene-1-carboxylic acid (HOCPCA (1)) is a potent ligand for high-affinity γ-hydroxybutyric acid binding sites in the central nervous system. Various approaches to the introduction of a hydrogen label onto the HOCPCA skeleton are reported. The outcomes of the feasible C─H activation of olefin carbon (C-2) by iridium catalyst are compared with the reduction of the carbonyl group (C-3) by freshly prepared borodeuterides. The most efficient iridium catalysts proved to be Kerr bulky phosphine N-heterocyclic species providing outstanding deuterium enrichment (up to 91%) in a short period of time. The highest deuterium enrichment (>99%) was achieved through the reduction of ketone precursor 2 by lithium trimethoxyborodeuteride. Hence, analogical conditions were used for the tritiation experiment. [ 3 H]-HOCPCA selectively labeled on the position C-3 was synthetized with radiochemical purity >99%, an isolated yield of 637 mCi and specific activity = 28.9 Ci/mmol. Copyright © 2016 John Wiley & Sons, Ltd.

  3. The labeling of unsaturated γ-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C─H bond activation vs reduction by boro-deuterides/tritides

    DEFF Research Database (Denmark)

    Marek, Ales; Pedersen, Martin Holst Friborg; Vogensen, Stine B.

    2016-01-01

    3-Hydroxycyclopent-1-ene-1-carboxylic acid (HOCPCA ( 1 )) is a potent ligand for high-affinity γ-hydroxybutyric acid binding sites in the central nervous system. Various approaches to the introduction of a hydrogen label onto the HOCPCA skeleton are reported. The outcomes of the feasible C...

  4. Determination of aminopolycarboxylic acids at ultra-trace levels by means of online coupling ion exchange chromatography and inductively coupled plasma-mass spectrometry with indirect detection via their Pd2+-complexes

    International Nuclear Information System (INIS)

    Nette, David; Seubert, Andreas

    2015-01-01

    Highlights: • 8 important APCA’s analyzed in one run instead of 3 in the previous method. • Pd 2+ extents the methods applicability to 3 and more dentate amino carboxylic acids. • Separation system optimized for the isocratic determination of important APCA’s. • Thermodynamic stability of APCA–Pd 2+ complexes is higher than for Fe 3+ and In 3+ . • Pd 2+ is kinetically much slower than Fe 3+ and In 3+ and makes the method more rugged. - Abstract: A new indirect IC-ICP-MS method for the determination of aminopolycarboxylic acids in water samples is described. It is based on the addition of an excess of Pd(II) to water samples. The analytes are forced into very strong and negatively charged palladium complexes, separated by ion exchange chromatography and detected by their palladium content, utilizing an on-line coupled ICP-MS. This method is suitable to determine the concentration of 8 aminopolycarboxylic acids (nitrilotriacetic acid (NTA), (2-carboxyethyl) iminodiacetic acid (β-ADA), methylglycinediacetic acid (MGDA), 2-hydroxyethyl) ethylenediamine triacetic acid (HEDTA), diethylene triamine pentaacetic acid (DTPA), ethylendiamine tetraacetic acid (EDTA), 1,3-diaminopropane tetraacetic acid (1,3-PDTA) and 1,2-diaminopropane tetraacetic acid (1,2-PDTA) at the ng kg −1 level. The method is faster and easier than the established gas chromatography (GC)-method ISO 16588:2002 [1] and up to two orders of magnitude more sensitive than the ion pair chromatography based method of DIN 38413-8. Analytic performance is superior to ISO 16588:2002 and the comparability is good

  5. Determination of aminopolycarboxylic acids at ultra-trace levels by means of online coupling ion exchange chromatography and inductively coupled plasma-mass spectrometry with indirect detection via their Pd{sup 2+}-complexes

    Energy Technology Data Exchange (ETDEWEB)

    Nette, David; Seubert, Andreas, E-mail: seubert@staff.uni-marburg.de

    2015-07-16

    Highlights: • 8 important APCA’s analyzed in one run instead of 3 in the previous method. • Pd{sup 2+} extents the methods applicability to 3 and more dentate amino carboxylic acids. • Separation system optimized for the isocratic determination of important APCA’s. • Thermodynamic stability of APCA–Pd{sup 2+} complexes is higher than for Fe{sup 3+} and In{sup 3+}. • Pd{sup 2+} is kinetically much slower than Fe{sup 3+} and In{sup 3+} and makes the method more rugged. - Abstract: A new indirect IC-ICP-MS method for the determination of aminopolycarboxylic acids in water samples is described. It is based on the addition of an excess of Pd(II) to water samples. The analytes are forced into very strong and negatively charged palladium complexes, separated by ion exchange chromatography and detected by their palladium content, utilizing an on-line coupled ICP-MS. This method is suitable to determine the concentration of 8 aminopolycarboxylic acids (nitrilotriacetic acid (NTA), (2-carboxyethyl) iminodiacetic acid (β-ADA), methylglycinediacetic acid (MGDA), 2-hydroxyethyl) ethylenediamine triacetic acid (HEDTA), diethylene triamine pentaacetic acid (DTPA), ethylendiamine tetraacetic acid (EDTA), 1,3-diaminopropane tetraacetic acid (1,3-PDTA) and 1,2-diaminopropane tetraacetic acid (1,2-PDTA) at the ng kg{sup −1} level. The method is faster and easier than the established gas chromatography (GC)-method ISO 16588:2002 [1] and up to two orders of magnitude more sensitive than the ion pair chromatography based method of DIN 38413-8. Analytic performance is superior to ISO 16588:2002 and the comparability is good.

  6. Optimization of an anion-exchange high performance liquid chromatography-inductively coupled plasma-mass spectrometric method for the speciation analysis of oxyanion-forming metals and metalloids in leachates from cement-based materials.

    Science.gov (United States)

    Mulugeta, Mesay; Wibetoe, Grethe; Engelsen, Christian J; Lund, Walter

    2010-10-01

    A method was developed for the speciation analysis of the oxyanions of As(III), As(V), Cr(VI), Mo(VI), Sb(III), Sb(V), Se(IV), Se(VI) and V(V) in leachates from cement-based materials, based on anion-exchange HPLC coupled with ICP-MS. The method was optimized in a two-step multivariate approach: the effect of sample pH and mobile phase composition on resolution, peak symmetry and analysis time was studied. Optimum conditions were then identified for the significant experimental factors by studying their interdependence. A mobile phase composition of 20 mM ammonium nitrate, 50 mM ammonium tartrate and pH 9.5 was found to be a compromise optimum for the separation of the target analytes using isocratic elution. The optimum condition provided separation of the analytes in less than 6 min, at a mobile phase flow rate of 1.0 mL/min. The signal intensities of the analytes were improved by adding 1% methanol to the mobile phase. The limit of detection of the method was in the range 0.2-2.2 μg/L for the various species. The effect of sample constituents was studied using spiked concrete leachates. The method was used to determine the target oxyanionic species in leachates generated from a concrete material in the pH range 3.5-12.4; CrO(4)(2-), MoO(4)(2-) and VO(4)(3-) were detected in most of the leachates. Copyright © 2010 Elsevier B.V. All rights reserved.

  7. Anion exchange membrane

    Science.gov (United States)

    Verkade, John G; Wadhwa, Kuldeep; Kong, Xueqian; Schmidt-Rohr, Klaus

    2013-05-07

    An anion exchange membrane and fuel cell incorporating the anion exchange membrane are detailed in which proazaphosphatrane and azaphosphatrane cations are covalently bonded to a sulfonated fluoropolymer support along with anionic counterions. A positive charge is dispersed in the aforementioned cations which are buried in the support to reduce the cation-anion interactions and increase the mobility of hydroxide ions, for example, across the membrane. The anion exchange membrane has the ability to operate at high temperatures and in highly alkaline environments with high conductivity and low resistance.

  8. Selective retrograde labeling of lateral olivocochlear neurons in the brainstem based on preferential uptake of 3H-D-aspartic acid in the cochlea

    International Nuclear Information System (INIS)

    Ryan, A.F.; Schwartz, I.R.; Helfert, R.H.; Keithley, E.; Wang, Z.X.

    1987-01-01

    We have previously shown that perfusion of the gerbil cochlea with probe concentrations of 3 H-D-aspartic acid (D-ASP) results in immediate, selective labeling of 50-60% of the efferent terminals under the inner hair cells, presumably by high-affinity uptake. The present study was undertaken to determine the origin of these endings. Twenty-four hours after cochlear perfusion with D-ASP, labeled neurons were observed in the ipsilateral, and to a much lesser extent in the contralateral, lateral superior olivary nucleus (LSO). The cells were small, primarily fusiform, and showed fewer synaptic contacts than other LSO cells. Combined transport of D-ASP and horseradish peroxidase indicated that all olivocochlear neurons within the LSO that projected to the injected cochlea were labeled by D-ASP. Labeled fibers coursed dorsally from the LSO, joined contralateral fibers that had passed under the floor of the fourth ventricle, and entered the VIIIth nerve root at its ventromedial edge. Adjacent to the ventral cochlear nucleus (VCN), densely labeled collateral fibers crossed the nerve root to enter the VCN. Labeled fibers and terminals were prominent in the central VCN. Neither retrograde transport of D-ASP by medial olivocochlear and vestibular efferents nor anterograde transport by VIIIth nerve afferents was observed. The D-ASP-labeled cells and fibers are clearly lateral olivocochlear efferents. Retrograde transport of D-ASP thus allows the cells, axons, and collaterals of the lateral olivocochlear system to be studied, morphologically, in isolation from other cells that project to the cochlea. Since the olivocochlear neurons are almost certainly cholinergic, retrograde amino acid transport does not necessarily identify the primary neurotransmitter of a neuron. Rather, it indicates the presence of selective uptake by the processes of that neuron at the site of amino acid injection

  9. Disagreement between theory and experiment grows with increasing rotational excitation of HD(v', j') product for the H + D2 reaction.

    Science.gov (United States)

    Jankunas, Justin; Sneha, Mahima; Zare, Richard N; Bouakline, Foudhil; Althorpe, Stuart C

    2013-03-07

    The Photoloc technique has been employed to measure the state-resolved differential cross sections of the HD(v', j(')) product in the reaction H + D2 over a wide range of collision energies and internal states. The experimental results were compared with fully dimensional, time-dependent quantum mechanical calculations on the refined Boothroyd-Keogh-Martin-Peterson potential energy surface. We find nearly perfect agreement between theory and experiment for HD(v', j(')) product states with low to medium rotational excitation, e.g., HD(v' = 1, j(') = 3) at a collision energy, Ecoll, of 1.72 eV, HD(v' = 1, j(') = 3, 5) at Ecoll = 1.97 eV, and HD(v' = 3, j(') = 3) at Ecoll = 1.97 eV. As the rotational angular momentum, j('), of HD(v', j(')) increases, the agreement between theoretical predictions and experimental measurements worsens but not in a simple fashion. A moderate disagreement between theory and experiment has been found for HD(v' = 0, j(') = 12) at Ecoll = 1.76 eV and increased monotonically for HD(v' = 0, j(') = 13) at Ecoll = 1.74 eV, HD(v' = 0, j(') = 14) at Ecoll = 1.72 eV, and HD(v' = 0, j(') = 15) at Ecoll = 1.70 eV. Disagreement was not limited to vibrationless HD(v', j(')) product states: HD(v' = 1, j(') = 12) at Ecoll = 1.60 eV and HD(v' = 3, j(') = 8, 10) at Ecoll = 1.97 eV followed a similar trend. Theoretical calculations suggest more sideways∕forward scattering than has been observed experimentally for high j(') HD(v', j(')) states. The source of this discrepancy is presently unknown but might be the result of inaccuracy in the potential energy surface.

  10. Data Exchange Inventory System (DEXI)

    Data.gov (United States)

    Social Security Administration — Enterprise tool used to identify data exchanges occurring between SSA and our trading partners. DEXI contains information on both incoming and outgoing exchanges and...

  11. Pion double charge exchange

    International Nuclear Information System (INIS)

    Cooper, M.D.

    1978-01-01

    The pion double charge exchange data on the oxygen isotopes is reviewed and new data on 9 Be, 12 C, 24 Mg, and 28 Si are presented. Where theoretical calculations exist, they are compared to the data. 9 references

  12. Research peer exchange, 2014.

    Science.gov (United States)

    2017-08-01

    The WSDOT Research Peer Exchange was held in Olympia, Washington on May 13 and 14, 2014 and addressed Research Program and Project Management as described in the following paragraphs: Program Management There are numerous funding programs, standing c...

  13. Cation Exchange Water Softeners

    Science.gov (United States)

    WaterSense released a notice of intent to develop a specification for cation exchange water softeners. The program has made the decision not to move forward with a spec at this time, but is making this information available.

  14. Exchange Risk Management Policy

    CERN Document Server

    2005-01-01

    At the Finance Committee of March 2005, following a comment by the CERN Audit Committee, the Chairman invited the Management to prepare a document on exchange risk management policy. The Finance Committee is invited to take note of this document.

  15. HUD Exchange Grantee Database

    Data.gov (United States)

    Department of Housing and Urban Development — The About Grantees section of the HUD Exchange brings up contact information, reports, award, jurisdiction, and location data for organizations that receive HUD...

  16. NASA Earth Exchange (NEX)

    Data.gov (United States)

    National Aeronautics and Space Administration — The NASA Earth Exchange (NEX) represents a new platform for the Earth science community that provides a mechanism for scientific collaboration and knowledge sharing....

  17. Floating Exchange Rate Regime

    OpenAIRE

    Quader, Syed Manzur

    2004-01-01

    In recent years, many developing countries having a history of high inflation, unfavorable balance of payment situation and a high level of foreign currencies denominated debt, have switched or are in the process of switching to a more flexible exchange rate regime. Therefore, the stability of the exchange rate and the dynamics of its volatility are more crucial than before to prevent financial crises and macroeconomic disturbances. This paper is designed to find out the reasons behind Bangla...

  18. Heat exchange apparatus

    International Nuclear Information System (INIS)

    Thurston, G.C.; McDaniels, J.D.; Gertsch, P.R.

    1979-01-01

    The present invention relates to heat exchangers used for transferring heat from the gas cooled core of a nuclear reactor to a secondary medium during standby and emergency conditions. The construction of the heat exchanger described is such that there is a minimum of welds exposed to the reactor coolant, the parasitic heat loss during normal operation of the reactor is minimized and the welds and heat transfer tubes are easily inspectable. (UK)

  19. Hibernation and gas exchange.

    Science.gov (United States)

    Milsom, William K; Jackson, Donald C

    2011-01-01

    Hibernation in endotherms and ectotherms is characterized by an energy-conserving metabolic depression due to low body temperatures and poorly understood temperature-independent mechanisms. Rates of gas exchange are correspondly reduced. In hibernating mammals, ventilation falls even more than metabolic rate leading to a relative respiratory acidosis that may contribute to metabolic depression. Breathing in some mammals becomes episodic and in some small mammals significant apneic gas exchange may occur by passive diffusion via airways or skin. In ectothermic vertebrates, extrapulmonary gas exchange predominates and in reptiles and amphibians hibernating underwater accounts for all gas exchange. In aerated water diffusive exchange permits amphibians and many species of turtles to remain fully aerobic, but hypoxic conditions can challenge many of these animals. Oxygen uptake into blood in both endotherms and ectotherms is enhanced by increased affinity of hemoglobin for O₂ at low temperature. Regulation of gas exchange in hibernating mammals is predominately linked to CO₂/pH, and in episodic breathers, control is principally directed at the duration of the apneic period. Control in submerged hibernating ectotherms is poorly understood, although skin-diffusing capacity may increase under hypoxic conditions. In aerated water blood pH of frogs and turtles either adheres to alphastat regulation (pH ∼8.0) or may even exhibit respiratory alkalosis. Arousal in hibernating mammals leads to restoration of euthermic temperature, metabolic rate, and gas exchange and occurs periodically even as ambient temperatures remain low, whereas body temperature, metabolic rate, and gas exchange of hibernating ectotherms are tightly linked to ambient temperature. © 2011 American Physiological Society.

  20. Real exchange rate misalignments

    OpenAIRE

    Terra, Maria Cristina T.; Valladares, Frederico Estrella Carneiro

    2003-01-01

    This paper characterizes episodes of real appreciations and depreciations for a sample of 85 countries, approximately from 1960 to 1998. First, the equilibrium real exchange rate series are constructed for each country using Goldfajn and Valdes (1999) methodology (cointegration with fundamentals). Then, departures from equilibrium real exchange rate (misalignments) are obtained, and a Markov Switching Model is used to characterize the misalignments series as stochastic autor...

  1. Heat exchanger cleaning

    International Nuclear Information System (INIS)

    Gatewood, J.R.

    1980-01-01

    A survey covers the various types of heat-exchange equipment that is cleaned routinely in fossil-fired generating plants, the hydrocarbon-processing industry, pulp and paper mills, and other industries; the various types, sources, and adverse effects of deposits in heat-exchange equipment; some details of the actual procedures for high-pressure water jetting and chemical cleaning of some specific pieces of equipment, including nuclear steam generators. (DN)

  2. Cryptographic Combinatorial Securities Exchanges

    Science.gov (United States)

    Thorpe, Christopher; Parkes, David C.

    We present a useful new mechanism that facilitates the atomic exchange of many large baskets of securities in a combinatorial exchange. Cryptography prevents information about the securities in the baskets from being exploited, enhancing trust. Our exchange offers institutions who wish to trade large positions a new alternative to existing methods of block trading: they can reduce transaction costs by taking advantage of other institutions’ available liquidity, while third party liquidity providers guarantee execution—preserving their desired portfolio composition at all times. In our exchange, institutions submit encrypted orders which are crossed, leaving a “remainder”. The exchange proves facts about the portfolio risk of this remainder to third party liquidity providers without revealing the securities in the remainder, the knowledge of which could also be exploited. The third parties learn either (depending on the setting) the portfolio risk parameters of the remainder itself, or how their own portfolio risk would change if they were to incorporate the remainder into a portfolio they submit. In one setting, these third parties submit bids on the commission, and the winner supplies necessary liquidity for the entire exchange to clear. This guaranteed clearing, coupled with external price discovery from the primary markets for the securities, sidesteps difficult combinatorial optimization problems. This latter method of proving how taking on the remainder would change risk parameters of one’s own portfolio, without revealing the remainder’s contents or its own risk parameters, is a useful protocol of independent interest.

  3. Radial flow heat exchanger

    Science.gov (United States)

    Valenzuela, Javier

    2001-01-01

    A radial flow heat exchanger (20) having a plurality of first passages (24) for transporting a first fluid (25) and a plurality of second passages (26) for transporting a second fluid (27). The first and second passages are arranged in stacked, alternating relationship, are separated from one another by relatively thin plates (30) and (32), and surround a central axis (22). The thickness of the first and second passages are selected so that the first and second fluids, respectively, are transported with laminar flow through the passages. To enhance thermal energy transfer between first and second passages, the latter are arranged so each first passage is in thermal communication with an associated second passage along substantially its entire length, and vice versa with respect to the second passages. The heat exchangers may be stacked to achieve a modular heat exchange assembly (300). Certain heat exchangers in the assembly may be designed slightly differently than other heat exchangers to address changes in fluid properties during transport through the heat exchanger, so as to enhance overall thermal effectiveness of the assembly.

  4. Back-exchange: a novel approach to quantifying oxygen diffusion and surface exchange in ambient atmospheres.

    Science.gov (United States)

    Cooper, Samuel J; Niania, Mathew; Hoffmann, Franca; Kilner, John A

    2017-05-17

    A novel two-step Isotopic Exchange (IE) technique has been developed to investigate the influence of oxygen containing components of ambient air (such as H 2 O and CO 2 ) on the effective surface exchange coefficient (k*) of a common mixed ionic electronic conductor material. The two step 'back-exchange' technique was used to introduce a tracer diffusion profile, which was subsequently measured using Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The isotopic fraction of oxygen in a dense sample as a function of distance from the surface, before and after the second exchange step, could then be used to determine the surface exchange coefficient in each atmosphere. A new analytical solution was found to the diffusion equation in a semi-infinite domain with a variable surface exchange boundary, for the special case where D* and k* are constant for all exchange steps. This solution validated the results of a numerical, Crank-Nicolson type finite-difference simulation, which was used to extract the parameters from the experimental data. When modelling electrodes, D* and k* are important input parameters, which significantly impact performance. In this study La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF6428) was investigated and it was found that the rate of exchange was increased by around 250% in ambient air compared to high purity oxygen at the same pO 2 . The three experiments performed in this study were used to validate the back-exchange approach and show its utility.

  5. Tensor exchange amplitudes in K +- N charge exchange reactions

    International Nuclear Information System (INIS)

    Svec, M.

    1979-01-01

    Tensor (A 2 ) exchange amplitudes in K +- N charge exchange (CEX) are constructed from the K +- N CEX data supplemented by information on the vector (rho) exchange amplitudes from πN sca tering. We observed new features in the t-structure of A 2 exchange amplitudes which contradict the t-de pendence anticipated by most of the Regge models. The results also provide evidence for violation of weak exchange degeneracy

  6. Isotope exchange reaction on solid breeder materials

    International Nuclear Information System (INIS)

    Baba, A.; Nishikawa, M.; Eguchi, T.; Kawagoe, T.

    2000-01-01

    Lithium ceramic materials such as Li 2 O, LiAlO 2 , Li 2 ZrO 3 , Li 2 TiO 3 and Li 4 SiO 4 are considered to be as candidate for the tritium breeding material in a deuterium-tritium (D-T) fusion reactor. In the recent blanket designs, helium gas with hydrogen or deuterium is planned to be used as the blanket purge gas to reduce tritium inventory and promote tritium release from the breeding material. In addition, the rate of isotope exchange reaction between hydrogen isotopes in the purge gas and tritium on the surface of the breeding material is necessary to analyze the tritium release behavior from the breeding materials. However, the rate of isotope exchange reactions between hydrogen isotopes in the purge gas and tritium on the surface of those materials has not been quantified until recently. Recently, the present authors quantified the rate of isotope exchange reaction on Li 2 O and Li 2 ZrO 3 . The overall mass transfer coefficients representing the isotope exchange reaction between H 2 and D 2 O on breeding materials or the same between D 2 and H 2 O are experimentally obtained in this study. Comparison to isotope exchange reaction rates on various breeding materials is also performed in this study. Discussions about the effects of temperature, concentration of hydrogen in the purge gas or flow rate of the purge gas on the conversion of tritiated water to tritium gas are also performed

  7. Enolate Stabilization by Anion-π Interactions: Deuterium Exchange in Malonate Dilactones on π-Acidic Surfaces.

    Science.gov (United States)

    Miros, François N; Zhao, Yingjie; Sargsyan, Gevorg; Pupier, Marion; Besnard, Céline; Beuchat, César; Mareda, Jiri; Sakai, Naomi; Matile, Stefan

    2016-02-18

    Of central importance in chemistry and biology, enolate chemistry is an attractive topic to elaborate on possible contributions of anion-π interactions to catalysis. To demonstrate the existence of such contributions, experimental evidence for the stabilization of not only anions but also anionic intermediates and transition states on π-acidic aromatic surfaces is decisive. To tackle this challenge for enolate chemistry with maximal precision and minimal uncertainty, malonate dilactones are covalently positioned on the π-acidic surface of naphthalenediimides (NDIs). Their presence is directly visible in the upfield shifts of the α-protons in the (1) H NMR spectra. The reactivity of these protons on π-acidic surfaces is measured by hydrogen-deuterium (H-D) exchange for 11 different examples, excluding controls. The velocity of H-D exchange increases with π acidity (NDI core substituents: SO2 R>SOR>H>OR>OR/NR2 >SR>NR2 ). The H-D exchange kinetics vary with the structure of the enolate (malonates>methylmalonates, dilactones>dithiolactones). Moreover, they depend on the distance to the π surface (bridge length: 11-13 atoms). Most importantly, H-D exchange depends strongly on the chirality of the π surface (chiral sulfoxides as core substituents; the crystal structure of the enantiopure (R,R,P)-macrocycle is reported). For maximal π acidity, transition-state stabilizations up to -18.8 kJ mol(-1) are obtained for H-D exchange. The Brønsted acidity of the enols increases strongly with π acidity of the aromatic surface, the lowest measured pKa =10.9 calculates to a ΔpKa =-5.5. Corresponding to the deprotonation of arginine residues in neutral water, considered as "impossible" in biology, the found enolate-π interactions are very important. The strong dependence of enolate stabilization on the unprecedented seven-component π-acidity gradient over almost 1 eV demonstrates quantitatively that such important anion-π activities can be expected only from

  8. Charge exchange measurements on ISX-A

    International Nuclear Information System (INIS)

    Neilson, G.H.

    1979-04-01

    Apparatus and techniques for charge exchange neutral analysis on the ISX-A (Impurity Study Experiment) tokamak are described. A new neutral analyzer incorporating mass-energy resolution was constructed and calibrated for use on ISX. Data interpretation methods which account for profile effects and neutral attenuation have also been developed and were applied to data from the mass-energy analyzer. Examples of data from ISX-A are presented to illustrate both the use of this new instrument and the applicability of the described interpretation techniques

  9. Mass discrimination

    Energy Technology Data Exchange (ETDEWEB)

    Broeckman, A. [Rijksuniversiteit Utrecht (Netherlands)

    1978-12-15

    In thermal ionization mass spectrometry the phenomenon of mass discrimination has led to the use of a correction factor for isotope ratio-measurements. The correction factor is defined as the measured ratio divided by the true or accepted value of this ratio. In fact this factor corrects for systematic errors of the whole procedure; however mass discrimination is often associated just with the mass spectrometer.

  10. Negative mass

    International Nuclear Information System (INIS)

    Hammond, Richard T

    2015-01-01

    Some physical aspects of negative mass are examined. Several unusual properties, such as the ability of negative mass to penetrate any armor, are analysed. Other surprising effects include the bizarre system of negative mass chasing positive mass, naked singularities and the violation of cosmic censorship, wormholes, and quantum mechanical results as well. In addition, a brief look into the implications for strings is given. (paper)

  11. Setup and proof of principle of SAPIS (Stored Atoms Polarized Ion Source), a novel source of polarized H-/D- ions

    International Nuclear Information System (INIS)

    Emmerich, R.

    2007-01-01

    The objective of this work was the setup and the proof-of-principle of a new type of negative polarized hydrogen or deuterium ion source, which is based on the charge-exchange reaction vectorH 0 +Cs 0 →vectorH - +Cs + , as for instance the Colliding-Beams-Source (CBS) at the Cooler Synchrotron COSY in Juelich. In contrast to the CBS, the use of a storage cell for the charge-exchange region promises an increase in H - current by at least an order of magnitude without considerable polarization losses. For these purposes, a new laboratory was equipped and both a polarized hydrogen/deuterium atomic beam source and an intense neutral cesium-beam source have been build-on. A Lambshift polarimeter, which allows the measurement of the nuclear polarization of the atomic as well as ionic beams, was completed with the construction of a new spin-filter. After commissioning and optimizing each of these sources, a storage cell was developed and installed in the charge-exchange region with a magnetic field. Additionally, components for the extraction, detection and analysis of the negative ion beam were installed. Following the decisive proof of principle, investigation of the properties of the storage cell, especially as to H recombination and depolarisation, was begun. Furthermore, a number of software programs was developed for the control and monitoring of different components of the sources as well as a universal measuring software for the complete installation, including the measurement and calculation of the beam polarization. At the same time, the remote control system of the Cologne source of polarized ions LASCO at the FN tandem accelerator was completely modernized. (orig.)

  12. Long-Term Precipitation Isotope Ratios (δ18O, δ2H, d-excess) in the Northeast US Reflect Atlantic Ocean Warming and Shifts in Moisture Sources

    Science.gov (United States)

    Puntsag, T.; Welker, J. M.; Mitchell, M. J.; Klein, E. S.; Campbell, J. L.; Likens, G.

    2014-12-01

    The global water cycle is exhibiting dramatic changes as global temperatures increase resulting in increases in: drought extremes, flooding, alterations in storm track patterns with protracted winter storms, and greater precipitation variability. The mechanisms driving these changes can be difficult to assess, but the spatial and temporal patterns of precipitation water isotopes (δ18O, δ2H, d-excess) provide a means to help understand these water cycle changes. However, extended temporal records of isotope ratios in precipitation are infrequent, especially in the US. In our study we analyzed precipitation isotope ratio data from the Hubbard Brook Experimental Forest in New Hampshire that has the longest US precipitation isotope record, to determine: 1) the monthly composited averages and trends from 1967 to 2012 (45 years); ; 2) the relationships between abiotic properties such as local temperatures, precipitation type, storm tracks and isotope ratio changes; and 3) the influence of regional shifts in moisture sources and/or changes in N Atlantic Ocean water conditions on isotope values. The seasonal variability of Hubbard Brook precipitation isotope ratios is consistent with other studies, as average δ18O values are ~ -15‰ in January and ~ -5 ‰ in July. However, over the 45 year record there is a depletion trend in the δ 18O values (becoming isotopically lighter with a greater proportion of 16O), which coupled with less change in δ 2H leads to increases in d-excess values from ~ -10‰ around 1970 to greater than 10‰ in 2009. These changes occurred during a period of warming as opposed to cooling local temperatures indicating other processes besides temperature are controlling long-term water isotope traits in this region. We have evidence that these changes in precipitation isotope traits are controlled in large part by an increases in moisture being sourced from a warming N Atlantic Ocean that is providing evaporated, isotopically

  13. Exchanging Description Logic Knowledge Bases

    NARCIS (Netherlands)

    Arenas, M.; Botoeva, E.; Calvanese, D.; Ryzhikov, V.; Sherkhonov, E.

    2012-01-01

    In this paper, we study the problem of exchanging knowledge between a source and a target knowledge base (KB), connected through mappings. Differently from the traditional database exchange setting, which considers only the exchange of data, we are interested in exchanging implicit knowledge. As

  14. Social dilemmas as exchange dilemmas

    NARCIS (Netherlands)

    Dijkstra, Jacob; van Assen, Marcel A.L.M.

    2016-01-01

    We develop a new paradigm to study social dilemmas, called exchange dilemmas. Exchange dilemmas arise from externalities of exchanges with third parties, and many real-life social dilemmas are more accurately modeled as exchange dilemmas rather than prisoner's dilemmas. Building on focusing and

  15. Social dilemmas as exchange dilemmas

    NARCIS (Netherlands)

    Dijkstra, J.; van Assen, M.A.L.M.

    2016-01-01

    We develop a new paradigm to study social dilemmas, called exchange dilemmas. Exchange dilemmas arise from externalities of exchanges with third parties, and many real-life social dilemmas are more accurately modeled as exchange dilemmas rather than prisoner's dilemmas. Bulding on focusing and

  16. Multicomponent liquid ion exchange with chabazite zeolites

    International Nuclear Information System (INIS)

    Robinson, S.M.; Arnold, W.D. Jr.; Byers, C.W.

    1993-10-01

    In spite of the increasing commercial use of zeolites for binary and multicomponent sorption, the understanding of the basic mass-transfer processes associated with multicomponent zeolite ion-exchange systems is quite limited. This study was undertaken to evaluate Na-Ca-Mg-Cs-Sr ion exchange from an aqueous solution using a chabazite zeolite. Mass-transfer coefficients and equilibrium equations were determined from experimental batch-reactor data for single and multicomponent systems. The Langmuir isotherm was used to represent the equilibrium relationship for binary systems, and a modified Dubinin-Polyani model was used for the multicomponent systems. The experimental data indicate that diffusion through the microporous zeolite crystals is the primary diffusional resistance. Macropore diffusion also significantly contributes to the mass-transfer resistance. Various mass-transfer models were compared to the experimental data to determine mass-transfer coefficients. Effective diffusivities were obtained which accurately predicted experimental data using a variety of models. Only the model which accounts for micropore and macropore diffusion occurring in series accurately predicted multicomponent data using single-component diffusivities. Liquid and surface diffusion both contribute to macropore diffusion. Surface and micropore diffusivities were determined to be concentration dependent

  17. Thermoneutral isotope exchange reactions of cations in the gas phase

    International Nuclear Information System (INIS)

    Ausloos, P.; Lias, S.G.

    1981-01-01

    Rate constants have been measured for reactions of the type AD 2 + + MH → MD + ADH + , where AD 2 + is CD 3 CND + , CD 3 CDOD + , (CD 3 COCD 3 )D + , or (C 2 D 5 ) 2 OD + and the MH molecules are alcohols, acids, mercaptans, H 2 S, AsH 3 , PH 3 , or aromatic molecules. Rate constants are also presented for the reactions Ar/sub H/D + + D 2 O → Ar/sub d/D + + HDO, where Ar/sub H/D + is a deuteronated aromatic molecule and Ar/sub D/D + is the same species with a D atom incorporated on the ring. In all but two cases, the competing deuteron transfer is sufficiently endothermic that it cannot be observed under the conditions of the ICR experiments at 320 to 420 K. The efficiencies of the isotope exchange reactions are interpreted in terms of estimated potential surface cross sections for the reactions AD 2 + + MH → [AD 2 + MH] → [ADMHD + ] → [ADH + MD] → ADH + + MD. When the formation of the [ADMHD + ] complex is estimated to be thermoneutral or slightly endothermic, the isotope exchange process is inefficient (probability of a reactive collision 2 + MH] → [ADMHD + ] is exothermic. For most of the systems, trends in reaction efficiency appear to be related to factors such as dipole moments of reactant species (or for aromatic compounds, the electron-donating or -withdrawing properties of ring substituents) which influence the relative orientation of the two reactant species in the complex

  18. Nominal Mass?

    Science.gov (United States)

    Attygalle, Athula B; Pavlov, Julius

    2017-08-01

    The current IUPAC-recommended definition of the term "nominal mass," based on the most abundant naturally occurring stable isotope of an element, is flawed. We propose that Nominal mass should be defined as the sum of integer masses of protons and neutrons in any chemical species. In this way, all isotopes and isotopologues can be assigned a definitive identifier. Graphical Abstract ᅟ.

  19. Heat exchanger restart evaluation

    International Nuclear Information System (INIS)

    Morrison, J.M.; Hirst, C.W.; Lentz, T.F.

    1992-01-01

    On December 24, 1991, the K-Reactor was in the shutdown mode with full AC process water flow and full cooling water flow. Safety rod testing was being performed as part of the power ascension testing program. The results of cooling water samples indicated tritium concentrations higher than allowable. Further sampling and testing confirmed a Process Water System to Cooling Water System leak in heat exchanger 4A (HX 4A). The heat exchanger was isolated and the plant shutdown. Heat exchanger 4A was removed from the plant and moved to C-Area prior to performing examinations and diagnostic testing. This included locating and identifying the leaking tube or tubes, eddy current examination of the leaking tube and a number of adjacent tubes, visually inspecting the leaking tube from both the inside as well as the area surrounding the identified tube. The leaking tube was removed and examined metallurgically to determine the failure mechanism. In addition ten other tubes that either exhibited eddy current indications or would represent a baseline condition were removed from heat exchanger 4A for metallurgical examination. Additional analysis and review of heat exchanger leakage history was performed to determine if there are any patterns which can be used for predictive purposes. Compensatory actions have been taken to improve the sensitivity and response time to any future events of this type. The results of these actions are summary herein

  20. Heat exchanger restart evaluation

    International Nuclear Information System (INIS)

    Morrison, J.M.; Hirst, C.W.; Lentz, T.F.

    1992-01-01

    On December 24, 1991, the K-Reactor was in the shutdown mode with full AC process water flow and full cooling water flow. Safety rod testing was being performed as part of the power ascension testing program. The results of cooling water samples indicated tritium concentrations higher than allowable. Further sampling and testing confirmed a Process Water System to Cooling Water System leak in heat exchanger 4A (HX 4A). The heat exchanger was isolated and the plant shutdown. Heat exchanger 4kA was removed from the plant and moved to C-Area prior to performing examinations and diagnostic testing. This included locating and identifying the leaking tube or tubes, eddy current examination of the leaking tube and a number of adjacent tubes, visually inspecting the leaking tube from both the inside as well as the area surrounding the failure mechanism. In addition ten other tubes that either exhibited eddy current indications or would represent a baseline condition were removed from heat exchanger 4A for metallurgical examination. Additional analysis and review of heat exchanger leakage history was performed to determine if there are any patterns which can be used for predictive purposes. Compensatory actions have been taken to improve the sensitivity and response time to any future events of this type. The results of these actions are summarized herein

  1. Heat exchanger restart evaluation

    International Nuclear Information System (INIS)

    Morrison, J.M.; Hirst, C.W.; Lentz, T.F.

    1992-01-01

    On December 24, 1991, the K-Reactor was in the shutdown mode with full AC process water flow and full cooling water flow. Safety rod testing was being performed as part of the power ascension testing program. The results of cooling water samples indicated tritium concentrations higher than allowable. Further sampling and testing confirmed a Process Water System to Cooling Water System leak in heat exchanger 4A (HX 4A). The heat exchanger was isolated and the plant shutdown. Heat exchanger 4A was removed from the plant and moved to C-Area prior to performing examinations and diagnostic testing. This included locating and identifying the leaking tube or tubes, eddy current examination of the leaking tube and a number of adjacent tubes, visually inspecting the leaking tube from both the inside as well as the area surrounding the identified tube. The leaking tube was removed and examined metallurgically to determine the failure mechanism. In addition ten other tubes that either exhibited eddy current indications or would represent a baseline condition were removed from heat exchanger 4A for metallurgical examination. Additional analysis and review of heat exchanger leakage history was performed to determine if there are any patterns which can be used for predictive purposes. Compensatory actions have been taken to improve the sensitivity and response time to any future events of this type. The results of these actions are summarized

  2. Isotopic exchange processes in cold plasmas of H2/D2 mixtures.

    Science.gov (United States)

    Jiménez-Redondo, Miguel; Carrasco, Esther; Herrero, Víctor J; Tanarro, Isabel

    2011-05-28

    monoatomic ions H(+) and D(+), even at room temperature. The final H(+)/D(+) ratio is determined to a great extent by proton (and deuteron) exchange, which favours the enhancement of H(+) and the concomitant decrease of D(+). This journal is © the Owner Societies 2011

  3. Application of metal foam heat exchangers for a high-performance liquefied natural gas regasification system

    International Nuclear Information System (INIS)

    Kim, Dae Yeon; Sung, Tae Hong; Kim, Kyung Chun

    2016-01-01

    The intermediate fluid vaporizer has wide applications in the regasification of LNG (liquefied natural gas). The heat exchanger performance is one of the main contributors to the thermodynamic and cost effectiveness of the entire LNG regasification system. Within the paper, the authors discuss a new concept for a compact heat exchanger with a micro-cellular structure medium to minimize volume and mass and to increase thermal efficiency. Numerical calculations have been conducted to design a metal-foam filled plate heat exchanger and a shell-and-tube heat exchanger using published experimental correlations. The geometry of both heat exchangers was optimized using the conditions of thermolators in LNG regasification systems. The heat transfer and pressure drop performance was predicted to compare the heat exchangers. The results show that the metal-foam plate heat exchanger has the best performance at different channel heights and mass flow rates of fluid. In the optimized configurations, the metal-foam plate heat exchanger has a higher heat transfer rate and lower pressure drop than the shell-and-tube heat exchanger as the mass flow rate of natural gas is increased. - Highlights: • A metal foam heat exchanger is proposed for LNG regasification system. • Comparison was made with a shell and tube heat exchanger. • Heat transfer and pressure drop characteristics were estimated. • The geometry of both heat exchangers is optimized for thermolators. • It can be used as a compact and high performance thermolators.

  4. Ultrafast hydrogen exchange reveals specific structural events during the initial stages of folding of cytochrome c.

    Science.gov (United States)

    Fazelinia, Hossein; Xu, Ming; Cheng, Hong; Roder, Heinrich

    2014-01-15

    Many proteins undergo a sharp decrease in chain dimensions during early stages of folding, prior to the rate-limiting step in folding. However, it remains unclear whether compact states are the result of specific folding events or a general hydrophobic collapse of the poly peptide chain driven by the change in solvent conditions. To address this fundamental question, we extended the temporal resolution of NMR-detected H/D exchange labeling experiments into the microsecond regime by adopting a microfluidics approach. By observing the competition between H/D exchange and folding as a function of labeling pH, coupled with direct measurement of exchange rates in the unfolded state, we were able to monitor hydrogen-bond formation for over 50 individual backbone NH groups within the initial 140 microseconds of folding of horse cytochrome c. Clusters of solvent-shielded amide protons were observed in two α-helical segments in the C-terminal half of the protein, while the N-terminal helix remained largely unstructured, suggesting that proximity in the primary structure is a major factor in promoting helix formation and association at early stages of folding, while the entropically more costly long-range contacts between the N- and C-terminal helices are established only during later stages. Our findings clearly indicate that the initial chain condensation in cytochrome c is driven by specific interactions among a subset of α-helical segments rather than a general hydrophobic collapse.

  5. Update heat exchanger designing principles

    International Nuclear Information System (INIS)

    Lipets, A.U.; Yampol'skij, A.E.

    1985-01-01

    Update heat exchanger design principles are analysed. Different coolant pattern in a heat exchanger are considered. It is suggested to rationally organize flow rates irregularity in it. Applying on heat exchanger designing measures on using really existing temperature and flow rate irregularities will permit to improve heat exchanger efficiency. It is expedient in some cases to artificially produce irregularities. In this connection some heat exchanger design principles must be reviewed now

  6. Social dilemmas as exchange dilemmas

    OpenAIRE

    Dijkstra, J.; van Assen, M.A.L.M.

    2016-01-01

    We develop a new paradigm to study social dilemmas, called exchange dilemmas. Exchange dilemmas arise from externalities of exchanges with third parties, and many real-life social dilemmas are more accurately modeled as exchange dilemmas rather than prisoner's dilemmas. Bulding on focusing and framing research we predict that defection is omnipresent in exchange dilemmas, which is corroborated in to very different experiments. Our results suggest that the fundamental problem of cooperation in...

  7. Ion exchange phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Bourg, I.C.; Sposito, G.

    2011-05-01

    Ion exchange phenomena involve the population of readily exchangeable ions, the subset of adsorbed solutes that balance the intrinsic surface charge and can be readily replaced by major background electrolyte ions (Sposito, 2008). These phenomena have occupied a central place in soil chemistry research since Way (1850) first showed that potassium uptake by soils resulted in the release of an equal quantity of moles of charge of calcium and magnesium. Ion exchange phenomena are now routinely modeled in studies of soil formation (White et al., 2005), soil reclamation (Kopittke et al., 2006), soil fertilitization (Agbenin and Yakubu, 2006), colloidal dispersion/flocculation (Charlet and Tournassat, 2005), the mechanics of argillaceous media (Gajo and Loret, 2007), aquitard pore water chemistry (Tournassat et al., 2008), and groundwater (Timms and Hendry, 2007; McNab et al., 2009) and contaminant hydrology (Chatterjee et al., 2008; van Oploo et al., 2008; Serrano et al., 2009).

  8. Sorption by cation exchange

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Baeyens, B.

    1994-04-01

    A procedure for introducing exchange into geochemical/surface complexation codes is described. Beginning with selectivity coefficients, K c , defined in terms of equivalent fractional ion occupancies, a general expression for the molar based exchange code input parameters, K ex , is derived. In natural systems the uptake of nuclides onto complex sorbents often occurs by more than one mechanism. The incorporation of cation exchange and surface complexation into a geochemical code therefore enables sorption by both mechanisms to be calculated simultaneously. The code and model concepts are tested against sets of experimental data from widely different sorption studies. A proposal is made to set up a data base of selectivity coefficients. Such a data base would form part of a more general one consisting of sorption mechanism specific parameters to be used in conjunction with geochemical/sorption codes to model and predict sorption. (author) 6 figs., 6 tabs., 26 refs

  9. Tubular heat exchanger

    International Nuclear Information System (INIS)

    Hayden, Owen; Willby, C.R.

    1976-01-01

    The invention concerns a heat exchanger of which the tubes, placed in a long casing, cross the casing cover in a sealed manner. These tubes are fixed to the tube plate forming this cover or to the branch tubes it comprises by means of compression joints. These joints make it possible to do away with welds that are sources of defects and to improve the operational safety of the apparatus. An advantageous form of the heat exchanger under the invention includes a manifold for each thermal exchange fluid, and one end of each tube is connected to this manifold by a pipe that is itself connected to the tube by a threaded connection. The latter provides for easy disconnection of the pipe in order to introduce a probe for inspecting the state of the tubes [fr

  10. Classification of exchange currents

    International Nuclear Information System (INIS)

    Friar, J.L.

    1983-01-01

    After expansion of the vector and axial vector currents in powers of (v/c), a heretofore unremarked regularity results. Meson exchange currents can be classified into types I and II, according to the way they satisfy the constraints of special relativity. The archetypes of these two categories are the impulse approximation to the vector and axial vector currents. After a brief discussion of these constraints, the (rhoπγ) and (ωsigmaγ) exchange currents are constructed and classified, and used to illustrate a number of important points which are often overlooked

  11. Alert Exchange Process Protocol

    Science.gov (United States)

    Groen, Frank

    2015-01-01

    The National Aeronautics and Space Administration of the United States of America (NASA), and the European Space Agency (ESA), and the Japanese Aerospace Exploration Agency (JAXA), acknowledging that NASA, ESA and JAXA have a mutual interest in exchanging Alerts and Alert Status Lists to enhance the information base for each system participant while fortifying the general level of cooperation between the policy agreement subscribers, and each Party will exchange Alert listings on regular basis and detailed Alert information on a need to know basis to the extent permitted by law.

  12. Lipid exchange by ultracentrifugation

    DEFF Research Database (Denmark)

    Drachmann, Nikolaj Düring; Olesen, Claus

    2014-01-01

    , and the complex interplay between the lipids and the P-type ATPases are still not well understood. We here describe a robust method to exchange the majority of the lipids surrounding the ATPase after solubilisation and/or purification with a target lipid of interest. The method is based on an ultracentrifugation...... step, where the protein sample is spun through a dense buffer containing large excess of the target lipid, which results in an approximately 80-85 % lipid exchange. The method is a very gently technique that maintains protein folding during the process, hence allowing further characterization...

  13. Microscale Regenerative Heat Exchanger

    Science.gov (United States)

    Moran, Matthew E.; Stelter, Stephan; Stelter, Manfred

    2006-01-01

    The device described herein is designed primarily for use as a regenerative heat exchanger in a miniature Stirling engine or Stirling-cycle heat pump. A regenerative heat exchanger (sometimes called, simply, a "regenerator" in the Stirling-engine art) is basically a thermal capacitor: Its role in the Stirling cycle is to alternately accept heat from, then deliver heat to, an oscillating flow of a working fluid between compression and expansion volumes, without introducing an excessive pressure drop. These volumes are at different temperatures, and conduction of heat between these volumes is undesirable because it reduces the energy-conversion efficiency of the Stirling cycle.

  14. Small Column Ion Exchange

    International Nuclear Information System (INIS)

    Huff, Thomas

    2010-01-01

    Small Column Ion Exchange (SCIX) leverages a suite of technologies developed by DOE across the complex to achieve lifecycle savings. Technologies are applicable to multiple sites. Early testing supported multiple sites. Balance of SRS SCIX testing supports SRS deployment. A forma Systems Engineering Evaluation (SEE) was performed and selected Small Column Ion Exchange columns containing Crystalline Silicotitanate (CST) in a 2-column lead/lag configuration. SEE considered use of Spherical Resorcinol-Formaldehyde (sRF). Advantages of approach at SRS include: (1) no new buildings, (2) low volume of Cs waste in solid form compared to aqueous strip effluent; and availability of downstream processing facilities for immediate processing of spent resin.

  15. Kinetic theory of oxygen isotopic exchange between minerals and water

    Science.gov (United States)

    Criss, R.E.; Gregory, R.T.; Taylor, H.P.

    1987-01-01

    Kinetic and mass conservation equations are used to describe oxygen isotopic exchange between minerals and water in "closed" and open hydrothermal systems. In cases where n coexisting mineral phases having different reaction rates are present, the exchange process is described by a system of n + 1 simultaneous differential equations consisting of n pseudo first-order rate equations and a conservation of mass equation. The simultaneous solutions to these equations generate curved exchange trajectories on ??-?? plots. Families of such trajectories generated under conditions allowing for different fluid mole fractions, different fluid isotopic compositions, or different fluid flow rates are connected by positive-sloped isochronous lines. These isochrons reproduce the effects observed in hydrothermally exchanged mineral pairs including 1) steep positive slopes, 2) common reversals in the measured fractionation factors (??), and 3) measured fractionations that are highly variable over short distances where no thermal gradient can be geologically demonstrated. ?? 1987.

  16. Different populations of parvalbumin- and calbindin-D28k-immunoreactive neurons contain GABA and accumulate 3H-D-aspartate in the dorsal horn of the rat spinal cord.

    Science.gov (United States)

    Antal, M; Polgár, E; Chalmers, J; Minson, J B; Llewellyn-Smith, I; Heizmann, C W; Somogyi, P

    1991-12-01

    The colocalization of parvalbumin (PV), calbindin-D28k (CaBP), GABA immunoreactivities, and the ability to accumulate 3H-D-aspartate selectively were investigated in neurons of laminae I-IV of the dorsal horn of the rat spinal cord. Following injection of 3H-D-aspartate into the basal dorsal horn (laminae IV-VI), perikarya selectively accumulating 3H-D-aspartate were detected in araldite embedded semithin sections by autoradiography, and consecutive semithin sections were treated to reveal PV, CaBP and GABA by postembedding immunocytochemistry. Perikarya accumulating 3H-D-aspartate were found exclusively in laminae I-III, and no labelled somata were found in deeper layers or in the intermediolateral column although the labelled amino acid clearly spread to these regions. More than half of the labelled cells were localized in lamina II. In this layer, 16.4% of 3H-D-aspartate-labelled perikarya were also stained for CaBP. In contrast to CaBP, PV or GABA was never detected in neurons accumulating 3H-D-aspartate. A high proportion of PV-immunoreactive perikarya were also stained for GABA in laminae II and III (70.0% and 61.2% respectively). However, the majority of CaBP-immunoreactive perikarya were GABA-negative. GABA-immunoreactivity was found in less than 2% of the total population of cells stained for CaBP in laminae I-IV. A significant proportion of the GABA-negative but PV-immunoreactive neurons also showed CaBP-immunoreactivity in laminae II and IV. These results show that out of the two calcium-binding proteins, CaBP is a characteristic protein of a small subpopulation of neurons using excitatory amino acids and PV is a characteristic protein of a subpopulation of neurons utilizing GABA as a transmitter. However, both proteins are present in additional subgroups of neurons, and neuronal populations using inhibitory or excitatory amino acid transmitters are heterogeneous with regard to their content of calcium-binding proteins in the dorsal horn of the rat

  17. Probing color-singlet exchange at D0

    International Nuclear Information System (INIS)

    Abbott, B.; Abolins, M.; Acharya, B.S.

    1997-07-01

    We present latest preliminary results on hard color-singlet exchange in proton-antiproton collisions. The fraction of dijet events produced via color-singlet exchange is measured as a function of jet transverse energy, dijet pseudorapidity separation, and proton-antiproton center-of-mass energy. These results are qualitatively consistent with a color-singlet fraction that increases with increasing quark-initiated processes

  18. Intensification of Evaporation and Condensation Processes in Heat Exchange Apparatus

    Directory of Open Access Journals (Sweden)

    L. L. Vasiliev

    2005-01-01

    Full Text Available The paper describes proposed design solutions for an intensification of heat transfer in evaporation and condensation heat exchangers. Complex experimental research of heat and mass transfer processes in flat and round cross-section miniature heat pipes is carried out. Optimization, development, manufacturing and an experimental investigation of copper miniature heat pipes with sintered powder are executed. Investigation results of capillary-porous structure properties that are used in evaporation and condensation heat-exchange apparatus are presented.

  19. Innovative heat exchangers

    CERN Document Server

    Scholl, Stephan

    2018-01-01

    This accessible book presents unconventional technologies in heat exchanger design that have the capacity to provide solutions to major concerns within the process and power-generating industries. Demonstrating the advantages and limits of these innovative heat exchangers, it also discusses micro- and nanostructure surfaces and micro-scale equipment, and introduces pillow-plate, helical and expanded metal baffle concepts. It offers step-by-step worked examples, which provide instructions for developing an initial configuration and are supported by clear, detailed drawings and pictures. Various types of heat exchangers are available, and they are widely used in all fields of industry for cooling or heating purposes, including in combustion engines. The market in 2012 was estimated to be U$ 42.7 billion and the global demand for heat exchangers is experiencing an annual growth of about 7.8 %. The market value is expected to reach U$ 57.9 billion in 2016, and approach U$ 78.16 billion in 2020. Providing a valua...

  20. Organizing Equity Exchanges

    Science.gov (United States)

    Schaper, Torsten

    In the last years equity exchanges have diversified their operations into business areas such as derivatives trading, post-trading services, and software sales. Securities trading and post-trading are subject to economies of scale and scope. The integration of these functions into one institution ensures efficiency by economizing on transactions costs.

  1. Resonance charge exchange processes

    International Nuclear Information System (INIS)

    Duman, E.L.; Evseev, A.V.; Eletskij, A.V.; Radtsig, A.A.; Smirnov, B.M.

    1979-01-01

    The calculation results for the resonance charge exchange cross sections for positive and negative atomic and molecular ions are given. The calculations are performed on the basis of the asymptotic theory. The factors affecting the calculation accuracy are analysed. The calculation data for 28 systems are compared with the experiment

  2. Chapter 11. Heat Exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Rafferty, Kevin D.; Culver, Gene

    1998-01-01

    Most geothermal fluids, because of their elevated temperature, contain a variety of dissolved chemicals. These chemicals are frequently corrosive toward standard materials of construction. As a result, it is advisable in most cases to isolate the geothermal fluid from the process to which heat is being transferred. The task of heat transfer from the geothermal fluid to a closed process loop is most often handled by a plate heat exchanger. The two most common types used in geothermal applications are: bolted and brazed. For smaller systems, in geothermal resource areas of a specific character, downhole heat exchangers (DHEs) provide a unique means of heat extraction. These devices eliminate the requirement for physical removal of fluid from the well. For this reason, DHE-based systems avoid entirely the environmental and practical problems associated with fluid disposal. Shell and tube heat exchangers play only a minor role in low-temperature, direct-use systems. These units have been in common use in industrial applications for many years and, as a result, are well understood. For these reasons, shell and tube heat exchangers will not be covered in this chapter.

  3. Basic Exchange Rate Theories

    NARCIS (Netherlands)

    J.G.M. van Marrewijk (Charles)

    2005-01-01

    textabstractThis four-chapter overview of basic exchange rate theories discusses (i) the elasticity and absorption approach, (ii) the (long-run) implications of the monetary approach, (iii) the short-run effects of monetary and fiscal policy under various economic conditions, and (iv) the transition

  4. Method for exchanging data

    NARCIS (Netherlands)

    2014-01-01

    The present invention relates to a method for exchanging data between at least two servers with use of a gateway. Preferably the method is applied to healthcare systems. Each server holds a unique federated identifier, which identifier identifies a single patient (P). Thus, it is possible for the

  5. Baltic Exchange toodi Tallinna

    Index Scriptorium Estoniae

    2007-01-01

    Viimane osa merekonteineritesse kokkupakitud Londoni laevandus- ja merebörsi Baltic Exchange'i endise peakorteri detailidest jõudis 2007. a. juunis Tallinna. Hoone detailid ostnud ärimehed Heiti Hääl ja Eerik-Niiles Kross plaanivad leida hoonele koha Tallinna kesklinnas. E.-N. Krossi kommentaar

  6. Exchangers man the pumps

    Science.gov (United States)

    Barkla, Bronwyn J; Hirschi, Kendal D

    2008-01-01

    Tonoplast-localised proton-coupled Ca2+ transporters encoded by cation/H+ exchanger (CAX) genes play a critical role in sequestering Ca2+ into the vacuole. These transporters may function in coordination with Ca2+ release channels, to shape stimulus-induced cytosolic Ca2+ elevations. Recent analysis of Arabidopsis CAX knockout mutants, particularly cax1 and cax3, identified a variety of phenotypes including sensitivity to abiotic stresses, which indicated that these transporters might play a role in mediating the plant's stress response. A common feature of these mutants was the perturbation of H+-ATPase activity at both the tonoplast and the plasma membrane, suggesting a tight interplay between the Ca2+/H+ exchangers and H+ pumps. We speculate that indirect regulation of proton flux by the exchangers may be as important as the direct regulation of Ca2+ flux. These results suggest cautious interpretation of mutant Ca2+/H+ exchanger phenotypes that may be due to either perturbed Ca2+ or H+ transport. PMID:19841670

  7. Telephone Exchange Maintenance

    CERN Multimedia

    2005-01-01

    Urgent maintenance work on CERN telephone exchanges will be performed on 24 March from 6 a.m. to 8 a.m. Telephone services may be disrupted or even interrupted during this time. For more details, please contact us by email at Standard.Telephone@cern.ch.

  8. Heat exchanger vibration

    International Nuclear Information System (INIS)

    Richards, D.J.W.

    1977-01-01

    The heat exchangers of various types are common items of plant in the generation and transmission of electricity. The amount of attention given to the flow-induced vibrations of heat exchangers by designers is usually related to the operational history of similar items of plant. Consequently, if a particular design procedure yields items of plant which behave in a satisfactory manner during their operational life, there is little incentive to improve or refine the design procedure. On the other hand, failures of heat exchangers clearly indicate deficiencies in the design procedures or in the data available to the designer. When such failures are attributable to flow-induced vibrations, the identification of the mechanisms involved is a prime importance. Ideally, basic research work provides the background understanding and the techniques necessary to be able to identify the important mechanisms. In practice, the investigation of a flow-induced vibration problem may identify the presence of mechanisms but may not be able to quantify their effects adequately. In these circumstances the need for additional work is established and the objectives of the research programme emerge. The purpose of this paper is to outline the background to the current research programme at C.E.R.L. on heat exchanger vibration

  9. Application of ion exchangers

    International Nuclear Information System (INIS)

    Markhol, M.

    1985-01-01

    Existing methods of multi-element separation for radiochemical analysis are considered. The majority of existing methods is noted to be based on application of organic and inorganic ion exchangers. Distillation, coprecipitation, extraction as well as combination of the above methods are also used. Concrete flowsheets of multi-element separation are presented

  10. Fuel exchanger control device

    International Nuclear Information System (INIS)

    Kurabayashi, Masaharu.

    1985-01-01

    Purpose: To improve the stability and the operationability of the fuel exchanging work by checking the validity of the data before the initiation of the work. Constitution: A floppy disc stores the initial charging state data showing the arrangement of fuel assemblies in the reactor core pool, data showing the working procedures for the fuel exchange and a final charged state data upon completion of the work. The initial data and the procedure data are read from the disk and stored once into a memory. Then, the initial data are sequentially performed on the memory in accordance with the procedure data and, thereafter, they were compared with the final data read from the disk. After confirming that there are no errors in the working data, the procedure data are orderly instructed to the fuel exchanger for performing fuel replacement. Accordingly, since the data are checked before the initiation of the work, the fuel exchange can be performed automatically thereby improving the operationability thereof. (Yoshino, Y.)

  11. Upright heat exchanger

    International Nuclear Information System (INIS)

    Martoch, J.; Kugler, V.; Krizek, V.; Strmiska, F.

    1988-01-01

    The claimed heat exchanger is characteristic by the condensate level being maintained directly in the exchanger while preserving the so-called ''dry'' tube plate. This makes it unnecessary to build another pressure vessel into the circuit. The design of the heat exchanger allows access to both tube plates, which facilitates any repair. Another advantage is the possibility of accelerating the indication of leakage from the space of the second operating medium which is given by opening the drainage pipes of the lower bundle into the collar space and from there through to the indication pipe. The exchanger is especially suitable for deployment in the circuits of nuclear power plants where the second operating medium will be hot water of considerably lower purity than is that of the condensate. A rapid display of leakage can prevent any long-term penetration of this water into the condensate, which would result in worsening water quality in the entire secondary circuit of the nuclear power plant. (J.B.). 1 fig

  12. Heat exchanger vibration

    Energy Technology Data Exchange (ETDEWEB)

    Richards, D J.W. [CERL, CEGB, Leatherhead, Surrey (United Kingdom)

    1977-12-01

    The heat exchangers of various types are common items of plant in the generation and transmission of electricity. The amount of attention given to the flow-induced vibrations of heat exchangers by designers is usually related to the operational history of similar items of plant. Consequently, if a particular design procedure yields items of plant which behave in a satisfactory manner during their operational life, there is little incentive to improve or refine the design procedure. On the other hand, failures of heat exchangers clearly indicate deficiencies in the design procedures or in the data available to the designer. When such failures are attributable to flow-induced vibrations, the identification of the mechanisms involved is a prime importance. Ideally, basic research work provides the background understanding and the techniques necessary to be able to identify the important mechanisms. In practice, the investigation of a flow-induced vibration problem may identify the presence of mechanisms but may not be able to quantify their effects adequately. In these circumstances the need for additional work is established and the objectives of the research programme emerge. The purpose of this paper is to outline the background to the current research programme at C.E.R.L. on heat exchanger vibration.

  13. Numerical study of heat transfer characteristics in BOG heat exchanger

    Science.gov (United States)

    Yan, Yan; Pfotenhauer, John M.; Miller, Franklin; Ni, Zhonghua; Zhi, Xiaoqin

    2016-12-01

    In this study, a numerical study of turbulent flow and the heat transfer process in a boil-off liquefied natural gas (BOG) heat exchanger was performed. Finite volume computational fluid dynamics and the k - ω based shear stress transport model were applied to simulate thermal flow of BOG and ethylene glycol in a full-sized 3D tubular heat exchanger. The simulation model has been validated and compared with the engineering specification data from its supplier. In order to investigate thermal characteristics of the heat exchanger, velocity, temperature, heat flux and thermal response were studied under different mass flowrates in the shell-side. The shell-side flow pattern is mostly determined by viscous forces, which lead to a small velocity and low temperature buffer area in the bottom-right corner of the heat exchanger. Changing the shell-side mass flowrate could result in different distributions of the shell-side flow. However, the distribution in the BOG will remain in a relatively stable pattern. Heat flux increases along with the shell-side mass flowrate, but the increase is not linear. The ratio of increased heat flux to the mass flow interval is superior at lower mass flow conditions, and the threshold mass flow for stable working conditions is defined as greater than 0.41 kg/s.

  14. NEUTRINO MASS

    OpenAIRE

    Kayser, Boris

    1988-01-01

    This is a review article about the most recent developments on the field of neutrino mass. The first part of the review introduces the idea of neutrino masses and mixing angles, summarizes the most recent experimental data then discusses the experimental prospects and challenges in this area. The second part of the review discusses the implications of these results for particle physics and cosmology, including the origin of neutrino mass, the see-saw mechanism and sequential dominance, and la...

  15. Neutrino mass

    International Nuclear Information System (INIS)

    Robertson, R.G.H.

    1992-01-01

    Despite intensive experimental work since the neutrino's existence was proposed by Pauli 60 years ago, and its first observation by Reines and Cowan almost 40 years ago, the neutrino's fundamental properties remain elusive. Among those properties are the masses of the three known flavors, properties under charge conjugation, parity and time-reversal, and static and dynamic electromagnetic moments. Mass is perhaps the most fundamental, as it constrains the other properties. The present status of the search for neutrino mass is briefly reviewed

  16. Analytical applications of ion exchangers

    CERN Document Server

    Inczédy, J

    1966-01-01

    Analytical Applications of Ion Exchangers presents the laboratory use of ion-exchange resins. This book discusses the development in the analytical application of ion exchangers. Organized into 10 chapters, this book begins with an overview of the history and significance of ion exchangers for technical purposes. This text then describes the properties of ion exchangers, which are large molecular water-insoluble polyelectrolytes having a cross-linked structure that contains ionic groups. Other chapters consider the theories concerning the operation of ion-exchange resins and investigate th

  17. Parameters of an indirect exchange in gadolinium and iron compounds

    International Nuclear Information System (INIS)

    Kupriyanov, A.K.; Nikitin, S.A.

    1981-01-01

    On the basis of the theory of an indirect exchange and experimental values of hyperfine fields, Curie point and electric resistance, the constants of sd and sf exchange are determined as well as the effective carrier mass for the Gdsub(x)Ysub(1-x)Fesub(3) type compounds. It is shown that the agreement with experiment can be improved on assumption that exchange interactions in the given compounds are realized not only through conductivity electrons but also through collectivized d-type electrons [ru

  18. System for exchanging tools and end effectors on a robot

    International Nuclear Information System (INIS)

    Burry, D.B.; Williams, P.M.

    1991-01-01

    A system and method for exchanging tools and end effectors on a robot permits exchange during a programmed task. The exchange mechanism is located off the robot, thus reducing the mass of the robot arm and permitting smaller robots to perform designated tasks. A simple spring/collet mechanism mounted on the robot is used which permits the engagement and disengagement of the tool or end effector without the need for a rotational orientation of the tool to the end effector/collet interface. As the tool changing system is not located on the robot arm no umbilical cords are located on robot. 12 figures

  19. Horizontal Curve Virtual Peer Exchange : an RSPCB Peer Exchange

    Science.gov (United States)

    2014-06-01

    This report summarizes the Horizontal Curve Virtual Peer Exchange sponsored by the Federal Highway Administration (FHWA) Office of Safetys Roadway Safety Professional Capacity Building Program on June 17, 2014. This virtual peer exchange was the f...

  20. Fouling detection in heat exchangers by Takagi-Sugeno observers

    International Nuclear Information System (INIS)

    Delrot, Sabrina

    2012-01-01

    The phenomenon of fouling in heat exchangers is currently an important topic. Indeed, the fouling is a costly issue that increases the energy loss (directly or indirectly through an over-sizing of the equipment), and therefore increases the water consumption. As a side effect, fouling increases CO 2 consumption that leads to environmental consequences. Fouling can be detected either on local scale, using expensive and specific sensors or on global scale. Global estimation of fouling can be done by measuring the variation of the mass of the exchanger, or by estimating the efficiency of the exchanger through the transfer coefficient. These two methods require very restricting conditions: a powered exchanger to measure mass variation and a steady state exchanger to estimate the efficiency. The work introduced in this thesis deals with the development of non-linear observers that detect fouling early enough to start an efficient cleaning process. As a beginning, a finite element model of a counter current tubular exchanger was proposed. Then three approaches, based on non-linear Takagi-Sugeno observers, were suggested to detect early fouling in heat exchangers. First approach consisted in a set of observers that estimated the parameters of fouling effect through an interpolation method. The second approach proposed a polynomial Takagi-Sugeno observer, using the theory of sums of squares. Finally, a observer of Takagi-Sugeno type with unknown inputs was developed. As a conclusion, a comparison between those different methods was done. (author)

  1. A study on the influence of fast amide exchange on the accuracy of (15)N relaxation rate constants.

    Science.gov (United States)

    Jurt, Simon; Zerbe, Oliver

    2012-12-01

    (15)N relaxation rates of amide moieties provide insight both into global as well as local backbone dynamics of peptides and proteins. As the differences in the relaxation rates in general are small, their accurate determination is of prime importance. One potential source of error is fast amide exchange. It is well known that in its presence the effects of saturation transfer and H/D exchange may result in erroneous apparent relaxation rates R (1) and R (2). Here, the extent of these errors is rigorously examined. Theoretical considerations reveal that even when saturation effects are absent, H/D exchange will easily result in significant deviations from the true values. In particular overestimations of up to 10 % in R (1) and up to 5 % in R (2) are observed. An alternative scheme for fitting the relaxation data to the corresponding exponentials is presented that in the best cases not only delivers more accurate relaxation rates but also allows extracting estimates for the exchange rates. The theoretical computations were tested and verified for the case of ubiquitin.

  2. A study on the influence of fast amide exchange on the accuracy of 15N relaxation rate constants

    International Nuclear Information System (INIS)

    Jurt, Simon; Zerbe, Oliver

    2012-01-01

    15 N relaxation rates of amide moieties provide insight both into global as well as local backbone dynamics of peptides and proteins. As the differences in the relaxation rates in general are small, their accurate determination is of prime importance. One potential source of error is fast amide exchange. It is well known that in its presence the effects of saturation transfer and H/D exchange may result in erroneous apparent relaxation rates R 1 and R 2 . Here, the extent of these errors is rigorously examined. Theoretical considerations reveal that even when saturation effects are absent, H/D exchange will easily result in significant deviations from the true values. In particular overestimations of up to 10 % in R 1 and up to 5 % in R 2 are observed. An alternative scheme for fitting the relaxation data to the corresponding exponentials is presented that in the best cases not only delivers more accurate relaxation rates but also allows extracting estimates for the exchange rates. The theoretical computations were tested and verified for the case of ubiquitin.

  3. The Metaphysics of Economic Exchanges

    Directory of Open Access Journals (Sweden)

    Massin Olivier

    2017-05-01

    Full Text Available What are economic exchanges? The received view has it that exchanges are mutual transfers of goods motivated by inverse valuations thereof. As a corollary, the standard approach treats exchanges of services as a subspecies of exchanges of goods. We raise two objections against this standard approach. First, it is incomplete, as it fails to take into account, among other things, the offers and acceptances that lie at the core of even the simplest cases of exchanges. Second, it ultimately fails to generalize to exchanges of services, in which neither inverse preferences nor mutual transfers hold true. We propose an alternative definition of exchanges, which treats exchanges of goods as a special case of exchanges of services and which builds in offers and acceptances. According to this theory: (i The valuations motivating exchanges are propositional and convergent rather than objectual and inverse; (ii All exchanges of goods involve exchanges of services/actions, but not the reverse; (iii Offers and acceptances, together with the contractual obligations and claims they bring about, lie at the heart of all cases of exchange.

  4. Isotope anomalies in oxygen isotope exchange equilibrium systems

    International Nuclear Information System (INIS)

    Kotaka, M.

    1997-01-01

    The purpose of the present work is to elucidate the isotope anomalies in oxygen isotope exchange equilibrium systems, according to the calculations of the equilibrium constants for oxygen isotopic exchange reactions, and the calculations of the oxygen isotope separation factors between two phases. The equilibrium constants (K65, K67, K68 and K69) of 16 O- 15 O, 16 O 17 O, 16 O- 18 O, and 16 O- 19 O exchange reactions between diatomic oxides were calculated in a wide temperature range on the basis of quantum statistical mechanics. Many equilibrium constants showed the anomalous mass effects, and then had the crossover temperatures and the mass independent fractionation (MIF) temperatures which held K67 = K65, K67 = K68, or K67 = K69, etc. For example, the equilibrium constants for the reactions between OH and the other diatomic oxides (MO) showed the anomalous mass effects, when M was Li, Na, Mg, K, Fe, Al, Ge, Zr, Pt, etc. The 16 O 15 O, 16 O 17 O, 16 O- 18 O, and 16 O- 19 O oxygen isotope separation factors (S65, S67, S68 and S69) between two phases were calculated, when OH and CO were in the first phase, and SiO was in the second phase. Although the oxygen isotopic exchange equilibria in the two phases had no MIF and crossover temperatures, the separation factors showed the anomalous mass effects and had the temperatures. According to what is called the normal mass effects for the equilibrium constant of isotopic exchange reaction, the value of InK68/InK67 is 1.885. Therefore, the value of InS68/InS67 should be 1.885 too. The value calculated, however, widely changed. It can be concluded from the results obtained in the present work that some oxygen isotopic exchange equilibria cause the anomalous mass effects, the anomalous oxygen isotope separation factors, and then isotope anomalies

  5. Remeasurement of p/suby/ for the 2H(d, n)3He reaction and its bearing on the reported f-wave admixture of the lowest 2- state in 4He

    International Nuclear Information System (INIS)

    Tornow, W.; Skubic, S.E.; Byrd, R.C.; Lisowski, P.W.; Walter, R.L.

    1976-01-01

    The polarization of neutrons from the reaction 2 H(d, n) 3 He has been measured for a deuteron energy E/subd/ = 2.44 MeV at emission angles of 45degree and 55degree (lab). The polarization values are discussed in relation both to previously reported discrepant data and to measured differences between p/suby/ and A/suby/ in the reaction 3 H(p, n) 3 He

  6. Preliminary SP-100/Stirling heat exchanger designs

    International Nuclear Information System (INIS)

    Schmitz, P.; Tower, L.; Blue, B.; Dunn, P.

    1994-01-01

    Analytic modeling of several heat exchanger concepts to couple the SP-100 nuclear reactor lithium loop and the Space Stirling Power Convertor (SSPC) was performed. Four 25 kWe SSPC's are used to produce the required 100 kW of electrical power. This design work focused on the interface between a single SSPC and the primary lithium loop. Manifolding to separate and collect the four channel flow was not modeled. This work modeled two separate types of heat exchanger interfaces (conductive coupling and radiative coupling) to explore their relative advantages and disadvantages. The minimum mass design of the conductively coupled concepts was 18 kg or 0.73 kg/kWe for a single 25 kWe convertor. The minimum mass radiatively coupled concept was 41 kg or 1.64 kg/kWe. The direct conduction heat exchanger provides a lighter weight system because of its ability to operate the Stirling convertor evaporator at higher heat fluxes than those attainable by the radiatively coupled systems. Additionally the conductively coupled concepts had relatively small volumes and provide potentially simpler assembly. Their disadvantages were the tight tolerances and material joining problems associated with this refractory to superalloy interface. The advantages of the radiatively coupled designs were the minimal material interface problems

  7. Study on influencing factors for hydrogen isotopic exchange

    International Nuclear Information System (INIS)

    Gu Mei; Liu Jun; Luo Yangming

    2013-01-01

    Background: Hydrogen-water catalytic exchange reaction offers an approach to hydrogen isotope separation, which can be applied in heavy water detritiation. Purpose: To optimize the operating condition for hydrogen-water catalytic exchange reaction, we analysed the influence of different factors on the transfer coefficient. Methods: In detail, the isotope exchange experiments of H-D system were carried out in a self-designed catalytic bed loaded with hydrophobic catalyst and hydrophilic packing with certain volume ratio. The experiments showed the changes of both the transfer coefficient and the pressure drop of column with the changing of the operational temperatures (29℃, 45℃, 60℃ and 75℃), the ratios of gas to liquid (0.58, 1.17, 2.65, 3.54) and the deuterium concentrations (5.05×10 -3 , 1.0144×10 -2 , 2.01×10 -2 ). Results: Results showed that 45℃ is the optimal temperature for operating. The transfer coefficient increases with the increasing of the ratio of gas to liquid in the ranges of 0.58 to 1.17 and 2.65 to 3.56, while decreases with the deuterium concentration increases from 5.05×10 -3 to 2.01×10 -2 . The pressure drop of column increases with increasing of gas flow rate. Conclusions: The experiment proves that the ratio of gas to liquid, the reaction temperature and the deuterium concentration are all important factors, which influence the transfer coefficient of deuterium obviously. The optimal operating condition for hydrogen-water catalytic exchange reaction are as follows: the temperature is 45℃, the ratio of gas to liquid is 3.56, and the deuterium concentration is 2.01×10 -2 . (authors)

  8. Mass Society

    DEFF Research Database (Denmark)

    Borch, Christian

    2017-01-01

    the negative features usually ascribed by late nineteenth-century crowd psychology to spontaneous crowds, and attributes these to the entire social fabric. However, in contrast to crowd psychology, theorists of mass society often place greater emphasis on how capitalism, technological advances, or demographic......Mass society is a societal diagnosis that emphasizes – usually in a pejorative, modernity critical manner – a series of traits allegedly associated with modern society, such as the leveling of individuality, moral decay, alienation, and isolation. As such, the notion of mass society generalizes...... developments condition such negative features, and some theorists argue that mass society produces a propensity to totalitarianism. Discussions of mass society culminated in the early and mid-twentieth century....

  9. Data Exchange Inventory (DEXI) System

    Data.gov (United States)

    Social Security Administration — DEXI is an intranet application used by SSA users to track all incoming and outgoing data exchanges between SSA and our data exchange partners. Information such as...

  10. Transfer coefficients for plate fin and elliptical tube heat exchangers

    International Nuclear Information System (INIS)

    Saboya, S.M.; Saboya, F.E.M.

    1981-01-01

    In order to determine transfer coefficients for plate fin and elliptical tube exchangers, mass transfer experiments have been performed using the naphthalene sublimation technique. By means of the heat-mass transfer analogy, the results can be converted to heat transfer results. The transfer coefficients were compared with those for circular tube exchangers and the comparison revealed no major differences. This is a positive outcome, since the use of elliptical tubes may reduce substantially the pressure drop, without affecting the transfer characteristics.(Author) [pt

  11. Produção de matéria seca e trocas gasosas em cultivares de mamoneira sob níveis de irrigação Dry mass production and gas exchanges in castor bean cultivars under different irrigation levels

    Directory of Open Access Journals (Sweden)

    Cley A. S. de Freitas

    2011-11-01

    Full Text Available Este trabalho teve o objetivo de avaliar os efeitos de cinco níveis de irrigação por gotejamento, em três cultivares de mamoneira (IAC Guarani, Mirante 10 e BRS Paraguaçu mediante a quantificação da produção de matéria seca pelas diferentes partes da planta (limbo foliar, caule e pecíolo e a mensuração das trocas gasosas (fotossíntese, condutância estomática e transpiração. O experimento foi conduzido no campo, na Fazenda Experimental Vale do Curu, Pentecoste, CE, sob delineamento experimental em blocos casualizados com parcelas subdivididas, em esquema fatorial 5 x 3 e com três repetições. Os tratamentos foram cinco lâminas de irrigação (25, 50, 75, 100 e 125% da evaporação do tanque Classe "A" e três cultivares. Os diferentes níveis de irrigação influenciaram as variáveis: massa seca do pecíolo, condutância estomática e fotossíntese; os valores máximos para essas variáveis foram obtidos com o nível de irrigação correspondente a 125% da evaporação no tanque Classe A. Houve uma resposta diferenciada na produção de biomassa e nas trocas gasosas entre as três cultivares avaliadas em todas as variáveis estudadas, exceto na massa seca do pecíolo.This study was aimed at evaluating the effects of five levels of drip irrigation in three castor bean cultivars (IAC Guarani, Mirante 10 and BRS Paraguaçu by measuring the dry mass production by the different plant parts (leaf blade, petiole and plant stem as well as by measuring the gas exchange processes (photosynthesis, stomatal conductance and transpiration. The experiment was conducted in the field, at the Fazenda Experimental, Vale do Curu, Pentecoste, Ceará (Br. The experiment was conducted in a randomized blocks in a 5x3 factorial scheme, in split plots with three repetitions. The treatments were five irrigation levels (25, 50, 75, 100 and 125% of the class "A" pan evaporation (CAE applied to the three cultivars. The different irrigation levels

  12. Automatic fuel exchanging device

    International Nuclear Information System (INIS)

    Takahashi, Fuminobu.

    1984-01-01

    Purpose: To enable to designate the identification number of a fuel assembly in a nuclear reactor pressure vessel thereby surely exchanging the designated assembly within a short time. Constitution: Identification number (or letter) pressed on a grip of a fuel assembly is to be detected by a two-dimensional ultrasonic probe of a pull-up mechanism. When the detected number corresponds with the designated number, a control signal is outputted, whereby the pull-up drive control mechanism or pull-up mechanism responds to pull-up and exchange the fuel assembly of the identified number. With such a constitution, the fuel assembly can rapidly and surely be recognized even if pressed letters deviate to the left or right of the probe, and further, the hinge portion and the signal processing portion can be simplified. (Horiuchi, T.)

  13. Manufacture of heat exchangers

    International Nuclear Information System (INIS)

    Burton, J.E.; Tombs, R.W.T.

    1980-01-01

    A tube bundle for use in a heat exchanger has a series of spaced parallel tubes supported by tube plates and is manufactured by depositing welding material around the end of each tube, machining the deposited material to form an annular flange around the end of the tube and welding the flange into apertures in the tube plate. Preferably the tubes have a length which is slightly less than the distance between the outer surfaces of the tube plates and the deposited material is deposited so that it overlaps and protects the end surfaces of the tubes. A plug may be inserted in the bore of the tubes during the welding material deposition which, as described, is effected by manual metal arc welding. One use of heat exchangers incorporating a tube bundle manufactured as above is in apparatus for reducing the volume of, and recovering nitric acid from, radioactive effluents from a nuclear reprocessing plant. (author)

  14. Compact cryocooler heat exchangers

    International Nuclear Information System (INIS)

    Luna, J.; Frederking, T.H.K.

    1991-01-01

    Compact heat exchangers are subject to different constraints as a room temperature gas is cooled down by a cold stream returning from a JT valve (or a similar cryoprocess component). In particular, the optimization of exchangers for liquid helium systems has to cover a wide range in temperature and density of the fluid. In the present work we address the following thermodynamic questions: 1. The optimization of intermediate temperatures which optimize stage operation (a stage is assumed to have a constant cross section); 2. The optimum temperature difference available for best overall economic performance values. The results are viewed in the context of porous media concepts applied to rather low speeds of fluid flow in narrow passages. In this paper examples of fluid/solid constraints imposed in this non-classical low temperature area are presented

  15. Exchange currents in nuclear physics

    International Nuclear Information System (INIS)

    Truglik, Eh.

    1980-01-01

    Starting from Adler's low-energy theorem for the soft pion production amplitudes the predictions of the meson exchange currents theory for the nuclear physics are discussed. The results are reformulated in terms of phenomenological lagrangians. This method allows one to pass naturally to the more realistic case of hard mesons. The predictions are critically compared with the existing experimental data. The main processes in which vector isovector exchange currents, vector isoscalar exchange currents and axial exchange currents take place are pointed out

  16. Exchange rate rebounds after foreign exchange market interventions

    Science.gov (United States)

    Hoshikawa, Takeshi

    2017-03-01

    This study examined the rebounds in the exchange rate after foreign exchange intervention. When intervention is strongly effective, the exchange rate rebounds at next day. The effect of intervention is reduced slightly by the rebound after the intervention. The exchange rate might have been 67.12-77.47 yen to a US dollar without yen-selling/dollar-purchasing intervention of 74,691,100 million yen implemented by the Japanese government since 1991, in comparison to the actual exchange rate was 103.19 yen to the US dollar at the end of March 2014.

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

    Czech Academy of Sciences Publication Activity Database

    Yang, M.; Hoeppner, M.; Rey, M.; Kádek, Alan; Man, Petr; Schriemer, D. C.

    2015-01-01

    Roč. 87, č. 13 (2015), s. 6681-6687 ISSN 0003-2700 Grant - others:OPPC(XE) CZ.2.16/3.1.00/24023 Institutional support: RVO:61388971 Keywords : ASPARTIC PROTEASE NEPENTHESIN-1 * UNIQUE MEMBER * STABILITY Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 5.886, year: 2015

  18. Heat exchanger tube tool

    International Nuclear Information System (INIS)

    Gugel, G.

    1976-01-01

    Certain types of heat-exchangers have tubes opening through a tube sheet to a manifold having an access opening offset from alignment with the tube ends. A tool for inserting a device, such as for inspection or repair, is provided for use in such instances. The tool is formed by a flexible guide tube insertable through the access opening and having an inner end provided with a connector for connection with the opening of the tube in which the device is to be inserted, and an outer end which remains outside of the chamber, the guide tube having adequate length for this arrangement. A flexible transport hose for internally transporting the device slides inside of the guide tube. This hose is long enough to slide through the guide tube, into the heat-exchanger tube, and through the latter to the extent required for the use of the device. The guide tube must be bent to reach the end of the heat-exchanger tube and the latter may be constructed with a bend, the hose carrying anit-friction elements at interspaced locations along its length to make it possible for the hose to negotiate such bends while sliding to the location where the use of the device is required

  19. Timing Foreign Exchange Markets

    Directory of Open Access Journals (Sweden)

    Samuel W. Malone

    2016-03-01

    Full Text Available To improve short-horizon exchange rate forecasts, we employ foreign exchange market risk factors as fundamentals, and Bayesian treed Gaussian process (BTGP models to handle non-linear, time-varying relationships between these fundamentals and exchange rates. Forecasts from the BTGP model conditional on the carry and dollar factors dominate random walk forecasts on accuracy and economic criteria in the Meese-Rogoff setting. Superior market timing ability for large moves, more than directional accuracy, drives the BTGP’s success. We explain how, through a model averaging Monte Carlo scheme, the BTGP is able to simultaneously exploit smoothness and rough breaks in between-variable dynamics. Either feature in isolation is unable to consistently outperform benchmarks throughout the full span of time in our forecasting exercises. Trading strategies based on ex ante BTGP forecasts deliver the highest out-of-sample risk-adjusted returns for the median currency, as well as for both predictable, traded risk factors.

  20. The exchangeability of shape

    Directory of Open Access Journals (Sweden)

    Kaba Dramane

    2010-10-01

    Full Text Available Abstract Background Landmark based geometric morphometrics (GM allows the quantitative comparison of organismal shapes. When applied to systematics, it is able to score shape changes which often are undetectable by traditional morphological studies and even by classical morphometric approaches. It has thus become a fast and low cost candidate to identify cryptic species. Due to inherent mathematical properties, shape variables derived from one set of coordinates cannot be compared with shape variables derived from another set. Raw coordinates which produce these shape variables could be used for data exchange, however they contain measurement error. The latter may represent a significant obstacle when the objective is to distinguish very similar species. Results We show here that a single user derived dataset produces much less classification error than a multiple one. The question then becomes how to circumvent the lack of exchangeability of shape variables while preserving a single user dataset. A solution to this question could lead to the creation of a relatively fast and inexpensive systematic tool adapted for the recognition of cryptic species. Conclusions To preserve both exchangeability of shape and a single user derived dataset, our suggestion is to create a free access bank of reference images from which one can produce raw coordinates and use them for comparison with external specimens. Thus, we propose an alternative geometric descriptive system that separates 2-D data gathering and analyzes.