NMR studies of macroscopic and microscopic properties of liquid crystals

International Nuclear Information System (INIS)

Hughes, J.R.

1998-03-01

The work presented is concerned with studies of orientational order in liquid crystals and the behaviour of certain mesophases. The experimental technique used in common with all the work is deuterium NMR spectroscopy. Much of the work involves studies of the orientational order of deuteriated solute molecules dissolved in liquid crystal solvents. Chapter 1 gives an introduction to liquid crystals followed by a quantitative description of orientational order. Deuterium NMR in liquid crystals is described and an outline of the molecular field theory behind the orientational order of a rigid, biaxial solute in a uniaxial mesophase is given. In Chapter 2 a novel type of mesophase induction is studied using NMR, where a solute induces up to two extra phases in a discotic mesogen depending on its concentration. The purpose of this work is to try to gain an understanding into the mechanism of the phase induction involved. Chapter 3 is concerned primarily with the macroscopic behaviour of the nematic phase formed by a semi-rigid main-chain polymer in solution. Of particular interest is the study of the reorientation of the monodomain, once the director has been rotated with respect to the magnetic field of the NMR spectrometer. A mesogen which has been claimed to exhibit a biaxial nematic phase is studied in Chapter 4, in order to determine the symmetry of the phase using NMR. Finally, Chapter 5 deals with the differing behaviour of a liquid crystal monomer and its dimer dissolved in common nematic solvents in order to determine whether this agrees with molecular field theory. (author)

Use of deuterium n. m. r. spectroscopy in mechanistic studies of exchange reactions of ethers on supported metal catalysts

Energy Technology Data Exchange (ETDEWEB)

Campbell, J.A.; Kemball, Charles; McDougall, G.S.

1987-10-01

Exchange reactions of diethyl ether (DEE) and tetrahydrofuran (THF) with deuterium have been studied over supported nickel, palladium, platinum, and rhodium catalysts. Products from most of the systems were analysed by deuterium n.m.r. spectroscopy (55.28 MHz) which gave quantitative results about the distribution of deuterium in the exchanged ethers. The results confirm earlier conclusions about the mechanism of the exchange of DEE and provide new evidence about the reactions of THF. Some hydrogenolysis occurred simultaneously with exchange of THF over both nickel and platinum.

Measurement of backbone hydrogen-deuterium exchange in the type III secretion system needle protein PrgI by solid-state NMR

Science.gov (United States)

Chevelkov, Veniamin; Giller, Karin; Becker, Stefan; Lange, Adam

2017-10-01

In this report we present site-specific measurements of amide hydrogen-deuterium exchange rates in a protein in the solid state phase by MAS NMR. Employing perdeuteration, proton detection and a high external magnetic field we could adopt the highly efficient Relax-EXSY protocol previously developed for liquid state NMR. According to this method, we measured the contribution of hydrogen exchange on apparent 15N longitudinal relaxation rates in samples with differing D2O buffer content. Differences in the apparent T1 times allowed us to derive exchange rates for multiple residues in the type III secretion system needle protein.

Synthesis of seven deuteromethyl-caffeine analogues observation of deuterium isotope effects on CMR analysis

Energy Technology Data Exchange (ETDEWEB)

Falconnet, J.B.; Brazier, J.L.; Desage, M.

1986-03-01

The synthesis of all 7 N-trideuteromethyl isotopomers of caffeine by reaction of trideuteromethyl iodide (C/sup 2/H/sub 3/I) with the appropriate xanthine molecules is described. The use of proton, deuterium and carbon-13-NMR as a first step in purity assessment revealed /sup 13/C-NMR deuterium isotope effects on the resonance of perdeuteromethyl carbons.

High resolution NMR spectroscopy of synthetic polymers in bulk

International Nuclear Information System (INIS)

Komorski, R.A.

1986-01-01

The contents of this book are: Overview of high-resolution NMR of solid polymers; High-resolution NMR of glassy amorphous polymers; Carbon-13 solid-state NMR of semicrystalline polymers; Conformational analysis of polymers of solid-state NMR; High-resolution NMR studies of oriented polymers; High-resolution solid-state NMR of protons in polymers; and Deuterium NMR of solid polymers. This work brings together the various approaches for high-resolution NMR studies of bulk polymers into one volume. Heavy emphasis is, of course, given to 13C NMR studies both above and below Tg. Standard high-power pulse and wide-line techniques are not covered

Deuterium isotope effects on the ring inversion equilibrium in cyclohexane: the A value of deuterium and its origin

International Nuclear Information System (INIS)

Anet, F.A.L.; Kopelevich, M.

1986-01-01

It has been reported recently that the deuterium in cyclohexane-d 1 prefers the equatorial over the axial position by about 200 J/mol (i.e., ca. 50 cal/mol), as shown by three different kinds of NMR measurements. Such an isotope effect is unexpectedly large, and this has led the authors to reinvestigate the problem using Saunder's isotopic perturbation method. The authors thereby established that the free energy difference (the A value for deuterium) is 6.3 +/- 1.5 cal/mol, with deuterium more stable equatorial than axial. This value is supported by molecular mechanics calculations based in part on experimental vibrational frequencies. 17 references, 1 figure

Lactose Binding Induces Opposing Dynamics Changes in Human Galectins Revealed by NMR-Based Hydrogen-Deuterium Exchange.

Science.gov (United States)

Chien, Chih-Ta Henry; Ho, Meng-Ru; Lin, Chung-Hung; Hsu, Shang-Te Danny

2017-08-16

Galectins are β-galactoside-binding proteins implicated in a myriad of biological functions. Despite their highly conserved carbohydrate binding motifs with essentially identical structures, their affinities for lactose, a common galectin inhibitor, vary significantly. Here, we aimed to examine the molecular basis of differential lactose affinities amongst galectins using solution-based techniques. Consistent dissociation constants of lactose binding were derived from nuclear magnetic resonance (NMR) spectroscopy, intrinsic tryptophan fluorescence, isothermal titration calorimetry and bio-layer interferometry for human galectin-1 (hGal1), galectin-7 (hGal7), and the N-terminal and C-terminal domains of galectin-8 (hGal8 NTD and hGal8 CTD , respectively). Furthermore, the dissociation rates of lactose binding were extracted from NMR lineshape analyses. Structural mapping of chemical shift perturbations revealed long-range perturbations upon lactose binding for hGal1 and hGal8 NTD . We further demonstrated using the NMR-based hydrogen-deuterium exchange (HDX) that lactose binding increases the exchange rates of residues located on the opposite side of the ligand-binding pocket for hGal1 and hGal8 NTD , indicative of allostery. Additionally, lactose binding induces significant stabilisation of hGal8 CTD across the entire domain. Our results suggested that lactose binding reduced the internal dynamics of hGal8 CTD on a very slow timescale (minutes and slower) at the expense of reduced binding affinity due to the unfavourable loss of conformational entropy.

Synthesis of regio- and stereospecifically deuterium labelled 2-benzylindanes

International Nuclear Information System (INIS)

Kuck, D.

1984-01-01

2-Benzylindenes (1, 1a) are hydrogenated to 2-benzylindanes (2) using tris-(triphenylphosphine)-rhodium(I)-chloride in benzene by a strict cis-1,2 addition of hydrogen to the double bond. Thus, stereo- and regio-specific deuterium labelling at the five-membered ring of various 2-benzylindanes has been carried out. The high selectivity of deuterium incorporation is shown independently by 1 H NMR and mass (MIKEsup(*)) spectrometry of selected 2-benzylindanes. (orig.)

Selected topics from recent NMR studies of organolithium compounds

Directory of Open Access Journals (Sweden)

Günther Harald

1999-01-01

Full Text Available After a short introduction to NMR spectroscopy of alkali and alkaline earth metals the review concentrates on NMR investigations of organolithium compounds. The isotopic fingerprint method, which rests on deuterium-induced isotope shifts for 6Li resonances, is introduced and exemplified with applications from the aggregation behavior of cyclopropyllithium systems and mixed aggregate formation between methyllithium and lithium salts. In the following chapter, one- and two-dimensional pulse experiments, both for homo- and for heteronuclear spin systems are discussed. Finally, the structural aspects associated with benzyllithium are outlined and the formation of polylithium systems by lithium reduction of biphenylenes is described.

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…

Proton and deuterium NMR experiments in zero field. [Perdeuterated p-demethoxybenzene, perdeuterated malonic acid, diethyl terephthalate-d4, nonadecane-2,2'-D2, sodium propionate-D2

Energy Technology Data Exchange (ETDEWEB)

Millar, J.M.

1986-02-01

High field solid-state NMR lineshapes suffer from inhomogeneous broadening since resonance frequencies are a function of molecular orientation. Time domain zero field NMR is a two-dimensional field-cycling technique which removes this broadening by probing the evolution of the spin system under zero applied field. The simplest version, the sudden transition experiment, induces zero field evolution by the sudden removal of the applied magnetic field. Theory and experimental results of this experiment and several variations using pulsed dc magnetic fuelds to initiate zero field evolution are presented. In particular, the pulsed indirect detection method allows detection of the zero field spectrum of one nuclear spin species via another (usually protons) by utilizing the level crossings which occur upon adiabatic demagnetization to zero field. Experimental examples of proton/deuteron systems are presented which demonstrate the method results in enhanced sensitivity relative to that obtained in sudden transition experiments performed directly on deuterium. High resolution /sup 2/H NQR spectra of a series of benzoic acid derivatives are obtained using the sudden transition and indirect detection methods. Librational oscillations in the water molecules of barium chlorate monohydrate are studied using proton and deuterium ZF experiments. 177 refs., 88 figs., 2 tabs.

Magic Angle Spinning 207 Pb and low temperature deuterium NMR as a tool for studying local order and dynamics in CH 3 NH 3 PbX 3 (X=Cl, Br, I) hybrid perovskites

OpenAIRE

Roiland , Claire; trippé-Allard , gaelle; Jemli , K; Alonso , C; ameline , jean-claude; Gautier , Regis; Le Pollès , Laurent; Deleporte , Emmanuelle; Even , Jacky; Katan , Claudine

2016-01-01

National audience; Presenting high solar energy conversion efficiencies (>21%), hybrid perovskites APbX 3 (A is a small organic cation, X=Cl, Br, I) have recently become one of the most promising material in the field of photovoltaic devices. Meanwhile, fundamental understanding of what makes these preovskites so smart for photovoltaics remains limited. More then three decades ago, Wasylishen et al. had already revealed the interest of deuterium NMR to investigate the temperature behaviour an...

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)

Distinction of tris(diimine)ruthenium(II) enantiomers chiral by virtue of helical chirality: temperature-dependent deuterium NMR spectroscopy in partially oriented phases.

Science.gov (United States)

Szalontai, Gábor; Kovács, Margit

2006-11-01

2H NMR spectra of perdeuterated tris(diimine)ruthenium(II) complexes have been recorded in lyotropic liquid crystalline phase formed by the chiral polypeptide, poly-gamma-benzyl-L-glutamate (PBLG) and co-solvents. It is demonstrated that the left- and right-rotation isomers of these octahedral metal complexes with D3 symmetry can be distinguished. The effects of temperature and ligand size on spectral resolution were also studied. Although in the case of free bipyridine ligands excellent optical resolution could be obtained at room temperature in the complexes studied, the increase in ligand size has a detrimental effect on the resolution. This can be compensated to some extent by elevating the sample temperature and decreasing the deuterium relaxation rates, but the available temperature range and therefore the applicability of the technique are limited. Copyright 2006 John Wiley & Sons, Ltd.

Multinuclear NMR study of the structure of the Fv fragment of anti-dansyl mouse IgG2a antibody

Energy Technology Data Exchange (ETDEWEB)

Takahashi, Hideo; Odaka, Asano; Matsunaga, Chigusa; Kato, Koichi; Shimada, Ichio; Arata, Yoji (Univ. of Tokyo (Japan)); Kawaminami, Shunro (Kao Corp., Tochigi (Japan))

1991-07-02

A multinuclear NMR study is reported of Fv, which is a minimum antigen-binding unit of immunoglobulin. Fv has been prepared by clostripain digestion of a mouse anti-dansyl IgG2a monoclonal antibody that lacks the entire C{sub H}1 domain. A variety of Fv analogues labeled with {sup 2}H in the aromatic rings and with {sup 13}C and/or {sup 15}N in the peptide bonds have been prepared and used for multinuclear NMR analyses of Fv spectra of Fv sensitively reflect the antigen binding and can be used along with {sup 1}H and {sup 13}C spectral data for the structural analyses of antigen-antibody interactions. Hydrogen-deuterium exchange of the amide protons has been folowed in the absence and presence of DNS-Lys by using the {sup 1}H-{sup 15}N shift correlation spectra. Use of the {beta}-shift observed for the carbonyl carbon resonances has also been helpful in following the hydrogen-deuterium exchange. On the basis of the NMR data obtained, the static and dynamic structure of the Fv fragment in the absence and presence of DNS-Lys has been discussed.

Multinuclear NMR study of the structure of the Fv fragment of anti-dansyl mouse IgG2a antibody

International Nuclear Information System (INIS)

Takahashi, Hideo; Odaka, Asano; Matsunaga, Chigusa; Kato, Koichi; Shimada, Ichio; Arata, Yoji; Kawaminami, Shunro

1991-01-01

A multinuclear NMR study is reported of Fv, which is a minimum antigen-binding unit of immunoglobulin. Fv has been prepared by clostripain digestion of a mouse anti-dansyl IgG2a monoclonal antibody that lacks the entire C H 1 domain. A variety of Fv analogues labeled with 2 H in the aromatic rings and with 13 C and/or 15 N in the peptide bonds have been prepared and used for multinuclear NMR analyses of Fv spectra of Fv sensitively reflect the antigen binding and can be used along with 1 H and 13 C spectral data for the structural analyses of antigen-antibody interactions. Hydrogen-deuterium exchange of the amide protons has been folowed in the absence and presence of DNS-Lys by using the 1 H- 15 N shift correlation spectra. Use of the β-shift observed for the carbonyl carbon resonances has also been helpful in following the hydrogen-deuterium exchange. On the basis of the NMR data obtained, the static and dynamic structure of the Fv fragment in the absence and presence of DNS-Lys has been discussed

A deuterium and carbon nuclear magnetic resonance spectroscopic investigation of blood flow and carbohydrate metabolism

International Nuclear Information System (INIS)

Bosch, C.S.E.

1988-01-01

The purpose of this study is the development and application of nuclear magnetic resonance (NMR) spectroscopic techniques for this study of whole tissue metabolism, tissue perfusion and blood flow. The feasibility of spin imaging deuterium-enriched tissue water is demonstrated in cat brain in vivo and in situ. The potential application of D 2 O administration to deuterium-flow-imaging is considered. NMR investigations of hepatic carbohydrate metabolism were performed in rat liver in vivo and in situ. A coaxial, double-surface-coil, double-resonance probe was developed for carbon detection while decoupling neighboring proton scalar interactions ( 13 C-[ 1 H]) in hepatic tissue within the living animal. Hormonal and substrate regulation of hepatic glucose and glycogen metabolism was investigated by monitoring the metabolic fate of an administered c-dose of [1- 13 C]glucose. Label flux was directed primarily into newly-synthesized 13 C-labeled glycogen. A multiple resonance ( 1 H, 13 C, 31 P) liver perfusion probe was designed for complimentary carbohydrate metabolic studies in rat liver in vitro. A description of the 13 C-[ 1 H]/ 31 P NMR perfusion probe is given. The surgical technique used for liver excision and peripheral life-support apparatus required to maintain hepatic function are also detailed

NMR, MP2 and DFT Study of Thiophenoxyketenimines (o-ThioSchiff bases)

DEFF Research Database (Denmark)

Saeed, Bahjat Ali; Elias, Rita Sabah; Kamounah, Fadhil S.

2018-01-01

Five new thiophenoxyketinimines have been synthesized. 1 H and 13 C NMR spectra as well as deuterium isotope effects on 13 C chemical shifts are determined, and spectra are assigned. DFT and MP2 calculations of both structures, chemical shifts, and isotope effects on chemical shifts are done...... that calculations at the MP2 level are best to obtain correct "C═S" chemical shifts....

Study of the catalytic system, ethylbenzene-aluminum bromide, by the methods of NMR and EPR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Lipovich, V.G.; Bazhenova, A.P.; Kalabin, G.A.; Laperdina, T.G.; Latysheva, L.E.; Saraev, V.V.

1981-01-01

By the methods of NMR, EPR, and deuterium exchange it was shown that in the presence of air or oxygen in the system, ethylbenzene (I)-A1Br/sub 3/, disproportionation processes are activated, as a result of which in the /sup 1/H and /sup 13/ C NMR spectra new signals for the alkyl group of I and a signal for benzene alone appear. With accumulation in the composite layer of the catalytic system of a sufficient quantity of triethylbenzene, its protonation occurs with formation of the 2,4,6-triethylbenzenium ion. Interconversion of the two types of EPR signals, registerable on admission of air into the I-A1Br/sub 3/ system, occurs because of positional isomerization of the forming di- and triethylbenzenes. It was shown that in the presence of air in the system I-isopropylbenzene-A1Br/sub 3/, the degree of deuterium exchange between a-positions of alkyl groups is increased by 10-15% by comparison with the degassed system.

NMR analysis of t-butyl-catalyzed deuterium exchange at unactivated arene localities.

Science.gov (United States)

Stack, Douglas E; Eastman, Rachel

2016-10-01

Regioselective labelling of arene rings via electrophilic exchange is often dictated by the electronic environment caused by substituents present on the aromatic system. Previously, we observed the presence of a t-butyl group, either covalently bond or added as an external reagent, could impart deuterium exchange to the unactivated, C1-position of estrone. Here, we provide nuclear magnetic resonance analysis of this exchange in a solvent system composed of 50:50 trifluoroacetic acid and D 2 O with either 2-t-butylestrone or estrone in the presence of t-butyl alcohol has shed insights into the mechanism of this t-butyl-catalyzed exchange. Fast exchange of the t-butyl group concurrent with the gradual reduction of the H1 proton signal in both systems suggest a mechanism involving ipso attack of the t-butyl position by deuterium. The reversible addition/elimination of the t-butyl group activates the H1 proton towards exchange by a mechanism of t-butyl incorporation, H1 activation and exchange, followed by eventual t-butyl elimination. Density functional calculations are consistent with the observation of fast t-butyl exchange concurrent with slower H1 exchange. The σ-complex resulting from ipso attack of deuterium at the t-butyl carbon was 6.6 kcal/mol lower in energy than that of the σ-complex resulting from deuterium attack at C1. A better understanding of the t-butyl-catalyzed exchange could help in the design of labelling recipes for other phenolic metabolites. Copyright © 2016 The Authors. Journal of Labelled Compounds and Radiopharmaceuticals published by John Wiley & Sons, Ltd.

Carbon and deuterium nuclear magnetic resonance in solids

Energy Technology Data Exchange (ETDEWEB)

Shattuck, Thomas Wayne [Univ. of California, Berkeley, CA (United States)

1976-07-01

In Chapter I we present the results on a study of cross polarization dynamics, between protons and carbon-13 in adamantane, by the direct observation of the dilute, carbon-13, spins. These dynamics are an important consideration in the efficiency of proton enhancement double-resonance techniques and they also provide good experimental models for statistical theories of cross relaxation. In order to test these theories we present a comparison of the experimental and theoretical proton dipolar fluctuation correlation time τ_c, which is experimentally 110 ± 15 μsec and theoretically 122 μsec for adamantane. These double resonance considerations provide the background for extensions to deuterium and double quantum effects discussed in Chapter II. In Chapter II an approach to high resolution nmr of deuterium in solids is described. The m = 1 → -1 transition is excited by a double quantum process and the decay of coherence Q(τ) is monitored. Fourier transformation yields a deuterium spectrum devoid of quadrupole splittings and broadening. If the deuterium nuclei are dilute and the protons are spin decoupled, the double-quantum spectrum is a high resolution one and yields information on the deuterium chemical shifts Δω. The relationship Q(τ) ~ cos 2Δωτ is checked and the technique is applied to a single crystal of oxalic acid dihydrate enriched to ~ 10% in deuterium. The carboxyl and the water deuterium shifts are indeed resolved and the anisotropy of the carboxyl shielding tensor is estimated to be Δσ = 32 ± 3 ppm. A complete theoretical analysis is presented. The extension of cross relaxation techniques, both direct and indirect, to proton-deuterium double resonance is also described. The m = 1 → -1 double quantum transition and the m = ± 1 → 0 single quantum transitions may all be polarized and we present the derivation of the Hartmann-Hahn cross polarization conditions for each case. In addition the dynamics of the double quantum process

NMR studies of liquid crystals and molecules dissolved in liquid crystal solvents

Energy Technology Data Exchange (ETDEWEB)

Drobny, Gary Peter [Univ. of California, Berkeley, CA (United States)

1982-11-01

This thesis describes several studies in which nuclear magnetic resonance (nmr) spectroscopy has been used to probe the structure, orientation and dynamics of liquid crystal mesogens and molecules dissolved in liquid crystalline phases. In addition, a modern high field nmr spectrometer is described which has been used to perform such nmr studies. Chapter 1 introduces the quantum mechanical formalisms used throughout this thesis and briefly reviews the fundamentals of nuclear spin physics and pulsed nmr spectroscopy. First the density operator is described and a specific form for the canonical ensemble is derived. Then Clebsch-Gordon coefficients, Wigner rotation matrices, and irreducible tensor operators are reviewed. An expression for the equilibrium (Curie) magnetization is obtained and the linear response of a spin system to a strong pulsed r.f. irradiation is described. Finally, the spin interaction Hamiltonians relevant to this work are reviewed together with their truncated forms. Chapter 2 is a deuterium magnetic resonance study of two 'nom' liquid crystals which possess several low temperature mesomorphic phases. Specifically, deuterium quadrupolar echo spectroscopy is used to determine the orientation of the liquid crystal molecules in smectic phases, the changes in molecular orientation and motion that occur at smectic-smectic phase transitions, and the order of the phase transitions. For both compounds, the phase sequence is determined to be isotropic, nematic, smectic A, smectic C, smectic B_A, smectic B_C, and crystalline. The structure of the smectic A phase is found to be consistent with the well-known model of a two dimensional liquid in which molecules are rapidly rotating about their long axes and oriented at right angles to the plane of the layers. Molecules in the smectic C phase are found to have their long axes tilted with respect to the layer normal, and the tilt angle is temperature dependent, increasing from

Compared studies of natural and artificial deuterium depleted water

International Nuclear Information System (INIS)

Butnaru, Gallia; Mihacea, Sorina; Sirbovan, Alina; Butnariu, H.; Titescu, Gh.

2001-01-01

The biological influence of the deuterium on animals was studied insensitively in the last years. When animal cell cultures were analyzed it turned out an inhibition of the development, due to the reduced deuterium concentration. In the in vivo experiments a decreasing of the number of tumoral cells was pointed out when performing the depleted water treatment. It is obvious that the presence of deuterium in water is necessary for the development, especially for the tumoral cell proliferation. The aim of this work was to establish influence of the natural and artificial deuterium depleted water on the vegetal organisms development. For this purpose, the developmental stages of Lactuca sativa L. growth were followed. The experimental data were compared with the data obtained with distilled water. The birch, wine sap and some fruit juices are considered 'natural depleted' water sources because their deuterium content is smaller in comparison to natural water (D 2 =150 ppm). The effect of artificial deuterium depleted water (29 ppm D 2 ) was analyzed in comparison to three types of wine saps, which also have a reduced deuterium concentration (125-130 ppm D 2 ). If the deuterium depleted water was used, the germination percent and the root and shoot length were higher compared to control in the first stages. In wine sap it had a negative effect on germination and development. After three days the plants were transferred to soil and their development was followed. The foliage area was larger for all of the experimental variants compared to control. The differences were without significance when deuterium depleted water was tested but they were high and very significant in case of wine sap. The experiment pointed out a stimulative effect of the artificial deuterium depleted water. In case of wine sap the effect was negative when the contact was direct, but the growth was stimulated after the stress cessation. The first ontogenetic stages were represented by direct action

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.

Lightweight hydrogen-storage material Mg0.65Sc0.35D2 studied with 2H and 2H–{45Sc} MAS NMR exchange spectroscopy

NARCIS (Netherlands)

Srinivasan, S.; Magusin, P.C.M.M.

2011-01-01

Using double-quantum 2H MAS NMR with 45Sc recoupling and Bloch–Siegert compensated 2H–{45Sc} TRAPDOR we have identified the overlapping NMR signals of deuterium with and without scandium neighbors in Mg0.65Sc0.35D2, a candidate lightweight material for hydrogen storage. At room temperature we also

Partially-deuterated samples of HET-s(218–289) fibrils: assignment and deuterium isotope effect

Energy Technology Data Exchange (ETDEWEB)

Smith, Albert A.; Ravotti, Francesco; Testori, Emilie; Cadalbert, Riccardo; Ernst, Matthias, E-mail: maer@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland); Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [Institut de Biologie et Chimie des Protéines, Bases Moléculaires et Structurales des Systèmes Infectieux, Labex Ecofect, UMR 5086 CNRS, Université de Lyon (France); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

2017-02-15

Fast magic-angle spinning and partial sample deuteration allows direct detection of {sup 1}H in solid-state NMR, yielding significant gains in mass sensitivity. In order to further analyze the spectra, {sup 1}H detection requires assignment of the {sup 1}H resonances. In this work, resonance assignments of backbone H{sup N} and Hα are presented for HET-s(218–289) fibrils, based on the existing assignment of Cα, Cβ, C’, and N resonances. The samples used are partially deuterated for higher spectral resolution, and the shifts in resonance frequencies of Cα and Cβ due to the deuterium isotope effect are investigated. It is shown that the deuterium isotope effect can be estimated and used for assigning resonances of deuterated samples in solid-state NMR, based on known resonances of the protonated protein.

Preparation of deuterated heterocyclic five-membered ring compounds (furan, thiophene, pyrrole, and derivatives) by base-catalyzed hydrogen isotope exchange with deuterium oxide

International Nuclear Information System (INIS)

Heinrich, K.H.; Herrmann, M.; Moebius, G.; Sprinz, H.

1984-01-01

Several deuterated heterocyclic compounds of the type of furan,thiophene and pyrrole were prepared by base-catalyzed proton exchange with deuterium oxide at temperatures above 423 K in a closed system. The determination of deuterium and its distribution within the molecules was carried out by mass spectrometry and 1 H nmr spectrometry. (author)

Structure and dynamics of alpha-tocopherol in model membranes and in solution: a broad-line and high-resolution NMR study

International Nuclear Information System (INIS)

Ekiel, I.H.; Hughes, L.; Burton, G.W.; Jovall, P.A.; Ingold, K.U.; Smith, I.C.

1988-01-01

Nuclear magnetic resonance has been applied to study the conformational dynamics of alpha-tocopherol (vitamin E) in solution and in model membranes. In nonviscous solution, 1 H nuclear magnetic resonance (NMR) showed that alpha-tocopherol is in rapid equilibrium between two or more puckered conformers of its heterocyclic ring. The most likely conformers to be so involved are the two half-chair forms. Deuterium NMR spectra of specifically deuteriated alpha-tocopherol in multilamellar dispersions of egg phosphatidylcholine, measured in the liquid-crystalline state, were characteristic of axially symmetric motional averaging. The orientation of the rotational axis within the molecular framework was determined. Studies on oriented multilamellar membranes revealed that this axis is perpendicular to the surface of the membrane. The profile of quadrupolar splittings along the hydrophobic tail does not have a plateau, in contrast to that of the fatty acyl chains of the membrane lipids. Longitudinal relaxation times (T1) were short. The presence of a minimum in their temperature dependence shows that molecular motion with an effective correlation time tau eff approximately equal to 3 X 10(-9)s is responsible for relaxation. However, the temperatures and absolute values of the minima depend on the position of the deuterium in the molecule, demonstrating that tau eff represents a complex blend of motions

Biosynthesis of DIMBOA in maize using deuterium oxide as a tracer

International Nuclear Information System (INIS)

Peng, S.; Chilton, W.S.

1994-01-01

Growth of root cultures and of shoot cultures of maize (Zea mays) was noticeably inhibited by 30% D2O in liquid medium. Increasing the concentration of D2O in the medium decreased the concentration of DIMBOA [2,4-dihydroxy-7-methoxy 2H-1,4-benzoxazin-3(4H)-one] and the biomass of roots and shoots. DIMBOA was converted to MBOA [6-methoxy-2(3H)-benzoxazolone] and analysed by mass spectroscopy. Both root cultures and shoot cultures grown on 30% D2O incorporated deuterium at non-exchangeable sites of MBOA (15.6% and 16.1%, respectively), indicating that maize roots and shoots are independently capable of synthesizing DIMBOA from carbohydrate precursors. EI-MS and H-1 NMR showed that there was little selectivity in deuterium labelling between hydrogens at aromatic position 4, 5 or 7, consistent with the major amount of deuterium incorporation occurring prior to synthesis of shikimic acid

Deuterium isotope effects on 13C chemical shifts of 10-Hydroxybenzo[h]quinolines

DEFF Research Database (Denmark)

Hansen, Poul Erik; Kamounah, Fadhil S.; Gryko, Daniel T.

2013-01-01

Deuterium isotope effects on 13C-NMR chemical shifts are investigated in a series of 10-hydroxybenzo[h]quinolines (HBQ’s) The OH proton is deuteriated. The isotope effects on 13C chemical shifts in these hydrogen bonded systems are rather unusual. The formal four-bond effects are found to be nega...

Some double resonance and multiple quantum NMR studies in solids

International Nuclear Information System (INIS)

Wemmer, D.E.

1978-08-01

The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of 13 C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D 2 O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, Δsigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO 3 .D 2 O, α,β d-2 HMB and α,β,γ d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules Δm = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made

Biosynthetic origin of acetic acid using SNIF-NMR; Determinacao da origem biossintetica de acido acetico atraves da tecnica 'Site Specific Natural Isotopic Fractionation Studied by Nuclear Magnetic Resonance (SNIF-NMR)'

Energy Technology Data Exchange (ETDEWEB)

Boffo, Elisangela Fabiana; Ferreira, Antonio Gilberto [Sao Carlos Univ., SP (Brazil). Dept. de Quimica

2006-05-15

The main purpose of this work is to describe the use of the technique Site-Specific Natural Isotopic Fractionation of hydrogen (SNIF-NMR), using {sup 2}H and {sup 1}H NMR spectroscopy, to investigate the biosynthetic origin of acetic acid in commercial samples of Brazilian vinegar. This method is based on the deuterium to hydrogen ratio at a specific position (methyl group) of acetic acitained by fermentation, through different biosynthetic mechanisms, which result in different isotopic ratios. We measured the isotopic ratio of vinegars obtained through C{sub 3}, C{sub 4}, and CAM biosynthetic mechanisms, blends of C{sub 3} and C{sub 4} (agrins) and synthetic acetic acid. (author)

Effect of deposited tungsten on deuterium accumulation in beryllium in contact with atomic deuterium

Energy Technology Data Exchange (ETDEWEB)

Sharapov, V.M.; Gavrilov, L.E. [Institute of Physical Chemistry, Russian Academy of Sciences, Moscow (Russian Federation); Kulikauskas, V.S.

1998-01-01

Usually ion or plasma beam is used for the experiment with beryllium which simulates the interaction of plasma with first wall in fusion devices. However, the use of thermal or subthermal atoms of hydrogen isotopes seems to be useful for that purpose. Recently, the authors have studied the deuterium accumulation in beryllium in contact with atomic deuterium. The experimental setup is shown, and is explained. By means of elastic recoil detection (ERD) technique, it was shown that in the exposure to D atoms at 740 K, deuterium is distributed deeply into the bulk, and is accumulated up to higher concentration than the case of the exposure to molecular deuterium. The depth and concentration of deuterium distribution depend on the exposure time, and those data are shown. During the exposure to atomic deuterium, oxide film grew on the side of a sample facing plasma. In order to understand the mechanism of deuterium trapping, the experiment was performed using secondary ion mass spectrometry (SIMS) and residual gas analysis (RGA). The influence that the tungsten deposit from the heated cathode exerted to the deuterium accumulation in beryllium in contact with atomic deuterium was investigated. These results are reported. (K.I.)

Deuterium isotope separation

International Nuclear Information System (INIS)

Benson, S.W.

1979-01-01

Deuterium-containing molecules are separated and enriched by exposing commercially available ethylene, vinyl chloride, 1,2-dichloroethane or propylene to the radiation of tuned infrared lasers to selectively decompose these compounds into enriched molecular products containing deuterium atoms. The deuterium containing molecules can be easily separated from the starting material by absorption, distillation or other simple chemical separation techniques and methods. After evaporation such deuterium containing molecules can be burned to form water with an enriched deuterium content or pyrolyzed to form hydrogen gas with an enriched deuterium content. (author)

Some double resonance and multiple quantum NMR studies in solids

Energy Technology Data Exchange (ETDEWEB)

Wemmer, D.E.

1978-08-01

The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of /sup 13/C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D/sub 2/O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, ..delta..sigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO/sub 3/.D/sub 2/O, ..cap alpha..,..beta.. d-2 HMB and ..cap alpha..,..beta..,..gamma.. d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules ..delta..m = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made.

Deuterium used as artificial tracer in column studies under saturated water flow conditions

Science.gov (United States)

Koeniger, P.; Geiges, M.; Leibundgut, Ch.

2003-04-01

In contrast to numerous investigations using deuterium as an environmental tracer, hydrological investigations with deuterium-labelled water are rather rare. Currently applications in groundwater studies are restricted due to increasing costs of spiking large water quantities but an application as intelligent tracer might be of advantage especially in combination with other tracers and under distinct environmental conditions. Therefore deuterium was applied as artificial tracer in column experiments that are well proved as a tool to characterise tracer behaviour in recent studies. Deuterium was tested in comparison to the more familiar conservative tracer fluorescein. Varying experimental conditions, e.g. column length (0.5, 1.0, 1.5 m), initial tracer concentration (0.01, 0.02, 0.2 mg) and flow velocity (1.5 to 6.0 m/d) were used to investigate tracer behaviour under saturated water flow conditions. Deuterium was analysed using an H/Device with chrome reduction connected to an isotope ratio mass spectrometer and expressed in relative concentrations [per mill V-SMOW]. Theoretical tracer breakthrough curves were calculated using a one dimensional dispersion model. The results indicate higher mean transport velocities and smaller dispersion for deuterium in all experiments. Due to different molecule properties that also determine the interaction of soil substrate and tracer, deuterium indicates a more conservative transport behaviour. Deuterium is non-toxic, completely soluble, chemically and biologically stable and not subject to light-influenced decay. Furthermore, it shows promise for investigations of water flow in the unsaturated zone, and of interactions of water in soil-plant-atmosphere systems. A further discussion of problems, together with possibilities for applying deuterium as an artificial tracer, will be presented.

Traceability of synthetic drugs by position-specific deuterium isotope ratio analysis

Energy Technology Data Exchange (ETDEWEB)

Brenna, Elisabetta [Dipartimento di Chimica, Materiali e di Ingegneria Chimica del Politecnico di Milano and Istituto CNR per la Chimica del Riconoscimento Molecolare, Via Mancinelli 7, Milan I-20131 (Italy)], E-mail: elisabetta.brenna@polimi.it; Fronza, Giovanni [Dipartimento di Chimica, Materiali e di Ingegneria Chimica del Politecnico di Milano (Italy) and Instituto CNR per la Chimica del Riconoscimento Molecolare, Via Mancinelli 7, Milan I-20131 (Italy)], E-mail: giovanni.fronza@polimi.it; Fuganti, Claudio [Dipartimento di Chimica, Materiali e di Ingegneria Chimica del Politecnico di Milano (Italy) and Istituto CNR per la Chimica del Riconoscimento Molecolare, Via Mancinelli 7, Milan I-20131 (Italy)

2007-10-10

Samples of fluoxetine of different origin were submitted to natural abundance {sup 2}H NMR spectroscopy. The deuterium content at the various sites of the molecule was found to depend on its synthetic history. Hints on the synthetic procedure can be obtained by comparison with standard compounds, whose synthesis is known. These preliminary results give an idea of the potential of site-specific isotope ratio analysis in the fight against patent infringement and drug counterfeiting.

Traceability of synthetic drugs by position-specific deuterium isotope ratio analysis

International Nuclear Information System (INIS)

Brenna, Elisabetta; Fronza, Giovanni; Fuganti, Claudio

2007-01-01

Samples of fluoxetine of different origin were submitted to natural abundance 2 H NMR spectroscopy. The deuterium content at the various sites of the molecule was found to depend on its synthetic history. Hints on the synthetic procedure can be obtained by comparison with standard compounds, whose synthesis is known. These preliminary results give an idea of the potential of site-specific isotope ratio analysis in the fight against patent infringement and drug counterfeiting

Preparation of folic acid specifically labeled with deuterium at the 3',5'-positions

International Nuclear Information System (INIS)

Gregory, J.F. III; Toth, J.P.

1988-01-01

A method was devised for the synthesis of 3', 5'-[ 2 H 2 ]folic acid (d 2 -folic acid) for use in studies of folate metabolism in human beings. Labeling was accomplished by catalytic dehalogenation of 3', 5'-dibromofolate with deuterium gas and palladium/carbon catalyst. d 2 -Folic acid was separated from reduced forms and residual 3'-monobromofolate by chromatography on DEAE-Sephadex. Analysis by proton NMR and mass spectrometry indicated 70-75% deuteration of the 3',5'-positions and lack of deuteration at other carbons. (author)

Deuterium oxide as a tool for the study of amino acid metabolism

International Nuclear Information System (INIS)

Mitra, R.; Burton, J.; Varner, J.E.

1976-01-01

We have used deuterium oxide in nontoxic concentrations to study, in intact seedlings, the biosynthesis of amino acids. The extent and pattern of deuteration, as determined by a gas--liquid chromatograph--mass spectrometer system, permits conclusions about the biosynthesis of individual amino acids and also about their exposure to transaminases and other enzymes that might introduce deuterium into specific positions of the amino acid by exchange. This method could be used to study amino acid biogenesis in any organism that can tolerate 20 to 40 percent deuterium oxide for a period of a few hours to a few days

Functional studies using NMR

International Nuclear Information System (INIS)

McCready, V.R.; Leach, M.O.; Sutton; Ell, P.

1986-01-01

The object of this book is to discuss and evaluate an area of Nuclear Magnetic Resonance which to date has been less emphasized than it might be, namely the use of NMR for functional studies. The book commences with a discussion of the areas in which the NMR techniques might be needed due to deficiencies in other techniques. The physics of NMR especially relating to functional measurement are then explained. Technical factors in producing functional images are discussed and the use of paramagnetic substances for carrying out flow studies are detailed. Particular attention is paid to specific studies in the various organs. The book ends with a survey of imaging in each organ and the relation of NMR images to other techniques such as ultrasound, nuclear medicine and X-rays

Deuterium and heavy water

International Nuclear Information System (INIS)

Vasaru, G.; Ursu, D.; Mihaila, A.; Szentgyorgyi, P.

1975-01-01

This bibliography on deuterium and heavy water contains 3763 references (1932-1974) from 43 sources of information. An author index and a subject index are given. The latter contains a list of 136 subjects, arranged in 13 main topics: abundance of deuterium , catalysts, catalytic exchange, chemical equilibria, chemical kinetics, deuterium and heavy water analysis, deuterium and heavy water properties, deuterium and heavy water separation, exchange reactions, general review, heavy water as moderator, isotope effects, synthesis of deuterium compounds

Thermally induced outdiffusion studies of deuterium in ceramic breeder blanket materials after irradiation

Energy Technology Data Exchange (ETDEWEB)

González, Maria, E-mail: maria.gonzalez@ciemat.es [LNF-CIEMAT, Materials for Fusion Group, Madrid (Spain); Carella, Elisabetta; Moroño, Alejandro [LNF-CIEMAT, Materials for Fusion Group, Madrid (Spain); Kolb, Matthias H.H.; Knitter, Regina [Karlsruhe Institute of Technology, Institute for Applied Materials (IAM-WPT), Karlsruhe (Germany)

2015-10-15

Highlights: • Surface defects in Lithium-based ceramics are acting as trapping centres for deuterium. • Ionizing radiation affects the deuterium sorption and desorption processes. • By extension, the release of the tritium produced in a fusion breeder will be effective. - Abstract: Based on a KIT–CIEMAT collaboration on the radiation damage effects of light ions sorption/desorption in ceramic breeder materials, candidate materials for the ITER EU TBM were tested for their outgassing behavior as a function of temperature and radiation. Lithium orthosilicate based pebbles with different metatitanate contents and pellets of the individual oxide components were exposed to a deuterium atmosphere at room temperature. Then the thermally induced release of deuterium gas was registered up to 800 °C. This as-received behavior was studied in comparison with that after exposing the deuterium-treated samples to 4 MGy total dose of gamma radiation. The thermal desorption spectra reveal differences in deuterium sorption/desorption behavior depending on the composition and the induced ionizing damage. In these breeder candidates, strong desorption rate at approx. 300 °C takes place, which slightly increases with increasing amount of the titanate second phase. For all studied materials, ionizing radiation induces electronic changes disabling a number of trapping centers for D{sub 2} adsorption.

Biosynthetic origin of acetic acid using SNIF-NMR

International Nuclear Information System (INIS)

Boffo, Elisangela Fabiana; Ferreira, Antonio Gilberto

2006-01-01

The main purpose of this work is to describe the use of the technique Site-Specific Natural Isotopic Fractionation of hydrogen (SNIF-NMR), using 2 H and 1 H NMR spectroscopy, to investigate the biosynthetic origin of acetic acid in commercial samples of Brazilian vinegar. This method is based on the deuterium to hydrogen ratio at a specific position (methyl group) of acetic acid obtained by fermentation, through different biosynthetic mechanisms, which result in different isotopic ratios. We measured the isotopic ratio of vinegars obtained through C 3 , C 4 , and CAM biosynthetic mechanisms, blends of C 3 and C 4 (agrins) and synthetic acetic acid. (author)

Enantiodiscrimination of flexible cyclic solutes using NMR spectroscopy in polypeptide chiral mesophases: investigation of cis-decalin and THF.

Science.gov (United States)

Aroulanda, Christie; Lafon, Olivier; Lesot, Philippe

2009-08-06

The conformational dynamics and orientational behavior of two model cyclic molecules, cis-decalin (cis-dec) and tetrahydrofurane (THF), dissolved in weakly ordering, polypeptidic chiral liquid crystals (CLCs) are theoretically discussed and experimentally investigated using deuterium and carbon-13 NMR spectroscopies. The analysis of enantiomeric and enantiotopic discriminations in these compounds is shown to depend on the rate of conformational exchange regime, slow or fast. The slow exchange regime is illustrated through the case of cis-dec at low temperature (243 K). We show that the deuterium NMR spectra in this regime can be qualitatively and quantitatively interpreted by restricting the conformational pathway of cis-dec to two enantiomeric conformers of C(2)-symmetry. The orientational order parameters of these interconverting enantiomers are calculated by matching the (2)H quadrupolar splittings with calculated conformer structures. The fast exchange regime is investigated through the examples of cis-dec at high temperature (356 K) and THF at room temperature (300 K). The (2)H NMR spectra above the coalescence temperature are analyzed by introducing the concept of "average molecular structure". This fictitious structure allows easily identifying NMR equivalences of solutes dissolved in CLC. However, it cannot be applied to determine consistent orientational order parameters. This study emphasizes that enantiotopic discriminations observed for flexible molecules in the fast exchange regime can be quantitatively interpreted only by considering the orientational order of each conformer.

Automatic NMR field-frequency lock-pulsed phase locked loop approach.

Science.gov (United States)

Kan, S; Gonord, P; Fan, M; Sauzade, M; Courtieu, J

1978-06-01

A self-contained deuterium frequency-field lock scheme for a high-resolution NMR spectrometer is described. It is based on phase locked loop techniques in which the free induction decay signal behaves as a voltage-controlled oscillator. By pulsing the spins at an offset frequency of a few hundred hertz and using a digital phase-frequency discriminator this method not only eliminates the usual phase, rf power, offset adjustments needed in conventional lock systems but also possesses the automatic pull-in characteristics that dispense with the use of field sweeps to locate the NMR line prior to closure of the lock loop.

Characterization of a deuterium-deuterium plasma fusion neutron generator

Science.gov (United States)

Lang, R. F.; Pienaar, J.; Hogenbirk, E.; Masson, D.; Nolte, R.; Zimbal, A.; Röttger, S.; Benabderrahmane, M. L.; Bruno, G.

2018-01-01

We characterize the neutron output of a deuterium-deuterium plasma fusion neutron generator, model 35-DD-W-S, manufactured by NSD/Gradel-Fusion. The measured energy spectrum is found to be dominated by neutron peaks at 2.2 MeV and 2.7 MeV. A detailed GEANT4 simulation accurately reproduces the measured energy spectrum and confirms our understanding of the fusion process in this generator. Additionally, a contribution of 14 . 1 MeV neutrons from deuterium-tritium fusion is found at a level of 3 . 5%, from tritium produced in previous deuterium-deuterium reactions. We have measured both the absolute neutron flux as well as its relative variation on the operational parameters of the generator. We find the flux to be proportional to voltage V 3 . 32 ± 0 . 14 and current I 0 . 97 ± 0 . 01. Further, we have measured the angular dependence of the neutron emission with respect to the polar angle. We conclude that it is well described by isotropic production of neutrons within the cathode field cage.

Deuterium - depleted water. Achievements and perspectives

International Nuclear Information System (INIS)

Titescu, Gh.; Stefanescu, I.; Saros-Rogobete, I.

2001-01-01

reproduction of fish with deuterium - depleted water fecundated solutions confirmed favourable influence in embryo growth stage and resistance in next growth stages; 5. it was studied germination, growth and quantitative character's variability in plants; one can remark the favourable influence of deuterium - depleted water on biological process in plants in various ontogenetic stages; 6. the deuterium depletion in seawater produces the diminution of the water spectral energy related to an increased metabolism of Tetraselmis suecica. Although the results obtained in Romania have a special scientific value, the application of these researches is in progress. We have to mention that at present all the amount of deuterium - depleted water produced at Rm. Valcea is exported to Hungary were it is used to produce drugs for the prevention and the treatment of cancer. (authors)

Deuterium-depleted water

International Nuclear Information System (INIS)

Stefanescu, Ion; Steflea, Dumitru; Saros-Rogobete, Irina; Titescu, Gheorghe; Tamaian, Radu

2001-01-01

Deuterium-depleted water represents water that has an isotopic content smaller than 145 ppm D/(D+H) which is the natural isotopic content of water. Deuterium depleted water is produced by vacuum distillation in columns equipped with structured packing made from phosphor bronze or stainless steel. Deuterium-depleted water, the production technique and structured packing are patents of National Institute of Research - Development for Cryogenics and Isotopic Technologies at Rm. Valcea. Researches made in the last few years showed the deuterium-depleted water is a biological active product that could have many applications in medicine and agriculture. (authors)

Deuterium labelling studies with unsaturated acids and nitriles

International Nuclear Information System (INIS)

Desai, U.V.; Mane, R.B.

1986-01-01

α-Deuteriated α,β-unsaturated acids have been prepared by Knoevenagel condensation of aldehydes with deuteriated malonic acid. The decarboxylation of α,β-unsaturated cyano acid with pyridine/D 2 O yields α- and γ-labelled nitriles. The deuterium incorporation is studied by pmr spectroscopy. (author). 8 refs

Deuterium and oxygen-18 abundance in birds: Implications for DLW energetics studies

International Nuclear Information System (INIS)

Tatner, P.

1990-01-01

The doubly labeled water (DLW) technique for measuring energy expenditure may employ one ( 18 O) or two ( 18 O and deuterium) stable isotopes as tracers. These occur naturally in the environment, so when they are used as tracers it is necessary to subtract the background levels. Few studies report data on background concentrations. This work provides such data for a range of avian species. Overall, there was a strong positive correlation (r = 0.63) between the 18 O and deuterium concentrations in birds' body water. Variation in the deuterium concentration was less extensive than in the 18 O concentration (1:2.7 parts/million). In the European robin, there was a linked, seasonal variation in 18 O and deuterium abundance producing high summer and low winter values. Throughout the year, a high individual variability was greater in 18 O than in deuterium. A difference between the European robin and the dipper suggests that habitat may also influence background abundance. Investigation of the effect of variation in background abundance on measures of energy expenditure for small passerines (20 g) revealed that employing estimates, instead of direct measurements, had a minor influence over an experimental period of 1 day but could potentially introduce errors as large as 54% over a 2-day period

Defect trapping of deuterium implanted in aluminium

International Nuclear Information System (INIS)

Kido, Y.; Kakeno, M.; Yamada, K.; Hioki, T.; Kawamoto, J.

1982-01-01

The behaviour of deuterium implanted in Al was studied by the D( 3 He,p) 4 He and the D(d,p)T nuclear reactions. Changes of the depth profiles of the deuterium after heat treatments indicated that the implanted deuterium was trapped by the defect produced during the deuterium implantation and the release probability of the trapped deuterium increased as the specimen temperature was raised. Assuming a thermal equilibrium locally in the region of high defect concentration, the trapping energy of deuterium in Al was determined to be 0.12eV. Since the release probability for the single crystal was considerably larger than that for the polycrystal specimens, the deuterium was considered to be strongly trapped in the grain boundaries. Distributions of displaced Al atoms and the recovery of the lattice damage by annealing were measured by the channelling technique. (author)

Wildcat: A commercial deuterium-deuterium tokamak reactor

International Nuclear Information System (INIS)

Evans, K.; Baker, C.C.; Barry, K.M.

1983-01-01

WILDCAT is a conceptual design of a catalyzed deuterium-deuterium tokamak commercial fusion reactor. WILDCAT utilizes the beneficial features of no tritium breeding, while not extrapolating unnecessarily from existing deuterium-tritium (D-T) designs. The reactor is larger and has higher magnetic fields and plasma pressures than typical D-T devices. It is more costly, but eliminates problems associated with tritium breeding and has tritium inventories and throughputs approximately two orders of magnitude less than typical D-T reactors. There are both a steady-state version with Alfven-wave current drive and a pulsed version. Extensive comparison with D-T devices has been made, and cost and safety analyses have been included. All of the major reactor systems have been worked out to a level of detail appropriate to a complete conceptual design

Deuterium-depleted water. Romanian achievements and perspective

International Nuclear Information System (INIS)

Stefanescu, Ion; Saros-Rogobete, Irina; Titescu, Gheorghe

2001-01-01

Deuterium-depleted water has an isotopic content smaller than 145 ppm D/(D+H) which is the natural isotopic content of water. Beginning with 1996 ICSI Rm. Valcea, deuterium-depleted water producer, co-operated with Romanian specialized institutes for biological effect's evaluation of deuterium-depleted water. These investigations lead to the following conclusions: - Deuterium-depleted water caused a tendency towards the increase of the basal tonus, accompanied by the intensification of the vasoconstrictor effects of phenylefrine, noradrenaline and angiotensin; the increase of the basal tonus and vascular reactivity produced by the deuterium-depleted water persist after the removal of the vascular endothelium; - Animals treated with deuterium-depleted water showed an increase of the resistance both to sublethal and to lethal gamma radiation doses, suggesting a radioprotective action; - Deuterium-depleted water stimulates immune defence reactions and increases the numbers of polymorphonuclear neutrophils; - Investigations regarding artificial reproduction of fish with deuterium-depleted water fecundated solutions confirmed favourable influence in embryo growth stage and resistance in subsequent growth stages; - It was studied germination, growth and quantitative character's variability in plants; one can remark the favourable influence of deuterium-depleted water on biological process in plants in various ontogenetic stages; - The deuterium depletion in seawater produces the diminution of the water spectral energy related to an increased metabolism of Tetraselmis Suecica. (authors)

Experimental demonstration of quantum contextuality on an NMR qutrit

Energy Technology Data Exchange (ETDEWEB)

Dogra, Shruti; Dorai, Kavita, E-mail: kavita@iisermohali.ac.in; Arvind

2016-05-20

We experimentally test quantum contextuality of a single qutrit using NMR. The contextuality inequalities based on nine observables developed by Kurzynski et al. are first reformulated in terms of traceless observables which can be measured in an NMR experiment. These inequalities reveal the contextuality of almost all single-qutrit states. We demonstrate the violation of the inequality on four different initial states of a spin-1 deuterium nucleus oriented in a liquid crystal matrix, and follow the violation as the states evolve in time. We also describe and experimentally perform a single-shot test of contextuality for a subclass of qutrit states whose density matrix is diagonal in the energy basis. - Highlights: • A contextuality inequality for a single qutrit was designed using traceless observables. • The violation of the inequality was experimentally demonstrated using NMR. • A single-shot test was experimentally performed for a subclass of diagonal qutrit states.

Experimental demonstration of quantum contextuality on an NMR qutrit

International Nuclear Information System (INIS)

Dogra, Shruti; Dorai, Kavita; Arvind

2016-01-01

We experimentally test quantum contextuality of a single qutrit using NMR. The contextuality inequalities based on nine observables developed by Kurzynski et al. are first reformulated in terms of traceless observables which can be measured in an NMR experiment. These inequalities reveal the contextuality of almost all single-qutrit states. We demonstrate the violation of the inequality on four different initial states of a spin-1 deuterium nucleus oriented in a liquid crystal matrix, and follow the violation as the states evolve in time. We also describe and experimentally perform a single-shot test of contextuality for a subclass of qutrit states whose density matrix is diagonal in the energy basis. - Highlights: • A contextuality inequality for a single qutrit was designed using traceless observables. • The violation of the inequality was experimentally demonstrated using NMR. • A single-shot test was experimentally performed for a subclass of diagonal qutrit states.

Effect of Coulomb screening on deuterium-deuterium fusion cross-section

International Nuclear Information System (INIS)

Wang Shunjin

1991-01-01

The popular Gamow formula for the deuterium-deuterium fusion cross-section is generalized to take into account the Coulomb screening effect. The generalized formula has been used to discuss the fusion process occurring in the metal medium

Functional studies using NMR

International Nuclear Information System (INIS)

McCready, V.R.; Leach, M.; Ell, P.J.

1987-01-01

This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

Deuterium nuclear magnetic resonance studies on the plasmalogens and the glycerol acetals of plasmalogens of Clostridium butyricum and Clostridium beijerinckii

International Nuclear Information System (INIS)

Malthaner, M.; Seelig, J.; Johnston, N.C.; Goldfine, H.

1987-01-01

Deuterium nuclear magnetic resonance was used to investigate the structure of different lipid fractions isolated from the anaerobic bacteria Clostridium butyricum and Clostridium beijerinckii. The fractions isolated from C. butyricum were (1) phosphatidylethanolamine/plasmenylethanolamine and (2) the glycerol acetal of plasmenylethanolamine, and from C. beijerinckii similar fractions containing principally (1) phosphatidyl-N-monomethylethanolamine, along with its plasmalogen, and (2) the glycerol acetal of this plasmalogen were isolated. The third fraction from both species consisted largely of the acidic lipids phosphatidylglycerol and cardiolipin along with plasmalogen forms of these lipids. Palmitic acid with deuterium labels at C-2, C-3, or C-4 or oleic acid with deuterium labels at C-2 and C-9,10 was added to the growth medium and incorporated to various extents in the lipid fractions. Biochemical analysis showed that palmitic acid and oleic acid were preferentially bound to the sn-2 and sn-1 positions, respectively, of the glycerol backbone when both fatty acids were added to the medium. From the 2 H NMR spectra, the hydrocarbon chain ordering near the lipid-water interface could be determined and appeared to be similar for all three lipid fractions. The deuterium quadrupole splitting and order parameter were low at the C-2 segment and increased by almost a factor of 2 at positions C-3 and C-4 for cells fed with deuteriated palmitic acid along with unlabeled oleic acid. These results agree with previous findings on pure diacyl lipids in which the sn-2 chain was found to adopt a bent conformation at the carbon segment C-2. However, two unusual quadrupole splittings could be detected for the plasmalogens. By comparison with other model systems it could be concluded that the double bond is aligned essentially parallel with the long axis of the hydrocarbon chains

Deuterium exchange between hydrofluorocarbons and amines

International Nuclear Information System (INIS)

Hammond, W.B.; Bigeleisen, J.; Tuccio, S.A.

1983-01-01

The invention consists of a process for obtaining a compound enriched in deuterium which comprises the known method of exposing a gaseous hydrofluorocarbon to infrared laser radiation of a predetermined frequency to selectively cause a chemical reaction involving hydrofluorocarbon molecules containing deuterium without substantially affecting hydrofluorocarbon molecules not containing deuterium, thereby producing, as reaction products, a compound enriched in deuterium and hydrofluorocarbon depleted in deuterium; combined with a new method, which comprises enriching the deuterium content of the depleted hydrofluorocarbon by contacting the depleted hydrofluorocarbon with an alkali metal amide and an amine having a concentration of deuterium at least that which will yield an increase in deuterium concentration of the hydrofluorocarbon upon equilibration, whereby the amine becomes depleted in deuterium

Deuterium and phosphorus-31 nuclear magnetic resonance study of the interaction of melittin with dimyristoylphosphatidylcholine bilayers and the effects of contaminating phospholipase A2

International Nuclear Information System (INIS)

Dempsey, C.E.; Watts, A.

1987-01-01

The interaction of bee venom melittin with dimyristoylphosphatidylcholine (DMPC) selectively deuteriated in the choline head group has been studied by deuterium and phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy. The action of residual phospholipase A 2 in melittin samples resulted in mixtures of DMPC and its hydrolytic products that underwent reversible transitions at temperatures between 30 and 35 0 C from extended bilayers to micellar particles which gave narrow single-line deuterium and phosphorus-31 NMR spectra. Similar transitions were observed in DMPC-myristoyllysophosphatidylcholine (lysoPC)-myristic acid mixtures containing melittin but not in melittin-free mixtures, indicating that melittin is able to stabilize extended bilayers containing DMPC and its hydrolytic products in the liquid-crystalline phase. Melittin, free of phospholipase A 2 activity, and at 3-5 mol % relative to DMPC, induced reversible transitions between extended bilayers and micellar particles on passing through the liquid-crystalline to gel phase transition temperature of the lipid, effects similar to those observed in melittin-acyl chain deuteriated dipalmitoylphosphatidylcholine (DPPC) mixtures. LysoPC at concentrations of 20 mol % or greater relative to DMPC induced transitions between extended bilayers and micellar particles with characteristics similar to those induced by melittin. It is proposed that these melittin- and lysoPC-induced transitions share similar mechanisms. The effects of melittin on the quadrupole splittings and T 1 relaxation times of head-group-deuteriated DMPC in the liquid-crystalline phase share features similar to the effects of metal ions on DPPC head groups, indicating that the conformational properties of the choline head group in PC bilayers may be affected by melittin and by metal ions in a similar manner

Quantification of protein backbone hydrogen-deuterium exchange rates by solid state NMR spectroscopy

International Nuclear Information System (INIS)

Lopez del Amo, Juan-Miguel; Fink, Uwe; Reif, Bernd

2010-01-01

We present the quantification of backbone amide hydrogen-deuterium exchange rates (HDX) for immobilized proteins. The experiments make use of the deuterium isotope effect on the amide nitrogen chemical shift, as well as on proton dilution by deuteration. We find that backbone amides in the microcrystalline α-spectrin SH3 domain exchange rather slowly with the solvent (with exchange rates negligible within the individual 15 N-T 1 timescales). We observed chemical exchange for 6 residues with HDX exchange rates in the range from 0.2 to 5 s -1 . Backbone amide 15 N longitudinal relaxation times that we determined previously are not significantly affected for most residues, yielding no systematic artifacts upon quantification of backbone dynamics (Chevelkov et al. 2008b). Significant exchange was observed for the backbone amides of R21, S36 and K60, as well as for the sidechain amides of N38, N35 and for W41ε. These residues could not be fit in our previous motional analysis, demonstrating that amide proton chemical exchange needs to be considered in the analysis of protein dynamics in the solid-state, in case D 2 O is employed as a solvent for sample preparation. Due to the intrinsically long 15 N relaxation times in the solid-state, the approach proposed here can expand the range of accessible HDX rates in the intermediate regime that is not accessible so far with exchange quench and MEXICO type experiments.

Producing deuterium-enriched products

International Nuclear Information System (INIS)

1980-01-01

A method of producing an enriched deuterium product from a gaseous feed stream of mixed hydrogen and deuterium, comprises: (a) combining the feed stream with gaseous bromine to form a mixture of the feed stream and bromine and exposing the mixture to an electrical discharge effective to form deuterium bromide and hydrogen bromide with a ratio of D/H greater than the ratio of D/H in the feed stream; and (b) separating at least a portion of the hydrogen bromide and deuterium bromide from the mixture. (author)

NMR studies of isotopically labeled RNA

Energy Technology Data Exchange (ETDEWEB)

Pardi, A. [Univ. of Colorado, Boulder, CO (United States)

1994-12-01

In summary, the ability to generate NMR quantities of {sup 15}N and {sup 13}C-labeled RNAs has led to the development of heteronuclear multi-dimensional NMR techniques for simplifying the resonance assignment and structure determination of RNAs. These methods for synthesizing isotopically labeled RNAs are only several years old, and thus there are still relatively few applications of heteronuclear multi-dimensional NMR techniques to RNA. However, given the critical role that RNAs play in cellular function, one can expect to see an increasing number of NMR structural studies of biologically active RNAs.

Deuterium and phosphorus-31 nuclear magnetic resonance study of the interaction of melittin with dimyristoylphosphatidylcholine bilayers and the effects of contaminating phospholipase A/sub 2/

Energy Technology Data Exchange (ETDEWEB)

Dempsey, C.E.; Watts, A.

1987-09-08

The interaction of bee venom melittin with dimyristoylphosphatidylcholine (DMPC) selectively deuteriated in the choline head group has been studied by deuterium and phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy. The action of residual phospholipase A/sub 2/ in melittin samples resulted in mixtures of DMPC and its hydrolytic products that underwent reversible transitions at temperatures between 30 and 35/sup 0/C from extended bilayers to micellar particles which gave narrow single-line deuterium and phosphorus-31 NMR spectra. Similar transitions were observed in DMPC-myristoyllysophosphatidylcholine (lysoPC)-myristic acid mixtures containing melittin but not in melittin-free mixtures, indicating that melittin is able to stabilize extended bilayers containing DMPC and its hydrolytic products in the liquid-crystalline phase. Melittin, free of phospholipase A/sub 2/ activity, and at 3-5 mol % relative to DMPC, induced reversible transitions between extended bilayers and micellar particles on passing through the liquid-crystalline to gel phase transition temperature of the lipid, effects similar to those observed in melittin-acyl chain deuteriated dipalmitoylphosphatidylcholine (DPPC) mixtures. LysoPC at concentrations of 20 mol % or greater relative to DMPC induced transitions between extended bilayers and micellar particles with characteristics similar to those induced by melittin. It is proposed that these melittin- and lysoPC-induced transitions share similar mechanisms. The effects of melittin on the quadrupole splittings and T/sub 1/ relaxation times of head-group-deuteriated DMPC in the liquid-crystalline phase share features similar to the effects of metal ions on DPPC head groups, indicating that the conformational properties of the choline head group in PC bilayers may be affected by melittin and by metal ions in a similar manner.

Influence of tungsten microstructure and ion flux on deuterium plasma-induced surface modifications and deuterium retention

NARCIS (Netherlands)

Buzi, L.; De Temmerman, G.; Unterberg, B.; M. Reinhart,; Dittmar, T.; Matveev, D.; Linsmeier, C.; Breuer, U.; Kreter, A.; Van Oost, G.

2015-01-01

The influence of surface temperature, particle flux density and material microstructure on the surface morphology and deuterium retention was studied by exposing tungsten targets (20 μm and 40 μm grain size) to deuterium plasma at the same particle fluence (1026 m−2) and

13C nuclear magnetic resonance data of lanosterol derivatives—Profiling the steric topology of the steroid skeleton via substituent effects on its 13C NMR

Science.gov (United States)

Dias, Jerry Ray; Gao, Hongwu

2009-12-01

The 13C NMR spectra of over 24 tetracyclic triterpenoid derivatives have been structurally analyzed. The 13C NMR chemical shifts allow one to probe the steric topology of the rigid steroid skeleton and inductive effects of its substituents. Use of deuterium labeling in chemical shift assignment and B-ring aromatic terpenoids are also featured.

Fine target of deuterium

International Nuclear Information System (INIS)

Diaz Diaz, J.; Granados Gonzalez, C. E.; Gutierrez Bernal, R.

1959-01-01

A fine target of deuterium on a tantalum plate by the absorption method is obtained. In order to obtain the de gasification temperature an induction generator of high frequency is used and the deuterium pass is regulated by means of a palladium valve. Two vacuum measures are available, one to measure the high vacuum in the de gasification process of the tantalum plate and the other, for low vacuum, to measure the deuterium inlet in the installation and the deuterium pressure change in the installation after the absorption in the tantalum plate. A target of 48 μ gr/cm 2 thick is obtained. (Author) 1 refs

NMR spectroscopic determination of an equilibrium isotope effect on the hydration of cobalt(II)

International Nuclear Information System (INIS)

Evilia, R.F.; Saunders, M.

1985-01-01

A recently reported NMR method for the measurement of deuterium equilibrium isotope effects is applied to the hydration of the paramagnetic cobalt(II) ion. An isotope effect of about 1.3% is measured. A substantial difference between the intrinsic shift of H 2 O and D 2 O when coordinated to cobalt is also measured

Comparative study of heavy and deuterium-depleted water on platelet aggregation

International Nuclear Information System (INIS)

Haulica, I.; Neagu, B.; Boisteanu, C.P.; Bild, W.; Mihaila, C.; Bajenariu, M.

2000-01-01

The effects of timed incubation of PRP (Platelet-Rich Plasma) with various concentrations of deuterium-depleted or deuterated water were tested. Aggregation curves were obtained under constant stirring at 20 deg.C and at 37 deg.C, using 5 - 10 μM ADP as aggregation trigger, using a Specord photo colorimeter. Incubation with 10 % deuterated water showed a significant decrease in the aggregation curves, an effect consistent with the data in the literature. Incubation with deuterium depleted water in the same conditions showed a marked increase in the aggregation curves, which suggests a powerful pro-aggregating effect of deuterium depleted water. (authors)

Distribution of deuterium and hydrogen in Zr and Ti foil assemblies under the action of a pulsed deuterium high-temperature plasma

Science.gov (United States)

Bondarenko, G. G.; Volobuev, I. V.; Eriskin, A. A.; Kobzev, A. P.; Nikulin, V. Ya.; Peregudova, E. N.; Silin, P. V.; Borovitskaya, I. V.

2017-09-01

Deuteron and proton elastic recoil detection analysis is used to study the accumulation and redistribution of deuterium and hydrogen in assemblies of two high-pure zirconium or titanium foils upon pulsed action of high-temperature deuterium plasma (PHTDP) in a plasma-focus installation PF-4. It is noted that, under the action of PHTDP, an implanted deuterium and hydrogen gas impurity are redistributed in the irradiated foils in large depths, which are significantly larger than the deuterium ion free paths (at their maximum velocity to 108 cm/s). The observed phenomenon is attributed to the carrying out of implanted deuterium and hydrogen under the action of powerful shock waves formed in the metallic foils under the action of PHTDP and/or the acceleration of diffusion of deuterium and hydrogen atoms under the action of a compression-rarefaction shock wave at the shock wave front with the redistribution of deuterium and hydrogen to large depths.

Radiation damage and deuterium trapping in deuterium-ion-irradiated Fe–9Cr alloy

Energy Technology Data Exchange (ETDEWEB)

Iwakir, Hirotomo, E-mail: iwakiri@edu.u-ryukyu.ac.jp [Faculty and Graduate School of Education, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan); Tani, Munechika [Interdisciplinary Graduate School of Engineering Sciences, Kyusyu University, Kasuga, Fukuoka 816-8580 (Japan); Watanabe, Yoshiyuki [Japan Atomic Energy Agency, Rokkasho, Aomori 039-3212 (Japan); Yoshida, Naoaki [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan)

2014-01-15

Thermal desorption of deuterium (D{sub 2}) from deuterium-ion (D{sub 2}{sup +})-irradiated Fe–9Cr was correlated with the microstructural evolution of the alloy during irradiation with 8-keV D{sub 2}{sup +} ions following annealing to determine the retention and desorption behavior of the implanted deuterium and to identify effective traps for them, particularly at high temperature. After irradiation at 573 K, a new desorption stage formed between 650 and 1100 K at higher fluences, and cavities were observed using transmission electron microscopy. The total amount of trapped deuterium following irradiation with a fluence of 3.0 × 10{sup 22} ions/m{sup 2} was 6.8 × 10{sup 17} D{sub 2}/m{sup 2}, or approximately 0.007%. These results indicate that the deuterium atoms recombined to form D{sub 2} molecules at the surfaces of the cavities.

Point design for deuterium-deuterium compact reversed-field pinch reactors

International Nuclear Information System (INIS)

Dabiri, A.E.; Dobrott, D.R.; Gurol, H.; Schnack, D.D.

1984-01-01

A deuterium-deuterium (D-D) reversed-field pinch (RFP) reactor may be made comparable in size and cost to a deuterium-tritium (D-T) reactor at the expense of high-thermal heat load to the first wall. This heat load is the result of the larger percentage of fusion power in charged particles in the D-D reaction as compared to the D-T reaction. The heat load may be reduced by increasing the reactor size and hence the cost. In addition to this ''degraded'' design, the size may be kept small by means of a higher heat load wall, or by means of a toroidal divertor, in which case most of the heat load seen by the wall is in the form of radiation. Point designs are developed for these approaches and cost studies are performed and compared with a D-T reactor. The results indicate that the cost of electricity of a D-D RFP reactor is about20% higher than a D-T RFP reactor. This increased cost could be offset by the inherent safety features of the D-D fuel cycle

Deuterium trapping in tungsten

Science.gov (United States)

Poon, Michael

Tungsten is one of the primary material candidates being investigated for use in the first-wall of a magnetic confinement fusion reactor. An ion accelerator was used to simulate the type of ion interaction that may occur at a plasma-facing material. Thermal desorption spectroscopy (TDS) was the primary tool used to analyze the effects of the irradiation. Secondary ion mass spectroscopy (SIMS) was used to determine the distribution of trapped D in the tungsten specimen. The tritium migration analysis program (TMAP) was used to simulate thermal desorption profiles from the D depth distributions. Fitting of the simulated thermal desorption profiles with the measured TDS results provided values of the D trap energies. Deuterium trapping in single crystal tungsten was studied as a function of the incident ion fluence, ion flux, irradiation temperature, irradiation history, and surface impurity levels during irradiation. The results show that deuterium was trapped at vacancies and voids. Two deuterium atoms could be trapped at a tungsten vacancy, with trapping energies of 1.4 eV and 1.2 eV for the first and second D atoms, respectively. In a tungsten void, D is trapped as atoms adsorbed on the inner walls of the void with a trap energy of 2.1 eV, or as D2 molecules inside the void with a trap energy of 1.2 eV. Deuterium trapping in polycrystalline tungsten was also studied as a function of the incident fluence, irradiation temperature, and irradiation history. Deuterium trapping in polycrystalline tungsten also occurs primarily at vacancies and voids with the same trap energies as in single crystal tungsten; however, the presence of grain boundaries promotes the formation of large surface blisters with high fluence irradiations at 500 K. In general, D trapping is greater in polycrystalline tungsten than in single crystal tungsten. To simulate mixed materials comprising of carbon (C) and tungsten, tungsten specimens were pre-irradiated with carbon ions prior to D

Deuterium trapping in tungsten

International Nuclear Information System (INIS)

Poon, M.

2004-01-01

Tungsten is one of the primary material candidates being investigated for use in the first-wall of a magnetic confinement fusion reactor. An ion accelerator was used to simulate the type of ion interaction that may occur at a plasma-facing material. Thermal desorption spectroscopy (TDS) was the primary tool used to analyze the effects of the irradiation Secondary ion mass spectroscopy (SIMS) was used to determine the distribution of trapped D in the tungsten specimen. The tritium migration analysis program (TMAP) was used to simulate thermal desorption profiles from the D depth distributions. Fitting of the simulated thermal desorption profiles with the measured TDS results provided values of the D trap energies. . Deuterium trapping in single crystal tungsten was studied as a function of the incident ion fluence, ion flux, irradiation temperature, irradiation history, and surface impurity levels during irradiation The results show that deuterium was trapped at vacancies and voids. Two deuterium atoms could be trapped at a tungsten vacancy, with trapping energies of 1.4 eV and 1.2 eV for the first and second D atoms, respectively. In a tungsten void, D is trapped as atoms adsorbed on the inner walls of the void with a trap energy of 2.1 eV, or as D 2 molecules inside the void with a trap energy of 1.2 eV. . Deuterium trapping in polycrystalline tungsten was also studied as a function of the incident fluence, irradiation temperature, and irradiation history. Deuterium trapping in polycrystalline tungsten also occurs primarily at vacancies and voids with the same trap energies as in single crystal tungsten; however, the presence of grain boundaries promotes the formation of large surface blisters with high fluence irradiations at 500 K. In general, D trapping is greater in polycrystalline tungsten than in single crystal tungsten. To simulate mixed materials comprising of carbon (C) and tungsten, tungsten specimens were pre-irradiated with carbon ions prior to D

Deuterium trapping in tungsten

Energy Technology Data Exchange (ETDEWEB)

Poon, M

2004-07-01

Tungsten is one of the primary material candidates being investigated for use in the first-wall of a magnetic confinement fusion reactor. An ion accelerator was used to simulate the type of ion interaction that may occur at a plasma-facing material. Thermal desorption spectroscopy (TDS) was the primary tool used to analyze the effects of the irradiation Secondary ion mass spectroscopy (SIMS) was used to determine the distribution of trapped D in the tungsten specimen. The tritium migration analysis program (TMAP) was used to simulate thermal desorption profiles from the D depth distributions. Fitting of the simulated thermal desorption profiles with the measured TDS results provided values of the D trap energies. . Deuterium trapping in single crystal tungsten was studied as a function of the incident ion fluence, ion flux, irradiation temperature, irradiation history, and surface impurity levels during irradiation The results show that deuterium was trapped at vacancies and voids. Two deuterium atoms could be trapped at a tungsten vacancy, with trapping energies of 1.4 eV and 1.2 eV for the first and second D atoms, respectively. In a tungsten void, D is trapped as atoms adsorbed on the inner walls of the void with a trap energy of 2.1 eV, or as D{sub 2} molecules inside the void with a trap energy of 1.2 eV. . Deuterium trapping in polycrystalline tungsten was also studied as a function of the incident fluence, irradiation temperature, and irradiation history. Deuterium trapping in polycrystalline tungsten also occurs primarily at vacancies and voids with the same trap energies as in single crystal tungsten; however, the presence of grain boundaries promotes the formation of large surface blisters with high fluence irradiations at 500 K. In general, D trapping is greater in polycrystalline tungsten than in single crystal tungsten. To simulate mixed materials comprising of carbon (C) and tungsten, tungsten specimens were pre-irradiated with carbon ions prior to D

Modelling third harmonic ion cyclotron acceleration of deuterium beams for JET fusion product studies experiments

DEFF Research Database (Denmark)

Schneider, M.; Johnson, T.; Dumont, R.

2016-01-01

Recent JET experiments have been dedicated to the studies of fusion reactions between deuterium (D) and Helium-3 (3He) ions using neutral beam injection (NBI) in synergy with third harmonic ion cyclotron radio-frequency heating (ICRH) of the beam. This scenario generates a fast ion deuterium tail...... enhancing DD and D3He fusion reactions. Modelling and measuring the fast deuterium tail accurately is essential for quantifying the fusion products. This paper presents the modelling of the D distribution function resulting from the NBI+ICRF heating scheme, reinforced by a comparison with dedicated JET fast...

Deuterium high pressure target

International Nuclear Information System (INIS)

Perevozchikov, V.V.; Yukhimchuk, A.A.; Vinogradov, Yu.I.

2001-01-01

The design of the deuterium high-pressure target is presented. The target having volume of 76 cm 3 serves to provide the experimental research of muon catalyzed fusion reactions in ultra-pure deuterium in the temperature range 80-800 K under pressures of up to 150 MPa. The operation of the main systems of the target is described: generation and purification of deuterium gas, refrigeration, heating, evacuation, automated control system and data collection system

Deuterium behavior in first-wall materials for nuclear fusion

International Nuclear Information System (INIS)

Bernard, E.

2012-01-01

Plasma-wall interactions play an important part while choosing materials for the first wall in future fusion reactors. Moreover, the use of tritium as a fuel will impose safety limits regarding the total amount present in the tokamak. Previous analyses of first-wall samples exposed to fusion plasma highlighted an in-bulk migration of deuterium (as an analog to tritium) in carbon materials. Despite its limited value, this retention is problematic: contrary to co-deposited layers, it seems very unlikely to recover easily the deuterium retained in such a way. Because of the difficult access to in situ samples, most published studies on the subject were carried out using post-mortem sample analysis. In order to access to the dynamic of the phenomenon and come apart potential element redistribution during storage, we set up a bench intended for simultaneous low-energy ion implantation, reproducing the deuterium interaction with first-wall materials, and high-energy micro beam analysis. Nuclear reaction analysis performed at the micrometric scale (μNRA) allows to characterize deuterium repartition profiles in situ. This analysis technique was confirmed to be non-perturbative of the mechanisms studied. We observed on the experimental data set that the material surface (0-1 μm) display a high and nearly constant deuterium content, with a uniform distribution. On the contrary, in-bulk deuterium (1-11 μm) localizes in preferential trapping sites related to the material microstructure. In-bulk deuterium inventory seems to increase with the incident fluence, in spite of the wide data scattering attributed to the structure variation of studied areas. Deuterium saturation at the surface as well as in-depth migration are instantaneous; in-vacuum storage leads to a small deuterium global desorption. Observations made via μNRA were coupled with results from other characterization techniques. X-ray μtomography allowed to identify porosities as the preferential trapping sites

Catalyzed deuterium fueled tokamak reactors

International Nuclear Information System (INIS)

Southworth, F.H.

1977-01-01

Catalyzed deuterium fuel presents several advantages relative to D-T. These are, freedom from tritium breeding, high charged particle power fraction and lowered neutron energy deposition in the blanket. Higher temperature operation, lower power densities and increased confinement are simultaneously required. However, the present study has developed designs which have capitalized upon the advantages of catalyzed deuterium to overcome the difficulties associated with the fuel while obtaining high efficiency

Erosion and deuterium retention of CLF-1 steel exposed to deuterium plasma

Science.gov (United States)

Qiao, L.; Wang, P.; Hu, M.; Gao, L.; Jacob, W.; Fu, E. G.; Luo, G. N.

2017-12-01

In recent years reduced activation ferritic martensitic steel has been proposed as the plasma-facing material in remote regions of the first wall. This study reports the erosion and deuterium retention behaviours in CLF-1 steel exposed to deuterium (D) plasma in a linear experimental plasma system as function of incident ion energy and fluence. The incident D ion energy ranges from 30 to 180 eV at a flux of 4 × 1021 D m-2 s-1 up to a fluence of 1025 D m-2. SEM images revealed a clear change of the surface morphology as functions of incident fluence and impinging energy. The mass loss results showed a decrease of the total sputtering yield of CLF-1 steel with increasing incident fluence by up to one order of magnitude. The total sputtering yield of CLF-1 steel after 7.2 × 1024 D m-2 deuterium plasma exposure reduced by a factor of 4 compared with that of pure iron, which can be attributed to the enrichment of W at the surface due to preferential sputtering of iron and chromium. After D plasma exposure, the total deuterium retention in CLF-1 steel samples measured by TDS decreased with increasing incident fluence and energy, and a clear saturation tendency as function of incident fluence or energy was also observed.

Deuterium isotope effects on 13C and 15N chemical shifts of intramolecularly hydrogen-bonded enaminocarbonyl derivatives of Meldrum’s and Tetronic acid

Science.gov (United States)

Ullah, Saif; Zhang, Wei; Hansen, Poul Erik

2010-07-01

Secondary deuterium isotope effects on 13C and 15N nuclear shieldings in a series of cyclic enamino-diesters and enamino-esters and acyclic enaminones and enamino-esters have been examined and analysed using NMR and DFT (B3LYP/6-31G(d,p)) methods. One-dimensional and two-dimensional NMR spectra of enaminocarbonyl and their deuterated analogues were recorded in CDCl 3 and CD 2Cl 2 at variable temperatures and assigned. 1JNH coupling constants for the derivatives of Meldrum's and tetronic acids reveal that they exist at the NH-form. It was demonstrated that deuterium isotope effects, for the hydrogen bonded compounds, due to the deuterium substitution at the nitrogen nucleus lead to large one-bond isotope effects at nitrogen, 1Δ 15N(D), and two-bond isotope effects on carbon nuclei, 2ΔC(ND), respectively. A linear correlations exist between 2ΔC(ND) and 1Δ 15N(D) whereas the correlation with δNH is divided into two. A good agreement between the experimentally observed 2ΔC(ND) and calculated dσ 13C/dR NH was obtained. A very good correlation between calculated NH bond lengths and observed NH chemical shifts is found. The observed isotope effects are shown to depend strongly on Resonance Assisted Hydrogen bonding.

Method of deuterium isotope separation and enrichment

International Nuclear Information System (INIS)

Benson, S.W.

1978-01-01

A method of separating deuterium, i.e., heavy hydrogen, from certain naturally occurring sources using tuned infrared lasers to selectively decompose specified classes of organic molecules (i.e., RX) into enriched molecular products containing deuterium atoms is described. The deuterium containing molecules are easily separated from the starting material by absorption, distillation or other simple chemical separation techniques and methods. After evaporation such deuterium containing molecules can be burned to form water with an enriched deuterium content or pyrolyzed to form hydrogen gas with an enriched deuterium content. The undecomposed molecules and the other reaction products which are depleted of their deuterium containing species can be catalytically treated, preferably using normal water, to restore the natural abundance of deuterium and such restored molecules can then be recycled

NMR techniques in the study of cardiovascular structure and functions

International Nuclear Information System (INIS)

Osbakken, M.; Haselgrove, J.

1987-01-01

The chapter titles of this book are: Introduction to NMR Techniques;Theory of NMR Probe Design;Overview of Magnetic Resonance Imaging to Study the Cardiovascular System;Vascular Anatomy and Physiology Studied with NMR Techniques;Assessment of Myocardial Ischemia and Infarction by Nuclear Magnetic Resonance Imaging;The Use of MRI in Congenital Heart Disease;Cardiomyopathies and Myocarditis Studied with NMR Techniques;Determination of Myocardial Mechanical Function with Magnetic Resonance Imaging Techniques;Determination of Flow Using NMR Techniques;The Use of Contrast Agents in Cardiac MRI;Can Cardiovascular Disease Be Effectively Evaluated with NMR Spectroscopy? NMR Studies of ATP Synthesis Reactions in the Isolated Heart;Studies of Intermediary Metabolism in the Heart by 13C NMR Spectroscopy;23Na and 39K NMR Spectroscopic Studies of the Intact Beating Heart;and Evaluation of Skeletal Muscle Metabolism in Patients with Congestive Heart Failure Using Phosphorus Nuclear Magnetic Resonance

Molecular dynamics simulations on PGLa using NMR orientational constraints

Energy Technology Data Exchange (ETDEWEB)

Sternberg, Ulrich, E-mail: ulrich.sternberg@partner.kit.edu; Witter, Raiker [Tallinn University of Technology, Technomedicum (Estonia)

2015-11-15

NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide.

Creatine Supplementation Increases Total Body Water in Soccer Players: a Deuterium Oxide Dilution Study.

Science.gov (United States)

Deminice, R; Rosa, F T; Pfrimer, K; Ferrioli, E; Jordao, A A; Freitas, E

2016-02-01

This study aimed to evaluate changes in total body water (TBW) in soccer athletes using a deuterium oxide dilution method and bioelectrical impedance (BIA) formulas after 7 days of creatine supplementation. In a double-blind controlled manner, 13 healthy (under-20) soccer players were divided randomly in 2 supplementation groups: Placebo (Pla, n=6) and creatine supplementation (CR, n=7). Before and after the supplementation period (0.3 g/kg/d during 7 days), TBW was determined by deuterium oxide dilution and BIA methods. 7 days of creatine supplementation lead to a large increase in TBW (2.3±1.0 L) determined by deuterium oxide dilution, and a small but significant increase in total body weight (1.0±0.4 kg) in Cr group compared to Pla. The Pla group did not experience any significant changes in TBW or body weight. Although 5 of 6 BIA equations were sensitive to determine TBW changes induced by creatine supplementation, the Kushner et al. 16 method presented the best concordance levels when compared to deuterium dilution method. In conclusion, 7-days of creatine supplementation increased TBW determined by deuterium oxide dilution or BIA formulas. BIA can be useful to determine TBW changes promoted by creatine supplementation in soccer athletes, with special concern for formula choice. © Georg Thieme Verlag KG Stuttgart · New York.

The study of the deuterium isotopic fractionation through the cell membrane of the plant

International Nuclear Information System (INIS)

Berdea, P.; Cuna, Stela; Deliu, C.

2002-01-01

The purpose of this study is to prove that there is a water deuterium isotope fractionation when the water passes through the cell membrane. The carrots (Daucus carota) were grown in vitro in a Murashige and Skoog mineral-salt medium and have been exposed to a water solution with a uniform isotopic content. After seven days the cell culture was filtered and the cell water was vacuum extracted. The water from aqueous solution and the cell water were analyzed for hydrogen by isotope ratio mass spectrometry. The procedure was repeated for 14 and 21 day old cell cultures. The measurements have revealed a water deuterium isotopic fractionation between extra-cellular water and cellular water. The deuterium content was found to be higher within the cells by 10 o / oo for non-embryonic cells and 13 o / oo for the embryonic cells. This fractionation is a non-evaporative fractionation between intracellular and extra-cellular water and it represents a new step in the overall fractionation of deuterium water in the plants. The existence of such isotopic fractionation through the cell membrane implies that the relationship between the deuterium content of cellulose nitrate in plant and meteoric water should be revised. Also, this finding is of interest for understanding the balance and dynamics of the hydrogen isotopes in the environment. (authors)

Equilibrium deuterium isotope effect of surprising magnitude

International Nuclear Information System (INIS)

Goldstein, M.J.; Pressman, E.J.

1981-01-01

Seemingly large deuterium isotope effects are reported for the preference of deuterium for the α-chloro site to the bridgehead or to the vinyl site in samples of anti-7-chlorobicyclo[4.3.2]undecatetraene-d 1 . Studies of molecular models did not provide a basis for these large equilibrium deuterium isotope effects. The possibility is proposed that these isotope effects only appear to be large for want of comparison with isotope effects measured for molecules that might provide even greater contrasts in local force fields

Liquid hydrogen and deuterium targets; Cibles a hydrogene et deuterium liquides

Energy Technology Data Exchange (ETDEWEB)

Bougon, M; Marquet, M; Prugne, P [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

1961-07-01

A description is given of 1) Atmospheric pressure target: liquid hydrogen, 400 mm thickness; thermal insulation: styrofoam; the hydrogen vapors are used to improve the target cooling; Mylar windows. 2) Vacuum target: 12 liter content: hydrogen or deuterium; liquid thickness 400 mm; thermal insulation is afforded by a vacuum vessel and a liquid nitrogen shield. Recovery and liquefaction of deuterium vapors are managed in the vacuum vessel which holds the target. The target emptying system is designed for operating in a few minutes. (author) [French] Description de: 1) Cible a pression atmospherique; hydrogene liquide, 400 mm d'epaisseur; l'isolement thermique: styrofoam; on utilise les vapeurs d'hydrogene pour ameliorer le refroidissement de la cible; hublots en Mylar. 2) Cible sous vide; contenance 12 litres; hydrogene ou deuterium; epaisseur du liquide 400 mm; l'isolement thermique est assure par une cuve a vide et un ecran d'azote liquide. Recuperation et liquefaction des vapeurs de deuterium sont effectuees dans la cuve a vide contenant la cible. Le systeme de vidange pour la cible est concu pour fonctionner en quelques minutes. (auteur)

Study of liquid hydrogen and liquid deuterium cold neutron sources; Etude de sources de neutrons froids a hydrogene et deuterium liquides

Energy Technology Data Exchange (ETDEWEB)

Harig, H D [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1967-12-01

In view of the plant of the cold neutron source for a high flux reactor (maximal thermal flux of about 10{sup 15} n/cm{sup 2}s) an experimental study of several cold sources of liquid hydrogen and liquid deuterium has been made in a low power reactor (100 kW, about 10{sup 12} n/cm{sup 2}s). We have investigated: -cold neutron sources of liquid hydrogen shaped as annular layers of different thickness. Normal liquid hydrogen was used as well as hydrogen with a high para-percentage. -Cold neutron sources of liquid deuterium in cylinders of 18 and 38 cm diameter. In this case the sources could be placed into different positions to the reactor core within the heavy water reflector. This report gives a general description of the experimental device and deals more detailed with the design of the cryogenic systems. Then, the measured results are communicated, interpreted and finally compared with those of a theoretical study about the same cold moderators which have been the matter of the experimental investigation. (authors) [French] En vue de l'installation d'une source a neutrons froids dans un reacteur a haut flux (flux thermique maximal environ 10{sup 15} n/cm{sup 2}s), nous avons fait une etude neutronique experimentale de differentes sources froides a hydrogene et a deuterium liquides aupres d'un reacteur a faible puissance (100 kW environ 10{sup 12} n/cm{sup 2}s). Nous avons etudie: des couches annulaires de differentes epaisseurs d'hydrogene liquide normal et d'hydrogene a grand pourcentage para, des cellules cylindriques de 18 et 38 cm de diametre, remplies de deuterium liquide et placees a differentes positions dans le reflecteur D{sub 2}O. Ce travail traite l'implantation de l'installation cryogenique et donne une description generale de l'experience. L'interpretation des resultats fait etat entre autres d'une comparaison entre l'experience et une etude theorique portant sur les memes moderateurs. (auteurs)

Ab initio calculations and experimental measurement of the deuterium quadrupole coupling constant in Na2PDO3

International Nuclear Information System (INIS)

Trudeau, J.D.; Schwartz, J.L.; Farrar, T.C.

1991-01-01

The deuterium quadrupole coupling constant, χ D , in the PDO 3 2- anion has been measured in solution by NMR spin-lattice (T 1 ) relaxation time measurements and it has been calculated via ab initio methods. The experimental value of 94.7 ± 0.5 kHz is in excellent agreement with the ab initio value of 95.0 kHz. The activation energy for the ion reorientation is 2.23 ± 0.01 kJ mol -1

2D NMR studies of biomolecules

International Nuclear Information System (INIS)

Lamerichs, R.M.J.N.

1989-01-01

The work described in this thesis comprises two related subjects. The first part describes methods to derive high-resolution structures of proteins in solution using two-dimensional (2-D) NMR. The second part describes 2-D NMR studies on the interaction between proteins and DNA. (author). 261 refs.; 52 figs.; 23 tabs

Study of liquid hydrogen and liquid deuterium cold neutron sources

International Nuclear Information System (INIS)

Harig, H.D.

1969-01-01

In view of the plant of the cold neutron source for a high flux reactor (maximal thermal flux of about 10 15 n/cm 2 s) an experimental study of several cold sources of liquid hydrogen and liquid deuterium has been made in a low power reactor (100 kW, about 10 12 n/cm 2 s). We have investigated: -cold neutron sources of liquid hydrogen shaped as annular layers of different thickness. Normal liquid hydrogen was used as well as hydrogen with a high para-percentage. -Cold neutron sources of liquid deuterium in cylinders of 18 and 38 cm diameter. In this case the sources could be placed into different positions to the reactor core within the heavy water reflector. This report gives a general description of the experimental device and deals more detailed with the design of the cryogenic systems. Then, the measured results are communicated, interpreted and finally compared with those of a theoretical study about the same cold moderators which have been the matter of the experimental investigation. (authors) [fr

Deuterium abundance, from ultraviolet to visible

International Nuclear Information System (INIS)

Hebrard, Guillaume

2000-01-01

In the frame of the standard Big Bang model, the primordial abundance of deuterium is the most sensitive to the baryonic density of the Universe. It was synthesized only during the primordial nucleosynthesis few minutes after the Big Bang and no other standard mechanism is able to produce any further significant amount. On the contrary, since deuterium is burned up within stars, its abundance D/H decreases along cosmic evolution. Thus, D/H measurements constrain Big Bang and galactic chemical evolution models. There are three samples of deuterium abundances: primordial, proto-solar and interstellar. Each of them is representative of a given epoch, respectively about 15 Gyrs past, 4.5 Gyrs past and present epoch. Although the evolution of the deuterium abundance seems to be qualitatively understood, the measurements show some dispersion. Present thesis works are linked to deuterium interstellar abundance measurements. Such measurements are classically obtained from spectroscopic observations of the hydrogen and deuterium Lyman series in absorption in the ultraviolet spectral range, using space observatories. Results presented here were obtained with the Hubble Space Telescope and FUSE, which has recently been launched. Simultaneously, a new way to observe deuterium has been proposed, in the visible spectral range from ground-based telescopes. This has led to the first detections and the identification of the deuterium Balmer series, in emission in HII regions, using CFHT and VLT telescopes. (author) [fr

Deuterium in atmospheric cycle

International Nuclear Information System (INIS)

Pontikis, M.C.

Interest of the study concerning the deuterium content variation (HDO) in the atmospheric water. Standards and measurement methods. Molecule HDO cycle in the atmospheric water. Application to the study of hail-generating cumulus-nimbus and of the mantle of snow [fr

Deuterium desorption from tungsten using laser heating

Directory of Open Access Journals (Sweden)

J.H. Yu

2017-08-01

Full Text Available Retention and desorption of hydrogenic species need to be accurately modeled to predict the tritium inventory of next generation fusion devices, which is needed both for tritium fuel recovery and for tritium safety concerns. In this paper, experiments on thermal desorption of deuterium from intrinsic polycrystalline tungsten defects using laser heating are compared to TMAP-7 modeling. The samples during deuterium plasma exposure were at a temperature of 373K for this benchmark study with ion fluence of 0.7–1.0 ×1024Dm−2. Following plasma exposure, a fiber laser (λ= 1100nm heated the samples to peak surface temperatures ranging from ∼500 to 1400K with pulse widths from 10ms to 1s, and 1 to 10 pulses applied to each sample. The remaining deuterium retention was measured using temperature programmed desorption (TPD. Results show that > 95% of deuterium is desorbed when the peak surface temperature reached ∼950K for > 1s. TMAP-7 is used to predict deuterium desorption from tungsten for a range of surface temperatures and heating durations, and is compared to previous work on desorption from beryllium codeposits.

Deuterium trapping at vacancy clusters in electron/neutron-irradiated tungsten studied by positron annihilation spectroscopy

Science.gov (United States)

Toyama, T.; Ami, K.; Inoue, K.; Nagai, Y.; Sato, K.; Xu, Q.; Hatano, Y.

2018-02-01

Deuterium trapping at irradiation-induced defects in tungsten, a candidate material for plasma facing components in fusion reactors, was revealed by positron annihilation spectroscopy. Pure tungsten was electron-irradiated (8.5 MeV at ∼373 K and to a dose of ∼1 × 10-3 dpa) or neutron-irradiated (at 573 K to a dose of ∼0.3 dpa), followed by post-irradiation annealing at 573 K for 100 h in deuterium gas of ∼0.1 MPa. In both cases of electron- or neutron-irradiation, vacancy clusters were found by positron lifetime measurements. In addition, positron annihilation with deuterium electrons was demonstrated by coincidence Doppler broadening measurements, directly indicating deuterium trapping at vacancy-type defects. This is expected to cause significant increase in deuterium retention in irradiated-tungsten.

Deuterium trapping in liquid lithium irradiated by deuterium plasma

International Nuclear Information System (INIS)

Pisarev, A.; Moshkunov, K.; Vizgalov, I.; Gasparyan, Yu.

2013-01-01

Liquid lithium was irradiated by deuterium plasma to a low fluence of 10 22 –10 23 D/m 2 , cooled down to room temperature, and then slowly heated. The temperature and release rate were measured during heating. Two plateaus on the temperature–time dependence were observed at 180 °C and 660 °C. The first one corresponds to melting of Li and the second one – either to melting or to decomposition of solid LiD. Features of deuterium release in TDS were interpreted in terms of decomposition of lithium deuterides formed during plasma irradiation

Deuterium ion irradiation damage and deuterium trapping mechanism in candidate stainless steel material (JPCA2) for fusion reactor

International Nuclear Information System (INIS)

Ashizuka, Norihiro; Kurita, Takaaki; Yoshida, Naoaki; Fujiwara, Tadashi; Muroga, Takeo

1987-01-01

An improved austenitic stainless steel (JPCA), a candidate material for fusion reactor, is irradiated at room temperature with deuterium ion beams. Desorption spectra of deuterium gas is measured at various increased temperatures and defects formed under irradiation are observed by transmission electron microscopy to determine the mechanism of the thermal release of deuteriums and the characteristics of irradiation-induced defects involved in the process. In the deuterium deportion spectra observed, five release stages are found to exist at 90 deg C, 160 deg C, 220 deg C, 300 deg C and 400 deg C, referred to as Stage I, II, III, IV and V, respectively. Stage I is interpreted as representing the release of deuteriums trapped in point defects (presumably vacancies) formed under irradiation. The energy of desorption from the trapping sites is estimated at 0.8 eV. Stage II is concluded to be associated with the release of deuteriums trapped in a certain kind of existing defects. Stage III involves the release of deuteriums that are trapped in dislocations, dislocation loops or dislocated portions of stacking fault tetrahedra. This release occurs significantly in processed materials and other materials irradiated with high energy ion beams that may cause cascade damage. Stage IV is interpreted in terms of thermal decomposition of small deuterium clusters. Stage V is associated with the decomposition of rather large deuterium clusters grown on the {111} plane. (Nogami, K.)

Polymeric proanthocyanidins 13C NMR studies of procyanidins

Science.gov (United States)

Lawrence J. Porter; Roger H. Newman; Lai Yeap Foo; Herbert Wong; Richard W. Hemingway

1982-01-01

Proanthocyanidin polymers have been shown to consist entirely of flavan-3-ol units by a combination of techniques including 13C n.m.r. spectroscopy. The 13C n.m.r. spectra of the polymers and related molecules are now considered in more detail. Prior to this study UC n.m.r. data has been published of procyanidins and...

Applications of 3H and 2H NMR spectroscopy in studies of β-lactam antibiotic biosynthesis

International Nuclear Information System (INIS)

Crout, D.H.G.

1986-01-01

Stereochemical studies have been invaluable in illuminating the mechanisms of enzymatic reactions. The formation of cephalosporin C from penicillin N is a biological process of fundamental importance in relation to cephalosporin C production. During this transformation, two methyl groups in penicillin N, (originally the two methyl groups of the precursor L-valine) are converted into methylene groups. One is involved in the ring expansion - sulphur migration step, the other in the formation of the acetoxymethyl side chain. By synthesizing 'chiral methyl' valine in which both methyl groups were stereospecifically labeled with deuterium and tritium, and by using 3 H and 2 H n.m.r. to analyse the valine, and the cephalosporin C produced from it biosynthetically, it has been possible in a single experiment to elucidate the stereochemical changes taking place during the transformations of both methyl groups. The results obtained support the hypothesis that both transformations involve radical intermediates. 8 refs.; 6 figs.; 4 schemes

Method of producing deuterium-oxide-enriched water

International Nuclear Information System (INIS)

Mandel, H.

1976-01-01

A method and apparatus for producing deuterium-oxide-enriched water (e.g., as a source of deuterium-rich gas mixtures) are disclosed wherein the multiplicity of individual cooling cycles of a power plant are connected in replenishment cascade so that fresh feed water with a naturally occurring level of deuterium oxide is supplied to replace the vaporization losses, sludge losses and withdrawn portion of water in a first cooling cycle, the withdrawn water being fed as the feed water to the subsequent cooling cycle or stage and serving as the sole feed-water input to the latter. At the end of the replenishment-cascade system, the withdrawn water has a high concentration of deuterium oxide and may serve as a source of water for the production of heavy water or deuterium-enriched gas by conventional methods of removing deuterium oxide or deuterium from the deuterium-oxide-enriched water. Each cooling cycle may form part of a thermal or nuclear power plant in which a turbine is driven by part of the energy and air-cooling of the water takes place in the atmosphere, e.g., in a cooling tower

Applications of NMR to studies of tissue metabolism

International Nuclear Information System (INIS)

Avison, M.J.; Hetherington, H.P.; Shulman, R.G.

1986-01-01

From its beginnings as a tool for the elucidation of biochemical pathways and bioenergetic status in unicellular organisms, the field of NMR studie in vivo has grown to encompass not only the study of isolated perfused organs, but also the study of various aspects of the biochemistry, physiology, and pathophysiology of these same organs in the intact animal. In recent years several groups have begun to extend the techniques developed in animals to the study of clinically relevant conditions in humans. A comprehensive review of all areas of NMR studies in vivo would be either unacceptably long or very superficial. For this reason the authors have restricted this review to studies published since 1980, except where an earlier study is particularly relevant to the topic under discussion. Furthermore, they have concentrated on areas that have been extending the scope of NMR in vivo. One specific omission is review of NMR studies of tumors, since a comprehensive review has recently appeared

Properties of thick GEM in low-pressure deuterium

International Nuclear Information System (INIS)

Lee, C S; Ota, S; Tokieda, H; Kojima, R; Watanabe, Y N; Uesaka, T

2014-01-01

Deuteron inelastic scattering (d, d') provides a promising spectroscopic tool to study nuclear incompressibility. In studies of deuteron inelastic scattering of unstable nuclei, measurements of low-energy recoiled particles is very important. In order to perform these measurements, we are developing a GEM-TPC based gaseous active target, called CAT (Center for nuclear study Active Target), operated with pure deuterium gas. The CAT has been tested with deuterium gas at 1 atm and 100-μm-thick GEMs. The low-pressure operation of CAT is planned in order to improve the detection capability for lower-energy recoil particles. A 400 μm-thick gas electron multiplier (THGEM) was chosen for the low-pressure operation of CAT. However, the properties of THGEM in low-pressure deuterium are currently undocumented. In this work, the performance of THGEM with low-pressure pure deuterium gas has been investigated. The effective gas gain of THGEM has been measured in various conditions using a 5.5-MeV 241 Am alpha source. The effective gas gain was measured for 0.2-, 0.3- and 0.4-atm deuterium gas and a gas gain of about 10 3 was achieved by a double THGEM structure at 0.2 atm. The maximum achieved gain decreased with increasing gas pressure. The dependences of the effective gas gain on the electric field strengths of the drift, transfer and induction regions were investigated. The gain stability as a function of time in hydrogen gas was also tested and a relaxation time of THGEM of about 60 hours was observed with a continuous irradiation of alpha particles, which is significantly longer than previous studies have reported. We have tried to evaluate the gas gain of THGEM in deuterium gas by considering only the Townsend ionization process; however, it turned out that more phenomenological aspects, such as transfer efficiency, should be included in the evaluation. The basic properties of THGEM in low-pressure deuterium have been investigated for the first time

Properties of thick GEM in low-pressure deuterium

Science.gov (United States)

Lee, C. S.; Ota, S.; Tokieda, H.; Kojima, R.; Watanabe, Y. N.; Uesaka, T.

2014-05-01

Deuteron inelastic scattering (d, d') provides a promising spectroscopic tool to study nuclear incompressibility. In studies of deuteron inelastic scattering of unstable nuclei, measurements of low-energy recoiled particles is very important. In order to perform these measurements, we are developing a GEM-TPC based gaseous active target, called CAT (Center for nuclear study Active Target), operated with pure deuterium gas. The CAT has been tested with deuterium gas at 1 atm and 100-μm-thick GEMs. The low-pressure operation of CAT is planned in order to improve the detection capability for lower-energy recoil particles. A 400 μm-thick gas electron multiplier (THGEM) was chosen for the low-pressure operation of CAT. However, the properties of THGEM in low-pressure deuterium are currently undocumented. In this work, the performance of THGEM with low-pressure pure deuterium gas has been investigated. The effective gas gain of THGEM has been measured in various conditions using a 5.5-MeV 241Am alpha source. The effective gas gain was measured for 0.2-, 0.3- and 0.4-atm deuterium gas and a gas gain of about 103 was achieved by a double THGEM structure at 0.2 atm. The maximum achieved gain decreased with increasing gas pressure. The dependences of the effective gas gain on the electric field strengths of the drift, transfer and induction regions were investigated. The gain stability as a function of time in hydrogen gas was also tested and a relaxation time of THGEM of about 60 hours was observed with a continuous irradiation of alpha particles, which is significantly longer than previous studies have reported. We have tried to evaluate the gas gain of THGEM in deuterium gas by considering only the Townsend ionization process; however, it turned out that more phenomenological aspects, such as transfer efficiency, should be included in the evaluation. The basic properties of THGEM in low-pressure deuterium have been investigated for the first time.

Structural investigations of substituted indolizine derivatives by NMR studies

International Nuclear Information System (INIS)

Furdui, Bianca; Dinica, Rodica; Demeunynck, Martine; Druta, Ioan

2008-01-01

Owing to the increasing importance of indolizine heterocycles in the field of biology and pharmacology we have synthesized and investigated the obtained heterocycles by NMR techniques. In order to investigate the substituent effects on the spectroscopic properties, a series of indolizine derivatives were studied by 1 H-NMR, 13 C-NMR and 2D NMR (GCOSY, GHMBC and GHMQC spectra). (authors)

Deuterium trapping in carbon fiber composites under high fluence

International Nuclear Information System (INIS)

Airapetov, A.A.; Begrambekov, L.B.; Kuzmin, A.A.; Shigin, P.A.; Zakharov, A.M.

2010-01-01

The paper is devoted to investigation of deuterium trapping in CFC, dance graphite MPG-8 and pyrolytic graphite (PG) under plasma ion- and electron irradiation. Number of specific features of deuterium trapping and retention under plasma ion and electron irradiation is presented and discussed. In particular it is shown that 1) deuterium trapping takes place even when energy of impinging ions approaches zero; 2) deuterium is trapped under irradiation by plasma electrons; 3) under irradiation at equal fluences deuterium trapping is higher, when ion flux is smaller. High energy ion penetrating the surfaces are trapped in the traps created at the expense of their kinetic energy. The process may be named 'kinetic trapping'. Under low energy (smaller than 200 eV) electron and/or ion irradiation the energy of inelastic interaction on the surface provides creation of active centers, which initiate dissociation of deuterium sorbed on the surface, penetration of deuterium atoms into graphite and their trapping in specific low energy traps. The term 'potential trapping' is proposed for this type of trapping. Under high energy irradiation such atoms can fill the traps formed through kinetic mechanism. Origination of moveable deuterium atoms from the layer of surface sorption seems to be time dependent process and it is a reason of increase of trapping along with irradiation time. New features of deuterium trapping and retention in graphite evaluated in this study offer new opportunities for analysis and correct estimation of hydrogen isotope trapping and retention in tokamaks having graphite tiles. (authors)

Method of deuterium isotope separation and enrichment

International Nuclear Information System (INIS)

Benson, S.W.

1979-01-01

A method is described for separating and enriching deuterium containing molecules comprising the steps of: providing a source of organic molecules containing a normal abundance of deuterium atoms, the organic molecules having a structural formula RX, in which R is an organic radical selected from ethyl, isopropyl, t-butyl and 3-cyclopentenyl, and in which X is selected from F, Cl, Br and OH, and wherein R represents 3-cyclopentenyl, X may additionally represent H; exposing the molecules to the radiation of at least one pulsed infrared laser source which has been specifically tuned and focussed to selectively decompose RX molecules containing deuterium to form an enriched olefin specie containing deuterium, and HX; and separating the deuterium enriched olefin specie from the undecomposed deuterium depleted RX molecules and HX. (author)

Some methods for labelling organic compounds by deuterium

International Nuclear Information System (INIS)

Moustapha, C.

1988-01-01

The rapid growth of knowledge in the fields of biochemistry, physiology, and molecular biology reflects to a considerable degree the utilization of stable isotopes (specially deuterium) in the study of chemical reactions and fragmentation mechanisms in mass spectrometry, as well as in the pharmacological and biological studies. Organic compounds maybe labelled by deuterium through classic organic reactions by using special deuterated solvents and reagents. This article discusses some reactions, with examples on how to prepare labelled compounds with high isotopic purety. These reactions are: exchange reactions in acid and alkaline media (the exchange in the chromatographic column in liquid and gas phases, the exchange in homogenous medium), reduction reactions of functional groups as well as saturation of the double bounds by deuterium using hydrogenation catalystes, electrochemical reactions using KOLBE, and photochemical reactions. This article also deals with spectroscopic properties of deuterium and the methods which are used to identify its compounds such as infrared, nuclear magnetic resonance, and mass spectroscopy. 37 refs., 2 figs

Cosmic Deuterium and Social Networking Software

Science.gov (United States)

Pasachoff, J. M.; Suer, T.-A.; Lubowich, D. A.; Glaisyer, T.

2006-08-01

For the education of newcomers to a scientific field and for the convenience of students and workers in the field, it is helpful to have all the basic scientific papers gathered. For the study of deuterium in the Universe, in 2004-5 we set up http://www.cosmicdeuterium.info with clickable links to all the historic and basic papers in the field and to many of the current papers. Cosmic deuterium is especially important because all deuterium in the Universe was formed in the epoch of nucleosynthesis in the first 1000 seconds after the Big Bang, so study of its relative abundance (D:H~1:100,000) gives us information about those first minutes of the Universe's life. Thus the understanding of cosmic deuterium is one of the pillars of modern cosmology, joining the cosmic expansion, the 3 degree cosmic background radiation, and the ripples in that background radiation. Studies of deuterium are also important for understanding Galactic chemical evolution, astrochemistry, interstellar processes, and planetary formation. Some papers had to be scanned while others are available at the Astrophysical Data System, adswww.harvard.edu, or to publishers' Websites. By 2006, social networking software (http:tinyurl.com/ zx5hk) had advanced with popular sites like facebook.com and MySpace.com; the Astrophysical Data System had even set up MyADS. Social tagging software sites like http://del.icio.us have made it easy to share sets of links to papers already available online. We have set up http://del.icio.us/deuterium to provide links to many of the papers on cosmicdeuterium.info, furthering previous del.icio.us work on /eclipses and /plutocharon. It is easy for the site owner to add links to a del.icio.us site; it takes merely clicking on a button on the browser screen once the site is opened and the desired link is viewed in a browser. Categorizing different topics by keywords allows subsets to be easily displayed. The opportunity to expose knowledge and build an ecosystem of web

Sputtering of solid deuterium by He-ions

DEFF Research Database (Denmark)

Schou, Jørgen; Stenum, B.; Pedrys, R.

2001-01-01

Sputtering of solid deuterium by bombardment of 3He+ and 4He+ ions was studied. Some features are similar to hydrogen ion bombardment of solid deuterium, but for the He-ions a significant contribution of elastic processes to the total yield can be identified. The thin-film enhancement is more pro...... pronounced than that for hydrogen projectiles in the same energy range....

NMR studies of cerebral metabolism in vivo

International Nuclear Information System (INIS)

Prichard, J.W.

1986-01-01

The nature and extent of the potential synergism between PET and NMR methods is not yet well appreciated in the biomedical community. The long-range interest of medical neurobiology will be well served by efforts of PET and NMR scientists to follow each others' work so that opportunities for productive interchange can be efficiently exploited. Appreciation of the synergism by the rest of the biomedical community will follow naturally. PET is said by the people doing it to be still in its infancy, for they are more concerned with advancing their discipline than with admiring its already impressive achievements. On the scale of the same developmental metaphor, many NMR methods for studying the living human brain are still in utero. The best way to provide the reader a sense of the current status and future course of NMR research in medical neurobiology is by discussion of published in vivo studies. Such a discussion, adapted from another article is what follows

Cytology is advanced by studying effects of deuterium environment

Science.gov (United States)

Bose, S.; Crespi, H. L.; Flaumenhaft, E.; Katz, J. J.

1967-01-01

Research of deuterium effects on biological systems shows deuteriation is not incompatible with life. With the successful cultivation of deuteriated bacteria, work is now being done on extraction of deuterio-compounds from bacteria.

Catalyzed deuterium-deuterium and deuterium-tritium fusion blankets for high temperature process heat production

International Nuclear Information System (INIS)

Ragheb, M.M.H.; Salimi, B.

1982-01-01

Tritiumless blanket designs, associated with a catalyzed deuterium-deuterium (D-D) fusion cycle and using a single high temperature solid pebble or falling bed zone, for process heat production, are proposed. Neutronics and photonics calculations, using the Monte Carlo method, show that an about 90% heat deposition fraction is possible in the high temperature zone, compared to a 30 to 40% fraction if a deuterium-tritium (D-T) fusion cycle is used with separate breeding and heat deposition zones. Such a design is intended primarily for synthetic fuels manufacture through hydrogen production using high temperature water electrolysis. A system analysis involving plant energy balances and accounting for the different fusion energy partitions into neutrons and charged particles showed that plasma amplification factors in the range of 2 are needed. In terms of maximization of process heat and electricity production, and the maximization of the ratio of high temperature process heat to electricity, the catalyzed D-D system outperforms the D-T one by about 20%. The concept is thought competitive to the lithium boiler concept for such applications, with the added potential advantages of lower tritium inventories in the plasma, reduced lithium pumping (in the case of magnetic confinement) and safety problems, less radiation damage at the first wall, and minimized risks of radioactive product contamination by tritium

Deuterium/hydrogen isotope exchange on beryllium and beryllium nitride; Deuterium/Wasserstoff-Isotopenaustausch an Beryllium und Berylliumnitrid

Energy Technology Data Exchange (ETDEWEB)

Dollase, Petra; Eichler, Michael; Koeppen, Martin; Dittmar, Timo; Linsmeier, Christian [Forschungszentrum Juelich GmbH, Institut fuer Energie- und Klimaforschung - Plasmaphysik (Germany)

2016-07-01

In the fusion experiments JET and ITER, the first wall is made up of beryllium. The use of nitrogen is discussed for radiative cooling in the divertor. This can react with the surface of the first wall to form beryllium nitride (Be{sub 3}N{sub 2}). The hydrogen isotopes deuterium and tritium, which react in the fusion reaction to helium and a neutron, are used as fuel. Since the magnetic confinement of the plasma is not perfect, deuterium and tritium ions are also found on the beryllium wall and can accumulate there. This should be avoided due to the radioactivity of tritium. Therefore the isotope exchange with deuterium is investigated to regenerate the first wall. We investigate the isotopic exchange of deuterium and protium in order to have not to work with radioactive tritium. The ion bombardment is simulated with an ion source. With voltages up to a maximum of 5 kV, deuterium and protic hydrogen ions are implanted in polycrystalline Be and Be{sub 3}N{sub 2}. The samples are then analyzed in situ using X-ray photoelectron spectroscopy (XPS) and thermal desorption spectroscopy (TDS). Subsequently, samples prepared under the same conditions are characterized ex-situ by means of nuclear reaction analysis (NRA). [German] In den Fusionsexperimenten JET und ITER besteht die erste Wand im Hauptraum aus Beryllium (Be). Zur Strahlungskuehlung im Divertor wird der Einsatz von Stickstoff diskutiert. Dieser kann mit der Oberflaeche der ersten Wand zu Berylliumnitrid (Be{sub 3}N{sub 2}) reagieren. Als Brennstoff werden die Wasserstoffisotope Deuterium und Tritium eingesetzt, die in der Fusionsreaktion zu Helium und einem Neutron reagieren. Da der magnetische Einschluss des Plasmas nicht perfekt ist, treffen auch Deuterium- und Tritiumionen auf die Berylliumwand auf und koennen sich dort anreichern. Das soll aufgrund der Radioaktivitaet von Tritium unbedingt vermieden werden. Daher wird zur Regenerierung der ersten Wand der Isotopenaustausch mit Deuterium untersucht. Wir

Synthesis of deuterium-labeled fluphenazine.

Science.gov (United States)

Shetty, H U; Hawes, E M; Midha, K K

1984-01-01

The propylpiperazine side chain of fluphenazine has been labeled with two, four, and six deuterium atoms by lithium aluminum deuteride reduction of the appropriate ester or imide. The gamma-carbon of the propyl group was labeled with two deuterium atoms by reduction of 10- (2-methoxycarbonylethyl) -2-trifluoromethyl-10H-phenothiazine, while four deuterium atoms were incorporated into the piperazine ring by reduction of 10-[3-(3,5-dioxo-1-piperazinyl)propyl]-2-trifluoromethyl-10H-pheno thiazine. The latter reduction gave the d4-labeled N-deshydroxyethyl metabolite of fluphenazine.

Method of deuterium isotope separation and enrichment

International Nuclear Information System (INIS)

Benson, S.W.

1980-01-01

A method of deuterium isotope separation and enrichment using infrared laser technology in combination with chemical processes for treating and recycling the unreacted and deuterium-depleted starting materials is described. Organic molecules of the formula RX (where R is an ethyl, isopropyl, t-butyl, or cyclopentenyl group and X is F, Cl, Br or OH) containing a normal abundance of hydrogen and deuterium are exposed to intense laser infrared radiation. An olefin containing deuterium (olefin D) will be formed, along with HX. The enriched olefin D can be stripped from the depleted stream of RX and HX, and can be burned to form enriched water or pyrolyzed to produce hydrogen gas with elevated deuterium content. The depleted RX is decomposed to olefins and RX, catalytically exchanged with normal water to restore the deuterium content to natural levels, and recombined to form RX which can be recycled. (LL)

Determining the parity of a permutation using an experimental NMR qutrit

International Nuclear Information System (INIS)

Dogra, Shruti; Arvind,; Dorai, Kavita

2014-01-01

We present the NMR implementation of a recently proposed quantum algorithm to find the parity of a permutation. In the usual qubit model of quantum computation, it is widely believed that computational speedup requires the presence of entanglement and thus cannot be achieved by a single qubit. On the other hand, a qutrit is qualitatively more quantum than a qubit because of the existence of quantum contextuality and a single qutrit can be used for computing. We use the deuterium nucleus oriented in a liquid crystal as the experimental qutrit. This is the first experimental exploitation of a single qutrit to carry out a computational task. - Highlights: • NMR implementation of a quantum algorithm to determine the parity of a permutation. • Algorithm implemented on a single qutrit. • Computational speedup achieved without quantum entanglement. • Single qutrit shows quantum contextuality

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)

Carbon-deuterium rotational-echo double-resonance NMR spectroscopy of lyophilized aspartame formulations.

Science.gov (United States)

Luthra, Suman A; Utz, Marcel; Gorman, Eric M; Pikal, Michael J; Munson, Eric J; Lubach, Joseph W

2012-01-01

In this study, changes in the local conformation of aspartame were observed in annealed lyophilized glasses by monitoring changes in the distance between two labeled sites using C-(2)H rotational-echo double-resonance (REDOR) nuclear magnetic resonance (NMR) spectroscopy. Confirmation that the REDOR experiments were producing accurate distance measurement was ensured by measuring the (13)C-(15)N distance in glycine. The experiment was further verified by measuring the REDOR dephasing curve on (13)C-(2)H methionine. (13)C-(2)H REDOR dephasing curves were then measured on lyophilized aspartame-disaccharide formulations. In aspartame-sucrose formulation, the internuclear distances increased upon annealing, which correlated with decreased chemical reactivity. By contrast, annealing had only a minimal effect on the dephasing curve in aspartame-trehalose formulation. The results show that stability is a function of both mobility and local structure (conformation), even in a small molecule system such as lyophilized aspartame-sucrose. Copyright © 2011 Wiley-Liss, Inc.

A Dosimetry Study of Deuterium-Deuterium Neutron Generator-based In Vivo Neutron Activation Analysis.

Science.gov (United States)

Sowers, Daniel; Liu, Yingzi; Mostafaei, Farshad; Blake, Scott; Nie, Linda H

2015-12-01

A neutron irradiation cavity for in vivo neutron activation analysis (IVNAA) to detect manganese, aluminum, and other potentially toxic elements in human hand bone has been designed and its dosimetric specifications measured. The neutron source is a customized deuterium-deuterium neutron generator that produces neutrons at 2.45 MeV by the fusion reaction 2H(d, n)3He at a calculated flux of 7 × 10(8) ± 30% s(-1). A moderator/reflector/shielding [5 cm high density polyethylene (HDPE), 5.3 cm graphite and 5.7 cm borated (HDPE)] assembly has been designed and built to maximize the thermal neutron flux inside the hand irradiation cavity and to reduce the extremity dose and effective dose to the human subject. Lead sheets are used to attenuate bremsstrahlung x rays and activation gammas. A Monte Carlo simulation (MCNP6) was used to model the system and calculate extremity dose. The extremity dose was measured with neutron and photon sensitive film badges and Fuji electronic pocket dosimeters (EPD). The neutron ambient dose outside the shielding was measured by Fuji NSN3, and the photon dose was measured by a Bicron MicroREM scintillator. Neutron extremity dose was calculated to be 32.3 mSv using MCNP6 simulations given a 10-min IVNAA measurement of manganese. Measurements by EPD and film badge indicate hand dose to be 31.7 ± 0.8 mSv for neutrons and 4.2 ± 0.2 mSv for photons for 10 min; whole body effective dose was calculated conservatively to be 0.052 mSv. Experimental values closely match values obtained from MCNP6 simulations. These are acceptable doses to apply the technology for a manganese toxicity study in a human population.

Continuum emission from irradiated solid deuterium

DEFF Research Database (Denmark)

Forrest, J.A.; Brooks, R.L.; Hunt, J.L.

1992-01-01

A new emission feature from the spectrum of irradiated solid deuterium has been observed in the very near-infrared spectral region. Experiments from three laboratories, using different excitation conditions, have confirmed the observation. Comparison of the timing and temperature dependence...... of the spectral feature to the information previously available from electron spin resonance studies of solid deuterium, points to atomic association as the underlying cause. We shall show the connection of this emission to the occurrence of thermal spikes and optical flashes, previously observed in solid...

Chemical behavior of energetic deuterium implanted into silicon carbide

International Nuclear Information System (INIS)

Iguchi, Kazunari; Morimoto, Yasutomi; Shimada, Asako; Inuduka, Nobuo; Okuno, Kenji; Nakamura, Hirohumi; Nishi, Masataka

2000-01-01

Studies on chemical behavior of energetic deuterium (D) ions implanted into SiC were carried out by means of X-ray Photoelectron Spectroscopy (XPS) and Thermal Desorption Spectroscopy (TDS). From XPS results, it was suggested that the implanted D was attracted strongly to Si and/or C. From TDS results, two peaks corresponding to D 2 release appeared near 470 K (1st peak) and 1080 K (2nd peak). The activation energies for the two D 2 release processes were also determined. It was found from these experimental results that the 1st peak seemed to be attributed to deuterium that existed in interstitial. The 2nd peak was considered to be caused by deuterium trapped in lattice defects produced through deuterium ion implantation. (author)

Structural Studies of Biological Solids Using NMR

Science.gov (United States)

Ramamoorthy, Ayyalusamy

2011-03-01

High-resolution structure and dynamics of biological molecules are important in understanding their function. While studies have been successful in solving the structures of water-soluble biomolecules, it has been proven difficult to determine the structures of membrane proteins and fibril systems. Recent studies have shown that solid-state NMR is a promising technique and could be highly valuable in studying such non-crystalline and non-soluble biosystems. I will present strategies to study the structures of such challenging systems and also about the applications of solid-state NMR to study the modes of membrane-peptide interactions for a better assessment of the prospects of antimicrobial peptides as substitutes to antibiotics in the control of human disease. Our studies on the mechanism of membrane disruption by LL-37 (a human antimicrobial peptide), analogs of the naturally occurring antimicrobial peptide magainin2 extracted from the skin of the African frog Xenopus Laevis, and pardaxin will be presented. Solid-state NMR experiments were used to determine the secondary structure, dynamics and topology of these peptides in lipid bilayers. Similarities and difference in the cell-lysing mechanism, and their dependence on the membrane composition, of these peptides will be discussed. Atomic-level resolution NMR structures of amyloidogenic proteins revealing the misfolding pathway and early intermediates that play key roles in amyloid toxicity will also be presented.

NMR studies of the structure of glasses

International Nuclear Information System (INIS)

Bray, P.J.; Gravina, S.J.; Stallworth, P.E.; Szu, S.P.; Jianhui Zhong

1988-01-01

Earlier continuous wave (CW) NMR studies of chemical bonding and structure in glasses are summarized. Examples are given of this use of the quadrupolar interaction and chemical shift to obtain structural information. New NMR data and analyses are presented for alkali borate and gallate glasses. Extensions to other elements (e.g. molybdenum, lanthanum) are suggested. 44 refs. (author)

Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings

Directory of Open Access Journals (Sweden)

Karl-Heinz Böhm

2014-04-01

Full Text Available We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters using electronic structure methods. We demonstrate that the accuracy of the computational results is sufficient to even distinguish different conformers. For this purpose, benchmark calculations for fluoro(2-2Hethane in gauche and antiperiplanar conformation are carried out at the HF, MP2 and CCSD(T level of theory using basis sets ranging from double- to quadruple-zeta quality. The methodology is applied to the secondary isotope shifts for 2-fluoronorbornane in order to resolve an ambiguity in the literature on the assignment of endo- and exo-2-fluoronorbornanes with deuterium substituents in endo-3 and exo-3 positions, also yielding insight into mechanistic details of the corresponding synthesis.

Identifying stereoisomers by ab-initio calculation of secondary isotope shifts on NMR chemical shieldings.

Science.gov (United States)

Böhm, Karl-Heinz; Banert, Klaus; Auer, Alexander A

2014-04-23

We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters using electronic structure methods. We demonstrate that the accuracy of the computational results is sufficient to even distinguish different conformers. For this purpose, benchmark calculations for fluoro(2-2H)ethane in gauche and antiperiplanar conformation are carried out at the HF, MP2 and CCSD(T) level of theory using basis sets ranging from double- to quadruple-zeta quality. The methodology is applied to the secondary isotope shifts for 2-fluoronorbornane in order to resolve an ambiguity in the literature on the assignment of endo- and exo-2-fluoronorbornanes with deuterium substituents in endo-3 and exo-3 positions, also yielding insight into mechanistic details of the corresponding synthesis.

Phenomenological nuclear reaction description in deuterium-saturated palladium and synthesized structure in dense deuterium gas under γ-quanta irradiation

International Nuclear Information System (INIS)

Didyk, A.Yu.; Wisniewski, R.

2012-01-01

The observed phenomena on the changes of chemical compositions in our previous reports allowed us to develop a phenomenological nuclear fusion-fission model with taking into consideration the elastic and inelastic scattering of photoprotons and photoneutrons, heating of surrounding deuterium nuclei, following D-D fusion reactions and fission of middle-mass nuclei by 'hot' protons, deuterons and various-energy neutrons. Such chain processes could produce the necessary number of neutrons, 'hot' deuterons for explanation of the observed experimental results. The developed approach can be a basis for creation of deuterated nuclear fission reactors (DNFR) with high-density deuterium gas and so-called deuterated metals. Also, the developed approach can be used for the study of nuclear reactions in high-density deuterium or tritium gases and deuterated metals

Deuterium electrodisintegration at high recoil momentum

International Nuclear Information System (INIS)

Steenholen, G.

1996-01-01

The availability of continuous electron beams made it possible to carry out various deuterium electro-disintegration experiments in kinematical domains corresponding to a high recoil momentum. Three such experiments are discussed: 1) the left-right asymmetry with respect to the direction of the momentum transfer has been measured with good precision; 2) cross sections have been obtained in a kinematical region well above the quasi-elastic peak; 3) data have been taken in quasi-elastic kinematics that can be used to study high-momentum components in the deuterium wave function [ru

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering

DEFF Research Database (Denmark)

Nielsen, Mourits

1973-01-01

Phonon dispersion relations have been measured by coherent neutron scattering in solid para-hydrogen and ortho-deuterium. The phonon energies are found to be nearly equal in the two solids, the highest energy in each case lying close to 10 meV. The pressure and temperature dependence of the phonon...... energies have been measured in ortho-deuterium and the lattice change determined by neutron diffraction. When a pressure of 275 bar is applied, the phonon energies are increased by about 10%, and heating the crystal to near the melting point decreases them by about 7%. The densities of states, the specific...... heats, and the Debye temperatures have been deduced and found to be in agreement with the published experimental results. The Debye temperatures are 118 K for hydrogen and 114 K for deuterium. For hydrogen the Debye-Waller factor has been measured by incoherent neutron scattering and it corresponds...

The deuterium inventory in ASDEX Upgrade

International Nuclear Information System (INIS)

Mayer, M.; Rohde, V.; Ramos, G; Vainonen-Ahlgren, E.; Likonen, J.; Herrmann, A.; Neu, R.

2007-01-01

The deuterium inventory in ASDEX Upgrade was determined by quantitative ion beam analysis techniques and SIMS for different discharge campaigns between the years 2002 and 2005. ASDEX Upgrade was a carbon dominated machine during this phase. Full poloidal sections of the lower and upper divertor tile surfaces, limiter tiles, gaps between divertor tiles, gaps between inner heat shield tiles and samples from remote areas below the roof baffle and in pump ducts were analysed, thus offering an exhaustive survey of all relevant areas in ASDEX Upgrade. Deuterium is mainly trapped on plasma-exposed surfaces of inner divertor tiles, where about 70% of the retained deuterium inventory is found. About 20% of the inventory is retained at or below the divertor roof baffle, and about 10% is observed in other areas, such as the outer divertor and in gaps between tiles. The long term deuterium retention is 3-4% of the total deuterium input. The obtained results are compared with gas balance measurements, and conclusions about tritium retention in ITER are made

Implanted Deuterium Retention and Release in Carbon-Coated Beryllium

Science.gov (United States)

Anderl, R. A.; Longhurst, G. R.; Pawelko, R. J.; Oates, M. A.

1997-06-01

Deuterium implantation experiments have been conducted on samples of clean and carbon-coated beryllium. These studies entailed preparation and characterization of beryllium samples coated with carbon thicknesses of 100, 500, and 1000 Å. Heat treatment of a beryllium sample coated with carbon to a thickness of approximately 100 Å revealed that exposure to a temperature of 400°C under high vacuum conditions was sufficient to cause substantial diffusion of beryllium through the carbon layer, resulting in more beryllium than carbon at the surface. Comparable concentrations of carbon and beryllium were observed in the bulk of the coating layer. Higher than expected oxygen levels were observed throughout the coating layer as well. Samples were exposed to deuterium implantation followed by thermal desorption without exposure to air. Differences were observed in deuterium retention and postimplantation release behavior in the carbon-coated samples as compared with bare samples. For comparable implantation conditions (sample temperature of 400°C and an incident deuterium flux of approximately 6 × 1019 D/m2-s), the quantity of deuterium retained in the bare sample was less than that retained in the carbon-coated samples. Further, the release of the deuterium took place at lower temperatures for the bare beryllium surfaces than for carbon-coated beryllium samples.

Study of the influence of air exposure on graphite implanted by low energy high density deuterium plasma

International Nuclear Information System (INIS)

Fernandez, V.; Bardon, J.; Palmari, J.P.; Grisolia, C.

1990-01-01

A study of the influence of air exposure on the content of Deuterium implanted graphite was done for different exposure durations and different gas exposures. Important reduction of the D 2 thermodesorbed is shown to result from the formation of deuterated compounds during the desorption, the total amount of deuterium desorbed remaining unchanged. Some informations on the mechanisms of the interactions can be obtained by the comparison of the different experiments

Determinação da origem biossintética de ácido acético através da técnica "Site Specific Natural Isotopic Fractionation Studied by Nuclear Magnetic Resonance (SNIF-NMR"

Directory of Open Access Journals (Sweden)

Boffo Elisangela Fabiana

2006-01-01

Full Text Available The main purpose of this work is to describe the use of the technique Site-Specific Natural Isotopic Fractionation of hydrogen (SNIF-NMR, using ²H and ¹H NMR spectroscopy, to investigate the biosynthetic origin of acetic acid in commercial samples of Brazilian vinegar. This method is based on the deuterium to hydrogen ratio at a specific position (methyl group of acetic acid obtained by fermentation, through different biosynthetic mechanisms, which result in different isotopic ratios. We measured the isotopic ratio of vinegars obtained through C3, C4, and CAM biosynthetic mechanisms, blends of C3 and C4 (agrins and synthetic acetic acid.

A study of inclusive charged current neutrino interactions in deuterium

International Nuclear Information System (INIS)

Visser, C.P.

1986-01-01

In this thesis the results of an analysis of inclusive neutrino and antineutrino interaction on deuterium nuclei are presented. The use of deuterium as a target provides a mean to study proton and neutron scattering separately. The presently accepted theory of electro-weak interactions is reviewed. Applications of the quark-parton model in the context of deep-inelastic neutrino interactions on nucleons are summarized. The concept of scaling and its consequences are treated, together with some sources of violation of scaling. The properties of the CERN wide-band neutrino beam and an overview of the elements of this beam are given. The method to determine the energy distribution and the composition of the neutrino and antineutrino beam is described. The technique employed to separate neutrino interactions on protons and neutrons is discussed. Results of the measurement of the total nucleon charged-current cross-sections and differential cross-sections are presented. The relative contributions of quarks and antiquarks to the neutrino cross-sections are deduced from y-distributions and compared to those obtained from the total cross-section measurements. Finally, the analysis of the structure functions is given. (Auth.)

Isotope labeling for NMR studies of macromolecular structure and interactions

International Nuclear Information System (INIS)

Wright, P.E.

1994-01-01

Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform 13 C, 15 N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific 13 C and 15 N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions

Isotope labeling for NMR studies of macromolecular structure and interactions

Energy Technology Data Exchange (ETDEWEB)

Wright, P.E. [Scripps Research Institute, La Jolla, CA (United States)

1994-12-01

Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform {sup 13}C, {sup 15}N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific {sup 13}C and {sup 15}N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions.

Deuterium absorption in Mg70Al30 thin films with bilayer catalysts: A comparative neutron reflectometry study

International Nuclear Information System (INIS)

Poirier, Eric; Harrower, Chris T.; Kalisvaart, Peter; Bird, Adam; Teichert, Anke; Wallacher, Dirk; Grimm, Nico; Steitz, Roland; Mitlin, David; Fritzsche, Helmut

2011-01-01

Highlights: → Mg 70 Al 30 thin films studied for hydrogen absorption using in situ neutron reflectometry. → Films with Ta/Pd, Ti/Pd and Ni/Pd bilayer catalysts systematically compared. → Measurements reveals deuterium spillover from the catalysts to the MgAl phase. → The use of Ti-Pd bilayer offers best results in terms of amount absorbed and kinetics. → Key results cross-checked with X-ray reflectometry. - Abstract: We present a neutron reflectometry study of deuterium absorption in thin films of Al-containing Mg alloys capped with a Ta/Pd, Ni/Pd and Ti/Pd-catalyst bilayer. The measurements were performed at room temperature over the 0-1 bar pressure range under quasi-equilibrium conditions. The modeling of the measurements provided a nanoscale representation of the deuterium profile in the layers at different stages of the absorption process. The absorption mechanism observed was found to involve spillover of atomic deuterium from the catalyst layer to the Mg alloy phase, followed by the deuteration of the Mg alloy. Complete deuteration of the Mg alloy occurs in a pressure range between 100 and 500 mbar, dependent on the type of bilayer catalyst. The use of a Ti/Pd bilayer catalyst yielded the best results in terms of both storage density and kinetic properties.

Application of Solution NMR Spectroscopy to Study Protein Dynamics

Directory of Open Access Journals (Sweden)

Christoph Göbl

2012-03-01

Full Text Available Recent advances in spectroscopic methods allow the identification of minute fluctuations in a protein structure. These dynamic properties have been identified as keys to some biological processes. The consequences of this structural flexibility can be far‑reaching and they add a new dimension to the structure-function relationship of biomolecules. Nuclear Magnetic Resonance (NMR spectroscopy allows the study of structure as well as dynamics of biomolecules in a very broad range of timescales at atomic level. A number of new NMR methods have been developed recently to allow the measurements of time scales and spatial fluctuations, which in turn provide the thermodynamics associated with the biological processes. Since NMR parameters reflect ensemble measurements, structural ensemble approaches in analyzing NMR data have also been developed. These new methods in some instances can even highlight previously hidden conformational features of the biomolecules. In this review we describe several solution NMR methods to study protein dynamics and discuss their impact on important biological processes.

Solid deuterium centrifuge pellet injector

International Nuclear Information System (INIS)

Foster, C.A.

1982-01-01

Pellet injectors are needed to fuel long pulse tokamak plasmas and other magnetic confinement devices. For this purpose, an apparatus has been developed that forms 1.3-mm-diam pellets of frozen deuterium at a rate of 40 pellets per second and accelerates them to a speed of 1 km/s. Pellets are formed by extruding a billet of solidified deuterium through a 1.3-mm-diam nozzle at a speed of 5 cm/s. The extruding deuterium is chopped with a razor knife, forming 1.3-mm right circular cylinders of solid deuterium. The pellets are accelerated by synchronously injecting them into a high speed rotating arbor containing a guide track, which carries them from a point near the center of rotation to the periphery. The pellets leave the wheel after 150 0 of rotation at double the tip speed. The centrifuge is formed in the shape of a centrifugal catenary and is constructed of high strength KEVLAR/epoxy composite. This arbon has been spin-tested to a tip speed of 1 km/s

Solid deuterium centrifuge pellet injector

International Nuclear Information System (INIS)

Foster, C.A.

1983-01-01

Pellet injectors are needed to fuel long pulse tokamak plasmas and other magnetic confinement devices. For this purpose, an apparatus has been developed that forms 1.3-mm-diam pellets of frozen deuterium at a rate of 40 pellets per second and accelerates them to a speed of 1 km/s. Pellets are formed by extruding a billet of solidified deuterium through a 1.3-mm-diam nozzle at a speed of 5 cm/s. The extruding deuterium is chopped with a razor knife, forming 1.3-mm right circular cylinders of solid deuterium. The pellets are accelerated by synchronously injecting them into a high speed rotating arbor containing a guide track, which carries them from a point near the center of rotation to the periphery. The pellets leave the wheel after 150 0 of rotation at double the tip speed. The centrifuge is formed in the shape of a centrifugal catenary and is constructed of high strength Kevlar/epoxy composite. This arbor has been spin-tested to a tip speed of 1 km/s

Measurement of scattering cross sections of liquid and solid hydrogen, deuterium and deuterium hydride for thermal neutrons

International Nuclear Information System (INIS)

Seiffert, W.D.

1984-01-01

The scattering cross sections for liquid and solid normal hydrogen, para-hydrogen, deuterium and deuterium hydride were measured for thermal neutrons at various temperatures. Solid samples of para-hydrogen exhibit distinct Bragg scattering. Liquid samples of deuterium and para-hydrogen also exhibit distinct coherence phenomena, which is indicative of strong local ordering of the molecules. In para-hydrogen and deuterium hydride, the threshold for scattering with excitation of rotations is distinctly visible. The positions of the thresholds show that the molecules in liquid hydrogen are not unhindered in their movement. After the beginning of the rotational excitation the scattering cross sections of liquid and solid para-hydrogen have different shapes which is to be explained by the differences in the dynamics of the liquid and the solid specimen. 22 references

Ex-vacuo nuclear reaction analysis of deuterium

International Nuclear Information System (INIS)

Lee, S.R.; Doyle, B.L.

1989-01-01

A novel technique for performing in-air d( 3 He, p) nuclear reaction analysis of deuterium using external 3 He ion beams ranging in energy from 0.3-2.0 MeV is presented. Variable on-target beam energies for the depth profiling of deuterium are obtained by varying the transmission distance of the external 3 He beam in air. The ex-vacuo nuclear reaction analysis (XNRA) apparatus is described, and unique aspects and limitations of in-air depth profiling of deuterium using the d( 3 He, p) reaction are discussed. Example analyses where XNRA has been used for the multidimensional measurement of deuterium in fusion reactor components are presented in order to illustrate the advantages of XNRA for deuterium. These advantages include nondestructive analysis of large targets, efficient depth profiling via variable air gap energy tuning, and rapid analysis of numerous samples in the absence of vacuum cycling. (orig.)

Use of deuterium labelled glucose in evaluating the pathway of hepatic glycogen synthesis

International Nuclear Information System (INIS)

Goodman, M.N.; Masuoka, L.K.; deRopp, J.S.; Jones, A.D.

1989-01-01

Deuterium labelled glucose has been used to study the pathway of hepatic glycogen synthesis during the fasted-refed transition in rats. Deuterium enrichment of liver glycogen was determined using nuclear magnetic resonance as well as mass spectroscopy. Sixty minutes after oral administration of deuterated glucose to fasted rats, the portal vein blood was fully enriched with deuterated glucose. Despite this, less than half of the glucose molecules incorporated into liver glycogen contained deuterium. The loss of deuterium label from glucose is consistent with hepatic glycogen synthesis by an indirect pathway requiring prior metabolism of glucose. The use of deuterium labelled glucose may prove to be a useful probe to study hepatic glycogen metabolism. Its use may also find application in the study of liver glycogen metabolism in humans by a noninvasive means

Deuterium trapping in ion implanted and co-deposited beryllium oxide layers

International Nuclear Information System (INIS)

Markin, A.V.; Gorodetsky, A.E.; Zakharov, A.P.; Wu, C.H.

2000-01-01

Deuterium trapping in beryllium oxide films irradiated with 400 eV D ions has been studied by thermal desorption spectroscopy (TDS). It has been found that for thermally grown BeO films implanted in the range 300 - 900 K the total deuterium retention doesn't depend whereas TDS spectra do markedly on irradiation temperature. For R.T. implantation the deuterium is released in a wide range from 500 to 1100 K. At implantation above 600 K the main portion of retained deuterium is released in a single peak centered at about 1000 K. The similar TDS peak is measured for D/BeO co-deposited layer. In addition we correlate our implantation data on BeO with the relevant data on beryllium metal and carbon. The interrelations between deuterium retention and microstructure are discussed. (orig.)

Study of the ionization rate of the released deuterium in vacuum arc discharges with metal deuteride cathodes

Science.gov (United States)

Liu, Fei-Xiang; Long, Ji-Dong; Zheng, Le; Dong, Pan; Li, Chen; Chen, Wei

2018-02-01

The ionization rate of the released deuterium from a metal deuteride cathode in vacuum arc discharges is investigated by both experiments and modeling analysis. Experimental results show that the deuterium ionization rate increases from 2% to 30% with the increasing arc current in the range of 2-100 A. Thus the full ionization assumption, as is widely used in arc plasma simulations, is not satisfied for the released deuterium at low discharge current. According to the modeling results, the neutral-to-ion conversion efficiency for the deuterium traveling across the cathodic spot region can be significantly less than one, due to the fast plasma expansion and rarefaction in the vacuum. In addition, the model also reveals that, unlike the metal atoms which are mainly ionized in the sheath region and flow back to the cathode, the deuterium ionization primarily occurs in the quasi-neutral region and moves towards the anode. Consequently, the cathodic sheath layer acts like a filter that increases the deuterium fraction beyond the sheath region.

Method for measuring deuterium in erbium deuteride films

International Nuclear Information System (INIS)

Brangan, J.R.; Thornberg, S.M.; Keenan, M.R.

1997-09-01

Determining the quantity of deuterium in an erbium deuteride (ErD 2 ) film is essential for assessing the quality of the hydriding process but is a challenging measurement to make. First, the ideal gas law cannot be applied directly due to high temperature (950 degrees C) and low temperature (25 degrees C) regions in the same manifold. Additionally, the metal hydride does not release all of the deuterium rapidly upon heating and metal evaporation occurs during extended heating periods. Therefore, the method developed must provide a means to compensate for temperature inhomogeneities and the amount of deuterium retained in the metal film while heating for a minimal duration. This paper presents two thermal desorption methods used to evaluate the kinetics and equilibria of the deuterium desorption process at high temperatures (950 degrees C). Of primary concern is the evaluation of the quantity of deuterium remaining in these films at the high temperature. A multiple volume expansion technique provided insight into the kinetics of the deuterium evolution and metal evaporation from the film. Finally a repeated pump-down approach yielded data that indicated approximately 10% of the deuterium is retained in the metal film at 950 degrees C and approximately 1 Torr pressure. When the total moles of deuterium determined by this method were divided by the moles of erbium determined by ICP/AES, nearly stochiometric values of 2:1 were obtained for several erbium dideuteride films. Although this work presents data for erbium and deuterium, these methods are applicable to other metal hydrides as well

Counter-diffusion and -permeation of deuterium and hydrogen through metals

Energy Technology Data Exchange (ETDEWEB)

Kizu, Kaname; Tanabe,; Tetsuo, [Nagoya Univ. (Japan)

1998-03-01

The first experiments for counter-diffusion and -permeation of deuterium and hydrogen through palladium were performed. Deuterium permeation rates against D{sub 2} pressure were measured under the condition where hydrogen permeated to opposite direction by supplying H{sub 2} gas at the permeated side of D{sub 2}. It was found that not a small amount of deuterium was clearly permeated even if the deuterium pressure was much smaller than the hydrogen pressure. Deuterium permeation rate was gradually reduced by increasing the counter H permeation. The deuterium permeation rate under the counter H permeation is well represented by a simple model in which the ratio of the deuterium permeation rates with and without the counter H permeation was proportional to the fractional concentration of deuterium in the bulk. As increasing the hydrogen counter flow, however, the deuterium permeation rate deviates from the model. This means that adsorption (absorption) of D{sub 2} from gas phase is inhibited and surface recombination of deuterium is blocked by hydrogen. (author)

Protein folding on the ribosome studied using NMR spectroscopy

Science.gov (United States)

Waudby, Christopher A.; Launay, Hélène; Cabrita, Lisa D.; Christodoulou, John

2013-01-01

NMR spectroscopy is a powerful tool for the investigation of protein folding and misfolding, providing a characterization of molecular structure, dynamics and exchange processes, across a very wide range of timescales and with near atomic resolution. In recent years NMR methods have also been developed to study protein folding as it might occur within the cell, in a de novo manner, by observing the folding of nascent polypeptides in the process of emerging from the ribosome during synthesis. Despite the 2.3 MDa molecular weight of the bacterial 70S ribosome, many nascent polypeptides, and some ribosomal proteins, have sufficient local flexibility that sharp resonances may be observed in solution-state NMR spectra. In providing information on dynamic regions of the structure, NMR spectroscopy is therefore highly complementary to alternative methods such as X-ray crystallography and cryo-electron microscopy, which have successfully characterized the rigid core of the ribosome particle. However, the low working concentrations and limited sample stability associated with ribosome–nascent chain complexes means that such studies still present significant technical challenges to the NMR spectroscopist. This review will discuss the progress that has been made in this area, surveying all NMR studies that have been published to date, and with a particular focus on strategies for improving experimental sensitivity. PMID:24083462

Study on the Effects of Oligo chitosan and Bioliquifert on Two Rice Mutants, NMR 151 and NMR 152

International Nuclear Information System (INIS)

Shakinah Salleh; Faiz Ahmad; Sobri Hussein

2016-01-01

Nuclear Malaysia has successfully developed two new rice mutants namely NMR 151 and NMR 152. In addition, Nuclear Malaysia has also successfully developed Oligo chitosan and liquid bio fertilizer (Bioliquifert). Oligo chitosan acts as elicitor that has been proven to be very effective in controlling disease infections and improving yield productivity. Bioliquifert on the other hand is a mixture of microbes containing major nutrient-providing microorganisms. The objective of this study is to observe the effects of Oligo chitosan and Bioliquifert on rice mutants, NMR 151 and NMR 152. The treatment was applied on 14 day old seedlings of MR 219, NMR 151 and NMR 152 sowed in 20 cm pots containing silty clay from the paddy soil of Tanjung Karang, Selangor. The seedlings were then placed in the greenhouse at Nuclear Malaysia until it reaches 110 days old. Study was conducted in a Complete Randomized Design (CRD) with 3 replications was used and each replication consisted of three plants. All treatments received compound and single dressing fertilizer as recommended by National Rice Production Package except for Treatment 2 and 3, in which Treatment 2 received Oligo chitosan and Bioliquifert while Treatment 3 only received Bioliquifert. Results on plant height, number of tiller and plant fresh weight are not significantly different for all cultivar except for seed dry weight of NMR 152 and MR 219. (author)

Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin

International Nuclear Information System (INIS)

Dieter, F.

1998-01-01

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: '' 2 H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' (6). Ch. Jager: ''Satellite Transition Spectroscopy of Quadrupolar Nuclei'' (7) and B.F. Chmelka and J.W. Zwanziger: ''Solid State NMR Line Narrowing Methods for Quadrupolar Nuclei - Double Rotation and Dynamic-Angle Spinning'' (8). A survey of nuclear quadrupole frequency data published before the end of 1982 is given by H. Chihara and N. Nakamura in Landolt-Bornstein, Vol. 20 (9). Values of the chemical shift of quadrupole nuclei in solids can be found in books such as ''Multinuclear NMR'' edited by J. Mason (10). In section 9 of ref (6) some electric field gradient and chemical shift data published from 1983 to 1992 for the most studied quadrupole nuclei sup 27 Al, sup 23 Na, and sup 17 O are given

Implanted deuterium retention and release in carbon-coated beryllium

International Nuclear Information System (INIS)

Anderl, R.A.; Longhurst, G.R.; Pawelko, R.J.; Oates, M.A.

1997-01-01

Deuterium implantation experiments have been conducted on samples of clean and carbon-coated beryllium. These studies entailed preparation and characterization of beryllium samples coated with carbon thicknesses of 100, 500, and 1000 angstrom. Heat treatment of a beryllium sample coated with carbon to a thickness of approximately 100 angstrom revealed that exposure to a temperature of 400 degrees C under high vacuum conditions was sufficient to cause substantial diffusion of beryllium through the carbon layer, resulting in more beryllium than carbon at the surface. Comparable concentrations of carbon and beryllium were observed in the bulk of the coating layer. Higher than expected oxygen levels were observed throughout the coating layer as well. Samples were exposed to deuterium implantation followed by thermal desorption without exposure to air. Differences were observed in deuterium retention and postimplantation release behavior in the carbon-coated samples as compared with bare samples. For comparable implantation conditions (sample temperature of 400 degrees C and an incident deuterium flux of approximately 6 X 10 19 D/m 2 sec), the quantity of deuterium retained in the bare sample was less than that retained in the carbon-coated samples. Further, the release of the deuterium took place at lower temperatures for the bare beryllium surfaces than for carbon-coated beryllium samples. 4 refs., 8 figs., 1 tab

NMR-Metabolic Methodology in the Study of GM Foods

Science.gov (United States)

The 1H NMR methodology used in the study of genetically modified (GM) foodstuff is discussed. The study of transgenic lettuce (Lactuca sativa cv "Luxor") over-expressing the KNAT1 gene from Arabidopsis is presented as a novel study-case. The 1H NMR metabolic profiling was carried out. Twenty-two wat...

Complementarity of deuterium and tritium measurements to study hailstone formation. An example

International Nuclear Information System (INIS)

Jouzel, Jean.

1975-12-01

The complementarity of deuterium and tritium measurement to study hailstone formation is presented and this method is applied to measurements made on three hailstones produced during a storm on August 7th 1971 in the province of Alberta (Canada). Firstly, the isotopic variations of condensed water in a hail cloud are studied on the basis of a cloud model as proposed by Chisholm. The importance of tritium analysis is demonstrated and conditions of validity of the isotopic model proposed by Merlivat, Nief and Roth in the case of deuterium are defined. The tritium measurement method used for analysis of small water samples and carrier out with an Oeschgger gas counter is described. The results connected with three Alberta hailstones are discussed. It is demonstrated particularly that these hailstones were formed during a succession of upward and downward movements, at least two of the latter occuring in the updraft core, and that the distribution of the updraft velocity with altitude was not stable during the storm which is in agreement with its multicellular nature [fr

Desorption dynamics of deuterium in CuCrZr alloy

Science.gov (United States)

Thi Nguyen, Lan Anh; Lee, Sanghwa; Noh, S. J.; Lee, S. K.; Park, M. C.; Shu, Wataru; Pitcher, Spencer; Torcy, David; Guillermain, David; Kim, Jaeyong

2017-12-01

Desorption behavior of deuterium (D2) in CuCrZr alloy was investigated considering sample thickness, loading and baking temperature of deuterium followed by the ITER scopes. Cylindrical specimens of 1, 3, 5 mm thick with 4 mm diameter were exposed to deuterium at a pressure of 25 bar at 120, 240 and 350 °C for 24 h, then baked at 800 °C in a vacuum chamber maintained at a pressure lower than 10-7 Torr. Deuterium desorption characteristics such as desorption rate and amount of deuterium in the sample were estimated by analyzing the desorption peaks monitored with a residual gas analyzer (RGA), and the trapping energy of deuterium was calculated using thermal desorption spectroscopy (TDS). Secondary ion mass spectroscopy (SIMS) results showed that deuterium atoms embedded in the sample at a depth of less than 15 μm and desorbed as low as 400 °C. All absorbed deuterium atoms in the specimen were completely retrieved by dynamic pumping at 800 °C in 15 min. The desorption rate of deuterium per unit area was inversely proportional to the increment of the thickness of the sample, and was proportional to the loading temperature. Based on the assumption that a uniform distribution of interstitial sites for deuterium follows the Femi-Dirac statistics, the result of TDS demonstrated that the CuCrZr alloy has two types of trapping energies, which were estimated to be 62 and 79 kJ/mol.

Nuclear effect study on nucleon structure functions, in comparison with antineutrino interactions on neon and deuterium

International Nuclear Information System (INIS)

Vallee, C.

1984-03-01

We have studied the nuclear effects on high energy antineutrino charged current interactions by comparing the data which were taken in the Bubble Chamber BEBC filled with Neon and Deuterium. On the one hand, the study of nuclear reinteractions gave us the possibility to estimate the formation time of hadrons. On the other hand, the comparison of structure functions does not show any significant difference between Neon and Deuterium. Though this result does not contradict the effects observed with charged leptons by the EMC and SLAC experiments, it is strongly incompatible with certain theoretical interpretations which implied a stronger effect in antineutrino interactions [fr

Partial molar volumes of hydrogen and deuterium in niobium and vanadium

International Nuclear Information System (INIS)

Herro, H.M.

1979-01-01

Lattice dilation studies and direct pressure experiments gave comparable values for the partial molar volumes of hydrogen and deuterium in niobium and vanadium. Small isotope effects in the partial molar volume of hydrogen were measured in both metals by the differential isotope method. Hydrogen had a larger partial molar volume than deuterium in niobium, but the reverse was true in vanadium. The isotope effect measured in niobium can be represented as being due to the larger amplitude of vibration of the hydrogen atom than the deuterium atom in the metal lattice. Since hydrogen has a larger mean displacement from the equilibrium position than does deuterium, the average force hydrogen exerts on the metal atoms is greater than the force deuterium exerts. The isotope effect in vanadium is likely a result of anharmonic effects in the lattice and local vibrational modes

Method of deuterium isotope separation using ethylene and ethylene dichloride

International Nuclear Information System (INIS)

Benson, S.W.

1982-01-01

Compounds enriched in deuterium may be obtained from ethylene, vinyl chloride, 1,2-dichloroethane, or propylene by laser isotope separation. Normal molecules of these organic compounds are exposed to infrared laser radiation of a suitable wavelength. Substantially all of the deuterium-containing molecules exposed to the laser can be selectively dissociated and the deuterium-containing products separated from the starting material and other reaction products. The deuterium-containing molecules can be burned to form water with an enriched deuterium content, or pyrolized to form hydrogen gas enriched in deuterium

Vibrational modes of deuterium in KD2PO4

International Nuclear Information System (INIS)

Mizoguchi, Kohji; Agui, Akane; Tominaga, Yasunori; Nakai, Yusuke; Ikeda, Susumu.

1993-01-01

In order to study the deuteration effect in hydrogen-bonded compounds such as KH 2 PO 4 , hydrogen and deuterium modes in KH 2 PO 4 and K(D x H 1-x ) 2 PO 4 (x = 95 %) were investigated by means of inelastic neutron-scattering measurements over a wide energy range. By comparing Raman spectra of KH 2 PO 4 and KD 2 PO 4 with neutron-scattering spectra, the vibrational modes of deuterium and those of PO 4 tetrahedrons in the energy range of 30 < ε < 150 meV have been investigated. At least two deuterium modes have been found at 87 meV and 106 meV. (author)

The hydrogen and deuterium concentrations in chondrites

International Nuclear Information System (INIS)

Robert, F.; Merlivat, L.

1978-01-01

Water and isotopic concentration of H 2 O + are reported. It shows a correlation between the water, the deuterium concentrations and the petrologic types of chondrites. The Chainpur meteorite has been divided into several mineralogical fractions and the results are reported. The results of Orgueil are also reported. The correlation shows that as the sulfate content increases, the water and deuterium contents decrease. The terrestrial contamination is discussed and possible deuterium variation models are presented

Experimental studies on hydrogen isotopic deuterium from gas to liquid phase by catalytic exchange

International Nuclear Information System (INIS)

Luo Yangming; Wang Heyi; Liu Jun; Fu Zhonghua; Wang Changbin; Han Jun; Xia Xiulong; Tang Lei

2005-01-01

The experimental studies on hydrogen isotopic deuterium from gas to liquid phase were completed by mixed ratio 1:4 of Pt-SDB hydrophobic catalyst and hydrophilic packing. The influencing factors on number of transfer units (NTU) and transformation efficiencies of deuterium were researched. The results show that preferable NTU can be obtained by choosing suitable operational temperature and flux of exchange gas. The transformation rate increases with increasing liquid flux, but it cannot obviously be improved when liquid flux attains some level. The length of catalytic column has an obvious influence on transformation rate and 90% of transformation rate is obtained by 4 m column length at gas flux with 2 m 3 /h, liquid flux with 1-2 kg/h and 45 degree C. (author)

Development of a new deuterium-deuterium (D-D) neutron generator for prompt gamma-ray neutron activation analysis.

Science.gov (United States)

Bergaoui, K; Reguigui, N; Gary, C K; Brown, C; Cremer, J T; Vainionpaa, J H; Piestrup, M A

2014-12-01

A new deuterium-deuterium (D-D) neutron generator has been developed by Adelphi Technology for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA), and fast neutron radiography. The generator makes an excellent fast, intermediate, and thermal neutron source for laboratories and industrial applications that require the safe production of neutrons, a small footprint, low cost, and small regulatory burden. The generator has three major components: a Radio Frequency Induction Ion Source, a Secondary Electron Shroud, and a Diode Accelerator Structure and Target. Monoenergetic neutrons (2.5MeV) are produced with a yield of 10(10)n/s using 25-50mA of deuterium ion beam current and 125kV of acceleration voltage. The present study characterizes the performance of the neutron generator with respect to neutron yield, neutron production efficiency, and the ionic current as a function of the acceleration voltage at various RF powers. In addition the Monte Carlo N-Particle Transport (MCNP) simulation code was used to optimize the setup with respect to thermal flux and radiation protection. Copyright © 2014 Elsevier Ltd. All rights reserved.

Deuterium retention in liquid lithium

International Nuclear Information System (INIS)

Baldwin, M.J.; Doerner, R.P.; Luckhardt, S.C.; Conn, R.W.

2002-01-01

Measurements of deuterium retention in samples of lithium exposed in the liquid state to deuterium plasma are reported. Retention was measured as a function of plasma ion dose in the range 6x10 19 -4x10 22 D atoms and exposure temperature between 523 and 673 K using thermal desorption spectrometry. The results are consistent with the full uptake of all deuterium ions incident on the liquid metal surface and are found to be independent of the temperature of the liquid lithium over the range explored. Full uptake, consistent with very low recycling, continues until the sample is volumetrically converted to lithium deuteride. This occurs for exposure temperatures where the gas pressure during exposure was both below and slightly above the corresponding decomposition pressure for LiD in Li. (author)

An Asymmetric Deuterium Labeling Strategy to Identify Interprotomer and Intraprotomer NOEs in Oligomeric Proteins

International Nuclear Information System (INIS)

Jasanoff, Alan

1998-01-01

A major difficulty in determining the structure of an oligomeric protein by NMR is the problem of distinguishing inter- from intraprotomer NOEs. In order to address this issue in studies of the 27 kD compact trimeric domain of the MHC class II-associated invariant chain, we compared the 13C NOESY-HSQC spectrum of a uniformly 13C-labeled trimer with the spectrum of the same trimer labeled with 13C in only one protomer, and with deuterium in the other two protomers. The spectrum of the unmixed trimer included both inter- and intraprotomer NOEs while the spectrum of the mixed trimer included only intraprotomer peaks. NOEs clearly absent from the spectrum of the mixed trimer could be confidently assigned to interprotomer interactions. Asymmetrically labeled trimers were isolated by refolding a 13C-labeled shorter form of the protein with a 2H-labeled longer form, chromatographically purifying trimers with only one short chain, and then processing with trypsin to yield only protomers with the desired N- and C-termini. In contrast to earlier studies, in which statistical mixtures of differently labeled protomers were analyzed, our procedure generated only a well-defined 1:2 oligomer, and no other mixed oligomers were present. This increased the maximum possible concentration of NMR-active protomers and thus the sensitivity of the experiments. Related methods should be applicable to many oligomeric proteins, particularly those with slow protomer exchange rates

Nuclear processes in deuterium/natural hydrogen-metal systems

International Nuclear Information System (INIS)

Zelensky, V.F.

2013-01-01

The survey presents the analysis of the phenomena taking place in deuterium - metal and natural hydrogen - metal systems under cold fusion experimental conditions. The cold fusion experiments have shown that the generation of heat and helium in the deuterium-metal system without emission of energetic gamma-quanta is the result of occurrence of a chain of chemical, physical and nuclear processes observed in the system, culminating in both the fusion of deuterium nuclei and the formation of a virtual, electron-modified excited 4He nucleus. The excitation energy of the helium nucleus is transferred to the matrix through emission of conversion electrons, and that, under appropriate conditions, provides a persistent synthesis of deuterium. The processes occurring in the deuterium/natural hydrogen - metal systems have come to be known as chemonuclear DD- and HD-fusion. The mechanism of stimulation of weak interaction reactions under chemonuclear deuterium fusion conditions by means of strong interaction reactions has been proposed. The results of numerous experiments discussed in the survey bear witness to the validity of chemonuclear fusion. From the facts discussed it is concluded that the chemonuclear deuterium fusion scenario as presented in this paper may serve as a basis for expansion of deeper research and development of this ecologically clean energy source. It is shown that the natural hydrogen-based system, containing 0.015% of deuterium, also has good prospects as an energy source. The chemonuclear fusion processes do not require going beyond the scope of traditional physics for their explanation

Deuterium as a tracer in coal liquefaction. Pt. 1

International Nuclear Information System (INIS)

Wilson, M.A.; Collin, P.J.; Barron, P.F.; Vassallo, A.M.

1982-01-01

Deuterium has been used to trace the pathways by which hydrogen reacts with an Australian bituminous coal (Liddell) in the presence of a nickel/molybdenum catalyst. The results show that at 400 0 C extensive scrambling of hydrogen and deuterium occurs among aromatic and α to aromatic aliphatic hydrogen and deuterium substituents. Deuterium can enter all structural groups in both asphaltene and hexane-soluble fractions of the coal-derived liquids, but it enters aromatic and α to aromatic groups in preference to alkyl groups remote from aromatic rings. Thus the results indicate that hydrogen atoms are very mobile during coal hydrogenation. Deuterium from deuterium oxide generated during conversion can also be incorporated into the coal-derived liquids. During coal hydrogenation, the eventual fate of much of the hydrogen in the gas phase is to substitute for hydrogen already in the coal. (Auth.)

NMR imaging studies of coal

Energy Technology Data Exchange (ETDEWEB)

Ma, Z.R.; Zhang, P.Z.; Ding, G.L.; Li, L.Y.; Ye, C.H. [University of Science and Technology, Beijing (China). Dept. of Chemistry

1996-06-01

The permeation transportation and swelling behavior of solvents into coal are investigated by NMR imaging using pyridine-d{sub 5} and acetone-d{sub 6}. Images of coal swollen with deuterated solvents illuminate proton distributions of mobile phases within the coal macromolecular networks. More information about the chemical and physical structure of coal can be obtained using NMR imaging techniques.

Synthesis of specifically deuterium-labelled pregnanolone and pregnanediol sulphates for metabolic studies in humans.

Science.gov (United States)

Baillie, T A; Sjövall, J; Herz, J E

1975-10-01

A synthesis is reported of 3beta-hydroxy-5alpha-pregnan-20-one sulphate and the disulphate and 3-monosulphate of 5alpha-pregnane-3beta,20alpha-diol, labelled specifically with deuterium in high isotopic purity for metabolic studies in humans. Base-catalyzed equilibration of 3beta-hydroxy-5alpha-25R-spirostan-12-one (hemcogenin, II) with deuterium oxide, followed by removal of the 12-keto group and degradation of the sapogenin side-chain afforded 3beta-hydroxy-5alpha-[11,11-2H2]pregn-16-en-20-one (VII). Further deuterium atoms were introduced at the 3alpha and 20beta positions by reductions with sodium borodeuteride and lithium aluminum deuteride, respectively. These reactions led to 3beta-hydroxy-5alpha-[3alpha,11,11-2H3]pregnan-20-one (X; isotopic purity 87.2%) and 5alpha-[3alpha,11,11,20beta-2H4]pregnane-3beta,20alpha-diol (XIV; isotopic purity 83.9%). The 3-sulphate of the pregnanolone and the 3,20-disulphate of the pregnanediol were prepared directly form the free alcohols, while the 3-monosulphate of the pregnanediol was obtained via 5alpha-[3alpha,11,11,20beta-2H4]pregnane-3beta,20alpha-diol 20-acetate (XVII).

NMR study of Albemoschus esculentus characterization

International Nuclear Information System (INIS)

Bathista, A.L.B.S; Silva, E.O.; Nogueira, Jose de S.; Tavares, M.I.B.

2001-01-01

The investigation of the main compounds presented in the Albemoschus esculentus has been carried out employing nuclear magnetic resonance spectroscopy (NMR), using solution and solid state NMR when it one was necessary. The evaluation of NMR data allowed us to characterize the main type of components presented in this kind of sample. It was necessary to use a total information from solid state NMR and also the solution response. From these information we could get that four main components were presented in this sample. One in the shell, that is cellulose, another one between the shell and seeds that is a polysaccharide and in the seed two components were found one is a starch and the second one is an oil, a triacylglycerol. These components are responsible by its physical chemistry properties. (author)

NMR studies of metallic tin confined within porous matrices

International Nuclear Information System (INIS)

Charnaya, E. V.; Tien, Cheng; Lee, M. K.; Kumzerov, Yu. A.

2007-01-01

119 Sn NMR studies were carried out for metallic tin confined within synthetic opal and porous glass. Tin was embedded into nanoporous matrices in the melted state under pressure. The Knight shift for liquid confined tin was found to decrease with decreasing pore size. Correlations between NMR line shapes, Knight shift, and pore filling were observed. The melting and freezing phase transitions of tin under confinement were studied through temperature dependences of NMR signals upon warming and cooling. Melting of tin within the opal matrix agreed well with the liquid skin model suggested for small isolated particles. The influence of the pore filling on the melting process was shown

Predicting big bang deuterium

Energy Technology Data Exchange (ETDEWEB)

Hata, N.; Scherrer, R.J.; Steigman, G.; Thomas, D.; Walker, T.P. [Department of Physics, Ohio State University, Columbus, Ohio 43210 (United States)

1996-02-01

We present new upper and lower bounds to the primordial abundances of deuterium and {sup 3}He based on observational data from the solar system and the interstellar medium. Independent of any model for the primordial production of the elements we find (at the 95{percent} C.L.): 1.5{times}10{sup {minus}5}{le}(D/H){sub {ital P}}{le}10.0{times}10{sup {minus}5} and ({sup 3}He/H){sub {ital P}}{le}2.6{times}10{sup {minus}5}. When combined with the predictions of standard big bang nucleosynthesis, these constraints lead to a 95{percent} C.L. bound on the primordial abundance deuterium: (D/H){sub best}=(3.5{sup +2.7}{sub {minus}1.8}){times}10{sup {minus}5}. Measurements of deuterium absorption in the spectra of high-redshift QSOs will directly test this prediction. The implications of this prediction for the primordial abundances of {sup 4}He and {sup 7}Li are discussed, as well as those for the universal density of baryons. {copyright} {ital 1996 The American Astronomical Society.}

Correlation between abnormal deuterium flux and heat flow in a D/Pd system

International Nuclear Information System (INIS)

Li Xingzhong; Liu Bin; Tian Jian; Wei Qingming; Zhou Rui; Yu Zhiwu

2003-01-01

Deuterium flux through the thin wall of a palladium tube has been studied by monitoring gas pressure and temperature. A high-precision calorimeter (Calvet) was used to detect heat flow when the heater was shut down and the palladium tube was cooling down slowly. At certain temperatures an abnormal deuterium flux appeared. This deuterium flux reached a peak when the temperature of the palladium was decreasing. This abnormal deuterium flux differs from the monotonic feature of a normal diffusive flux and is accompanied by a heat flow

Physics study of Canada deuterium uranium lattice with coolant void reactivity analysis

Energy Technology Data Exchange (ETDEWEB)

Park, Jin Su; Lee, Hyun Suk; Tak, Tae Woo; Lee, Deok Jung [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of); Shin, Ho Cheol [Korea Hydro and Nuclear Power Central Research Institute (KHNP-CRI), Daejeon (Korea, Republic of)

2017-02-15

This study presents a coolant void reactivity analysis of Canada Deuterium Uranium (CANDU)-6 and Advanced Canada Deuterium Uranium Reactor-700 (ACR-700) fuel lattices using a Monte Carlo code. The reactivity changes when the coolant was voided were assessed in terms of the contributions of four factors and spectrum shifts. In the case of single bundle coolant voiding, the contribution of each of the four factors in the ACR-700 lattice is large in magnitude with opposite signs, and their summation becomes a negative reactivity effect in contrast to that of the CANDU-6 lattice. Unlike the coolant voiding in a single fuel bundle, the 2 x 2 checkerboard coolant voiding in the ACR-700 lattice shows a positive reactivity effect. The neutron current between the no-void and voided bundles, and the four factors of each bundle were analyzed to figure out the mechanism of the positive coolant void reactivity of the checkerboard voiding case. Through a sensitivity study of fuel enrichment, type of burnable absorber, and moderator to fuel volume ratio, a design strategy for the CANDU reactor was suggested in order to achieve a negative coolant void reactivity even for the checkerboard voiding case.

Spin exchange in polarized deuterium

International Nuclear Information System (INIS)

Przewoski, B. von; Meyer, H.O.; Balewski, J.; Doskow, J.; Ibald, R.; Pollock, R.E.; Rinckel, T.; Wellinghausen, A.; Whitaker, T.J.; Daehnick, W.W.; Haeberli, W.; Schwartz, B.; Wise, T.; Lorentz, B.; Rathmann, F.; Pancella, P.V.; Saha, Swapan K.; Thoerngren-Engblom, P.

2003-01-01

We have measured the vector and tensor polarization of an atomic deuterium target as a function of the target density. The polarized deuterium was produced in an atomic beam source and injected into a storage cell. For this experiment, the atomic beam source was operated without rf transitions, in order to avoid complications from the unknown efficiency of these transitions. In this mode, the atomic beam is vector and tensor polarized and both polarizations can be measured simultaneously. We used a 1.2-cm-diam and 27-cm-long storage cell, which yielded an average target density between 3 and 9x10 11 at/cm 3 . We find that the tensor polarization decreases with increasing target density while the vector polarization remains constant. The data are in quantitative agreement with the calculated effect of spin exchange between deuterium atoms at low field

Dynamic fuel retention in tokamak wall materials: An in situ laboratory study of deuterium release from polycrystalline tungsten at room temperature

Energy Technology Data Exchange (ETDEWEB)

Bisson, R., E-mail: regis.bisson@univ-amu.fr [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France); Markelj, S. [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France); Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Mourey, O.; Ghiorghiu, F. [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France); Achkasov, K. [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France); CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France); Layet, J.-M.; Roubin, P.; Cartry, G. [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France); Grisolia, C. [CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France); Angot, T. [Aix Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille (France)

2015-12-15

Retention of deuterium ion implanted in polycrystalline tungsten samples is studied in situ in an ultra-high vacuum apparatus equipped with a low-flux ion source and a high sensitivity thermo-desorption setup. Retention as a function of ion fluence was measured in the 10{sup 17}–10{sup 21} D{sup +}·m{sup −2} range. By combining this new fluence range with the literature in situ experimental data, we evidence the existence of a retention ∝ fluence{sup 0.645±0.025} relationship which describes deuterium retention behavior on polycrystalline tungsten on 8 orders of magnitude of fluence. Evolution of deuterium retention as a function of the sample storage time in vacuum at room temperature was followed. A loss of 50% of the retained deuterium is observed when the storage time is increased from 2 h to 135 h. The role of the surface and of natural bulk defects on the deuterium retention/release in polycrystalline tungsten is discussed in light of the behavior of the single desorption peak obtained with Temperature Programmed Desorption.

DNA oligonucleotide conformations: high resolution NMR studies

International Nuclear Information System (INIS)

Mellema, J.-R.

1984-01-01

The present work describes a DNA double-helix model, which is well comparable with the models derived from fibre-diffraction studies. The model has a mononucleotide repeat with torsion angles in accordance with average geometries as derived from 1 H NMR studies. Special attention was paid to reduce the number of short H-H nonbonding contacts, which are abundantly present in the 'classical' fibre-diffraction models. Chapter 3 describes the first complete assignment of a 1 H NMR spectrum of a DNA tetramer, d(TAAT). Preliminary conformational data derived from the spectral parameters recorded at 27 0 C are given. A more detailed analysis employing temperature-dependence studies is given in Chapter 4. (Auth.)

Trapping of deuterium in krypton-implanted nickel

International Nuclear Information System (INIS)

Frank, R.C.; McManus, S.P.; Rehn, L.E.; Baldo, P.

1986-01-01

Krypton ions with energy 600 keV were implanted in nickel to fluences of 2 x 10 16 cm -2 under three different conditions. Deuterium was subsequently introduced into the implanted regions by electrolysis at room temperature. After the diffusible deuterium was permitted to escape, the 2 H( 3 He, 1 H) 4 He nuclear reaction was used to analyze for the trapped deuterium during an isochronal annealing program. The region implanted at 100 0 C with no higher temperature anneal had the largest number of traps; the region implanted at 100 0 C and annealed for 100 min at 500 0 C had considerably less; the region implanted at 500 0 C had the least. Electron diffraction patterns confirmed the existence of solid crystalline krypton in all three regions. Transmission electron microscope studies revealed precipitates with an average diameter of 8 nm in the region implanted at 500 0 C. The two regions implanted at 100 0 C contained smaller precipitates. Trap binding enthalpies were obtained by math modeling. In addition to the traps with binding enthalpy of 0.55 eV reported earlier by other investigators for helium implanted in nickel, a smaller number of traps with binding enthalpies up to 0.83 eV were also found. The trapping of deuterium by various types of imperfections, including the solid krypton precipitates, is discussed

Fine target of deuterium; Blanco fino de deuterio

Energy Technology Data Exchange (ETDEWEB)

Diaz Diaz, J; Granados Gonzalez, C E; Gutierrez Bernal, R

1959-07-01

A fine target of deuterium on a tantalum plate by the absorption method is obtained. In order to obtain the de gasification temperature an induction generator of high frequency is used and the deuterium pass is regulated by means of a palladium valve. Two vacuum measures are available, one to measure the high vacuum in the de gasification process of the tantalum plate and the other, for low vacuum, to measure the deuterium inlet in the installation and the deuterium pressure change in the installation after the absorption in the tantalum plate. A target of 48 {mu} gr/cm{sup 2} thick is obtained. (Author) 1 refs.

Deuterium fractionation in dense interstellar clouds

International Nuclear Information System (INIS)

Millar, T.J.; Bennett, A.; Herbst, E.

1989-01-01

The time-dependent gas-phase chemistry of deuterium fractionation in dense interstellar clouds ranging in temperature between 10 and 70 K was investigated using a pseudo-time-dependent model similar to that of Brown and Rice (1986). The present approach, however, considers much more complex species, uses more deuterium fractionation reactions, and includes the use of new branching ratios for dissociative recombinations reactions. Results indicate that, in cold clouds, the major and most global source of deuterium fractionation is H2D(+) and ions derived from it, such as DCO(+) and H2DO(+). In warmer clouds, reactions of CH2D(+), C2HD(+), and associated species lead to significant fractionation even at 70 K, which is the assumed Orion temperature. The deuterium abundance ratios calculated at 10 K are consistent with those observed in TMC-1 for most species. However, a comparison between theory and observatiom for Orion, indicates that, for species in the ambient molecular cloud, the early-time results obtained with the old dissociative recombination branching ratios are superior if a temperature of 70 K is utilized. 60 refs

Deuterium fractionation in dense interstellar clouds

Science.gov (United States)

Millar, T. J.; Bennett, A.; Herbst, Eric

1989-05-01

The time-dependent gas-phase chemistry of deuterium fractionation in dense interstellar clouds ranging in temperature between 10 and 70 K was investigated using a pseudo-time-dependent model similar to that of Brown and Rice (1986). The present approach, however, considers much more complex species, uses more deuterium fractionation reactions, and includes the use of new branching ratios for dissociative recombinations reactions. Results indicate that, in cold clouds, the major and most global source of deuterium fractionation is H2D(+) and ions derived from it, such as DCO(+) and H2DO(+). In warmer clouds, reactions of CH2D(+), C2HD(+), and associated species lead to significant fractionation even at 70 K, which is the assumed Orion temperature. The deuterium abundance ratios calculated at 10 K are consistent with those observed in TMC-1 for most species. However, a comparison between theory and observatiom for Orion, indicates that, for species in the ambient molecular cloud, the early-time results obtained with the old dissociative recombination branching ratios are superior if a temperature of 70 K is utilized.

Biotechnological Patents Applications of the Deuterium Oxide in Human Health.

Science.gov (United States)

da S Mariano, Reysla M; Bila, Wendell C; Trindade, Maria Jaciara F; Lamounier, Joel A; Galdino, Alexsandro S

2017-01-01

Deuterium oxide is a molecule that has been used for decades in several studies related to human health. Currently, studies on D2O have mobilized a "Race for Patenting" worldwide. Several patents have been registered from biomedical and technological studies of D2O showing the potential of this stable isotope in industry and health care ecosystems. Most of the patents related to the applications of the deuterium oxide in human health have been summarized in this review. The following patents databases were consulted: European Patent Office (Espacenet), the United States Patent and Trademark Office (USPTO), the United States Latin America Patents (LATIPAT), Patent scope -Search International and National Patent Collections (WIPO), Google Patents and Free Patents Online. With this review, the information was collected on recent publications including 22 patents related to deuterium oxide and its applications in different areas. This review showed that deuterium oxide is a promising component in different areas, including biotechnology, chemistry and medicine. In addition, the knowledge of this compound was covered, reinforcing its importance in the field of biotechnology and human health. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Deuterium content on surface waters VI to X Chile regions

International Nuclear Information System (INIS)

Aravena C, R; Pollastri J, A.; Suzuki S, O.

1984-01-01

One important parameter on any sitting study for a heavy water plant installation is the deuterium content of the feed water. Deuterium data on surface waters from differents areas located in the south of Chile, are presented. These results allow to idently some potential areas for a future heavy water plant. One of these areas, Lago Llanquihue, was sampled more in detail to study the vertical distribution and spatial variations. (Author)

NMR-Metabolic Methodology in the Study of GM Foods

Directory of Open Access Journals (Sweden)

Irene D’Amico

2010-01-01

Full Text Available The 1H-NMR methodology used in the study of genetically modified (GM foods is discussed. Transgenic lettuce (Lactuca sativa cv "Luxor" over-expressing the Arabidopsis KNAT1 gene is presented as a case study. Twenty-two water-soluble metabolites (amino acids, organic acids, sugars present in leaves of conventional and GM lettuce were monitored by NMR and quantified at two developmental stages. The NMR spectra did not reveal any difference in metabolite composition between the GM lettuce and the wild type counterpart. Statistical analyses of metabolite variables highlighted metabolism variation as a function of leaf development as well as the transgene. A main effect of the transgene was in altering sugar metabolism.

Synthesis of deuterium-labelled diclofenac sodium

International Nuclear Information System (INIS)

Leroy, D.; Richard, J.; Godbillon, J.

1993-01-01

Dicolofenac sodium labelled with deuterium in the phenylacetic ring was prepared from [ 2 H 5 ]-bromobenzene in a six-step reaction. It was found to be suitable for use in pharmacokinetic and bioavailability studies in man. (Author)

Determination of the Tautomeric Equilibria of Pyridoyl Benzoyl -Diketones in the Liquid and Solid State through the use of Deuterium Isotope Effects on 1H and 13C NMR Chemical Shifts and Spin Coupling Constants

DEFF Research Database (Denmark)

Hansen, Poul Erik; Borisov, Eugeny V.; Lindon, John C.

2015-01-01

The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on 1H and 13C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition......, in the solution state the 2-bond and 3-bond J(1H–13C) coupling constants have been used to confirm the equilibrium positions. The isotope effects due to deuteriation at the OH position are shown to be superior to chemical shift in determination of equilibrium positions of these almost symmetrical -pyridoyl......-benzoyl methanes. The assignments of the NMR spectra are supported by calculations of the chemical shifts at the DFT level. The equilibrium positions are shown to be different in the liquid and the solid state. In the liquid state the 4-pyridoyl derivative is at the B-form (C-1 is OH), whereas the 2-and 3-pyridoyl...

Deuterium absorption property of Al/Zr-V/Mo multifilms

International Nuclear Information System (INIS)

Wang Haifeng; Peng Shuming; Zhang Xiaohong; Long Xinggui; Yang Benfu

2005-01-01

Deuterium absorption property of Al/Zr-V/Mo multifilms was studied experimentally to explore the effect of Al film. There is only one desorption peak at 320 degree C for Al film, two desorption peaks at 220 degree C and 350 degree C for Zr-V film. When the average thickness of Al film is less than 0.6 μm, the desorption property of Al/Zr-V multifilms is just as Zr-V film, when it is more than 0.6 μm, just as Al film. Deuterium absorption by Al/Zr-V multifilms decreases as the thickness of Al film increases until 0.7 μm, then the deuterium absorption no longer changes significantly. The Al film of multifilms cracks on desorbing, so the absorption rate varies as Zr-V film when the thickness of Al film is less than 0.6 μ. When the thickness of Al film is more than 0.6 μm, the deuterium absorption rate of multifilm does not change with the thickness of Al film. (author)

Deuterium release from Li-D films exposed to atmospheric gases

Energy Technology Data Exchange (ETDEWEB)

Gasparyan, Yu. M., E-mail: YMGasparyan@mephi.ru [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoe highway 31, Moscow (Russian Federation); Popkov, A.S.; Krat, S.A.; Pisarev, A.A.; Vasina, Ya. A. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoe highway 31, Moscow (Russian Federation); Lyublinski, I.E. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoe highway 31, Moscow (Russian Federation); JSC “Red Star”, Electrolitniy proezd 1a, Moscow (Russian Federation); Vertkov, A.V. [JSC “Red Star”, Electrolitniy proezd 1a, Moscow (Russian Federation)

2017-04-15

Highlights: • The major part of deuterium desorbs from Li-D films in a very sharp peak at 670–710 K. • Exposure on air leads to intensive deuterium release from the Li-D film at room temperature. • Interaction with water vapor plays a major role in deuterium release from lithium films in the air. - Abstract: Deuterium release from Li-D films co-deposited on a Mo substrate at room temperature in magnetron discharge was investigated by means of thermal desorption spectroscopy. The deuterium concentration in the films was estimated to be D/Li = (14 ± 4)%. TDS from Li-D films just after co-deposition had a sharp peak at 670–710 K. Exposure of deposited Li-D films in the air at room temperature led to deuterium release. Comparison of release in air, water vapor, nitrogen, and oxygen demonstrated that water plays a major role in deuterium release in the air at low temperatures.

Deuterium absorption in Mg{sub 70}Al{sub 30} thin films with bilayer catalysts: A comparative neutron reflectometry study

Energy Technology Data Exchange (ETDEWEB)

Poirier, Eric [National Research Council Canada/Canadian Neutron Beam Centre, Bldg. 459, Chalk River Laboratories, Chalk River, ON, K0J 1J0 (Canada); Harrower, Chris T.; Kalisvaart, Peter [Chemical and Materials Engineering, University of Alberta and National Research Council Canada/National Institute for Nanotechnology, Edmonton, AB, T6G 2M9 (Canada); Bird, Adam [National Research Council Canada/Canadian Neutron Beam Centre, Bldg. 459, Chalk River Laboratories, Chalk River, ON, K0J 1J0 (Canada); Teichert, Anke [Helmholtz Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Instituut voor Kern-en Stralingsfysica and INPAC, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Laboratorium voor Vaste-Stoffysica en Magnetisme and INPAC, K.U. Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Wallacher, Dirk; Grimm, Nico; Steitz, Roland [Helmholtz Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Mitlin, David [Chemical and Materials Engineering, University of Alberta and National Research Council Canada/National Institute for Nanotechnology, Edmonton, AB, T6G 2M9 (Canada); Fritzsche, Helmut, E-mail: Helmut.Fritzsche@nrc-cnrc.gc.ca [National Research Council Canada/Canadian Neutron Beam Centre, Bldg. 459, Chalk River Laboratories, Chalk River, ON, K0J 1J0 (Canada)

2011-05-05

Highlights: > Mg{sub 70}Al{sub 30} thin films studied for hydrogen absorption using in situ neutron reflectometry. > Films with Ta/Pd, Ti/Pd and Ni/Pd bilayer catalysts systematically compared. > Measurements reveals deuterium spillover from the catalysts to the MgAl phase. > The use of Ti-Pd bilayer offers best results in terms of amount absorbed and kinetics. > Key results cross-checked with X-ray reflectometry. - Abstract: We present a neutron reflectometry study of deuterium absorption in thin films of Al-containing Mg alloys capped with a Ta/Pd, Ni/Pd and Ti/Pd-catalyst bilayer. The measurements were performed at room temperature over the 0-1 bar pressure range under quasi-equilibrium conditions. The modeling of the measurements provided a nanoscale representation of the deuterium profile in the layers at different stages of the absorption process. The absorption mechanism observed was found to involve spillover of atomic deuterium from the catalyst layer to the Mg alloy phase, followed by the deuteration of the Mg alloy. Complete deuteration of the Mg alloy occurs in a pressure range between 100 and 500 mbar, dependent on the type of bilayer catalyst. The use of a Ti/Pd bilayer catalyst yielded the best results in terms of both storage density and kinetic properties.

Direct depth distribution measurement of deuterium in bulk tungsten exposed to high-flux plasma

Directory of Open Access Journals (Sweden)

C. N. Taylor

2017-05-01

Full Text Available Understanding tritium retention and permeation in plasma-facing components is critical for fusion safety and fuel cycle control. Glow discharge optical emission spectroscopy (GD-OES is shown to be an effective tool to reveal the depth profile of deuterium in tungsten. Results confirm the detection of deuterium. A ∼46 μm depth profile revealed that the deuterium content decreased precipitously in the first 7 μm, and detectable amounts were observed to depths in excess of 20 μm. The large probing depth of GD-OES (up to 100s of μm enables studies not previously accessible to the more conventional techniques for investigating deuterium retention. Of particular applicability is the use of GD-OES to measure the depth profile for experiments where high deuterium concentration in the bulk material is expected: deuterium retention in neutron irradiated materials, and ultra-high deuterium fluences in burning plasma environment.

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.

Long Term Retention of Deuterium and Tritium in Alcator C-Mod

International Nuclear Information System (INIS)

FIORE, C.; LABOMBARD, B.; LIPSCHULTZ, B.; PITCHER, C.S.; SKINNER, C.H.; WAMPLER, WILLIAM R.

1999-01-01

We estimate the total in-vessel deuterium retention in Alcator C-Mod from a run campaign of about 1090 plasmas. The estimate is based on measurements of deuterium retained on 22 molybdenum tiles from the inner wall and divertor. The areal density of deuterium on the tiles was measured by nuclear reaction analysis. From these data, the in-vessel deuterium inventory is estimated to be about 0.1 gram, assuming the deuterium coverage is toroidally symmetric. Most of the retained deuterium is on the walls of the main plasma chamber, only about 2.5% of the deuterium is in the divertor. The D coverage is consistent with a layer saturated by implantation with ions and charge-exchange neutrals from the plasma. This contrasts with tokamaks with carbon plasma-facing components (PFC's) where long-term retention of tritium and deuterium is large and mainly in the divertor due to codeposition with carbon eroded by the plasma. The low deuterium retention in the C-Mod divertor is mainly due to the absence of carbon PFC's in C-Mod and the low erosion rate of Mo

Deuterium microscopy using 17 MeV deuteron–deuteron scattering

Energy Technology Data Exchange (ETDEWEB)

Reichart, Patrick, E-mail: patrick.reichart@unibw.de; Moser, Marcus; Greubel, Christoph; Peeper, Katrin; Dollinger, Günther, E-mail: guenther.dollinger@unibw.de

2016-03-15

Using 17 MeV deuterons as a micrometer focused primary beam, we performed deuterium microscopy by using the deuteron–deuteron (dd) scattering reaction. We describe our new box like detector setup consisting of four double sided silicon strip detectors (DSSSD) with 16 strips on each side, each covering up to 0.5 sr solid angle for coincidence detection. This method becomes a valuable tool for studies of hydrogen incorporation or dynamic processes using deuterium tagging. The background from natural hydrocarbon or water contamination is reduced by the factor 150 ppm of natural abundance of deuterium in hydrogen. Deuterium energies of up to 25 MeV, available at the microprobe SNAKE, are ideal for the analysis of thin freestanding samples so that the scattered particles are transmitted to the detector. The differential cross section for the elastic scattering reaction is about the same as for pp-scattering (~100 mb/sr). The main background due to nuclear reactions is outside the energy window of interest. Deuteron–proton (dp) scattering events give an additional signal for hydrogen atoms, so the H/D-ratio can be monitored in parallel. A deuterium detection limit due to accidental coincidences of 3 at-ppm down to less than 1 at-ppm is demonstrated on deuterated polypropylen sheets as well as thick polycarbonate sheets after various stages of coincidence filtering that is possible with our granular detector.

Selected bibliography on deuterium isotope effects and heavy water

International Nuclear Information System (INIS)

Dave, S.M.; Donde, M.M.

1983-01-01

In recent years, there has been a great deal of interest in using deuterium and heavy water not only in nuclear industry but also in various fields of basic as well as applied research in physics, chemistry and biology. As a result, the literature is being enriched with a large number of research papers and technical reports published each year. Thus, to enable the scientists to have an easy reference to these works, an endeavour has been made in this selected bibliography, to enlist the publications related to these fields. Since the interest is concerned mainly with heavy water production processes, deuterium isotope effects etc., several aspects (e.g. nuclear) of deuterium have not been covered here. The material in this bibliography which cites 2388 references has been classified under six broad headings, viz. (1) Production of heavy water, (2) Study of deuterium isotope effects, (3) Analysis and Properties of heavy water, (4) Laser Separation of deuterium, (5) Isotopic exchange reactions, and (6) Miscellaneous. The sources of information used for this compilation are chemical abstracts, nuclear science abstracts, INIS Atomindex and also some scattered search through journals and reports available in the B.A.R.C. library. However, in spite of sincere attempts for a wide coverage, no claim is being made towards the exhaustiveness of this bibliography. (author)

Kinetic studies on the hafnium nad deuterium

International Nuclear Information System (INIS)

Bing Wenzeng; Long Xinggui; Zhu Zuliang

2009-04-01

Through the method of reaction rate analysis in a constant volume reactor, the time dependence of the pressure drop of the hafnium deuteride formation are studied over a temperature range 573-873 K on a metal hydride thermodynamic and kinetic parameters measuring apparatus. The rate constants of the hafnium deuteride formation, which are 0.0530 s -1 , 0.0452 s -1 , 0.0319 s -1 , 0.0261 s -1 , are calculated at a serial temperatures of 573 K, 673 K, 773 K, 873 K and the initial pressure of 13 kPa. The activation energy of the reaction is (-10.1±1.5) kJ·mol -1 . Comparing the above results with those of titanium deuteride formation on the same measuring apparatus, the kinetic mechanism of the deuteride formation of hafnium and titanium is considered different. It is concluded that the reaction rate of hafnium absorbing deuterium may be controlled by phase transformation and surface oxidation. (authors)

NMR study of LaPb2

International Nuclear Information System (INIS)

Ueda, K.; Kohara, T.; Yamada, Y.

1995-01-01

La and Pb NMR signals were observed in LaPb 2 with a superconducting transition temperature of about 7 K. The width of the Pb NMR spectrum with an asymmetric line shape was rather narrower than those of Er-, Gd- and Ho-Pb 2 . The spin-lattice relaxation time of Pb nuclei was twice longer than that of Pb metal. La NMR spectrum had satellites due to the electric quadrupole interaction. These results show that each local environment at La or Pb site in LaPb 2 compound is uniquely determined, compared with those in randomly substituted alloys. ((orig.))

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.

Deuterium and big bang nucleosynthesis

International Nuclear Information System (INIS)

Burles, S.

2000-01-01

Measurements of deuterium absorption in high redshift quasar absorption systems provide a direct inference of the deuterium abundance produced by big bang nucleosynthesis (BBN). With measurements and limits from five independent absorption systems, we place strong constraints on the primordial ratio of deuterium to hydrogen, (D/H) p = 3.4 ± 0.3 x 10 -5 [1,2]. We employ a direct numerical treatment to improve the estimates of critical reaction rates and reduce the uncertainties in BBN predictions of D/H and 7 Li/H by a factor of three[3] over previous efforts[4]. Using our measurements of (D/H) p and new BBN predictions, we find at 95% confidence the baryon density ρ b = (3.6 ± 0.4) x 10 -31 g cm -3 (Ω b h 2 65 = 0.045 ± 0.006 in units of the critical density), and cosmological baryon-photon ratio η = (5.1 ± 0.6) x 10 -10

Phospholipids chiral at phosphorus. Dramatic effects of phosphorus chirality on the deuterium NMR properties of the choline head group of phospholipids in the liquid crystalline phase

International Nuclear Information System (INIS)

Loffredo, W.M.; Jiang, Rutai; Tsai, Mingdaw

1990-01-01

To probe the motional and conformational propertis of the choline head group of 1,2-dipalmitoyl-sn-glycero-3-thiophosphocholine (DPPsC), the R p , S p , and R p + S p isomers of [α-D 2 ]DPPsC, [β-D 2 ]DPPsC, and [δ-D 9 ]DPPsC in the subgel, gel, and liquid crystalline phases were investigated with deuterium NMR, and the results were compared with those of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) labeled at the same positions. In the subgel phase (5 degree C) all isomers of [α-D 2 ]DPPsC and [β-D 2 ]DPPsC displayed amorphous line shapes characteristic of a restricted and disordered motional environment, whereas [δ-D 9 ]DPPsC showed narrower and symmetric line shapes indicating substantial motions. For all three labeled positions the apparent line width of the R p isomer is larger than those of S p and R p + S p isomers, and the amorphous line shape of the R p isomer also persists at 25 and 35 degree C. These results indicate that the motional and conformational properties of the C α -C β segment of DPPsC is very sensitive to the configuration at phosphorus. Structurally, this provides strong support for noncovalent interactions between the quaternary ammonium group of choline and the phosphate group of a neighboring molecule in the bilayers of phosphatidylcholine and suggests that such interactions are important to the motion of the choline chain

From proton nuclear magnetic resonance spectra to pH. Assessment of {sup 1}H NMR pH indicator compound set for deuterium oxide solutions

Energy Technology Data Exchange (ETDEWEB)

Tynkkynen, Tuulia, E-mail: tuulia.tynkkynen@uku.fi [Laboratory of Chemistry, Department of Biosciences, University of Kuopio, PO Box 1627, 70211 Kuopio (Finland); Tiainen, Mika; Soininen, Pasi; Laatikainen, Reino [Laboratory of Chemistry, Department of Biosciences, University of Kuopio, PO Box 1627, 70211 Kuopio (Finland)

2009-08-19

In this study, a protocol for pH determination from D{sub 2}O samples using {sup 1}H NMR pH indicator compounds was developed and assessed by exploring the pH-dependency of 13 compounds giving pH-dependent {sup 1}H NMR signals. The indicators cover the pH range from pH* 0 to 7.2. Equations to transform the indicator chemical shifts to pH estimates are given here for acetic acid, formic acid, chloroacetic acid, dichloroacetic acid, creatine, creatinine, glycine, histidine, 1,2,4-triazole, and TSP (2,2,3,3-tetradeutero-3-(trimethylsilyl)-propionic acid). To characterize the method in presence of typical solutes, the effects of common metabolites, albumin and ionic strength were also evaluated. For the ionic strengths, the effects were also modelled. The experiments showed that the use of pH sensitive {sup 1}H NMR chemical shifts allows the pH determination of typical metabolite solutions with accuracy of 0.01-0.05 pH units. Also, when the ionic strength is known with accuracy better than 0.1 mol dm{sup -3} and the solute concentrations are low, pH{sub nmr}{sup *} (the NMR estimate of pH) can be assumed to be within 0.05 pH units from potentiometrically determined pH.

Contribution of NAD 2D-NMR in liquid crystals to the determination of hydrogen isotope profile of methyl groups in miliacin

Science.gov (United States)

Berdagué, Philippe; Lesot, Philippe; Jacob, Jérémy; Terwilliger, Valery J.; Le Milbeau, Claude

2016-01-01

The hydrogen isotopic composition (δD or (D/H) value) of molecular biomarkers preserved in sedimentary archives is increasingly used to provide clues about the evolution of past climatic conditions. The rationale is that intact biomarkers retain isotopic information related to the climatic conditions that prevailed at the time of their synthesis. Some of these biomarkers may be degraded during diagenesis, however. The extent to which these degradations alter the original δD value of the source biomarker is presently debated and the capacity to resolve this question by determination of compound-specific δD values alone is limited. The ;bulk; or ;global; δD value of any molecule is in fact a composite of δD values at each site within this molecule (δDi or (D/H)i with i = number of hydrogen/deuterium atoms in the considered molecule). Determination of this site-specific δDi value in biomarkers could not only yield outstanding paleoenvironmental information but also help forecast the impacts of diagenesis and define essential steps in biosynthetic pathways. This task is analytically challenging. Here, we examined the capabilities of natural abundance deuterium 2D-NMR (NAD 2D-NMR) using homopolypeptide liquid crystals as an NMR solvent to: (i) analyze the NAD spectra of biomakers; (ii) determine the site-specific distribution of hydrogen in the nine methyl groups (δDMei with i = 23-31) of miliacin, a pentacyclic triterpene of the amyrin family and key biomarker for broomcorn millet in sedimentary archives. Relative (D/H)Mei values were established by anisotropic NAD 2D-NMR. Then absolute δDMei values were obtained by determining δDMei value of the methoxy group of miliacin using two independent approaches: isotropic NAD NMR (SNIF-NMR™) and GC-irMS. The resulting isotope profile for miliacin shows, for the first time, large variations in δDMei values that can directly be explained by biosynthetic processes. This approach has also the potential to permit

Neutron-diffraction localization of deuterium in Ti6OD0,45 alloy

International Nuclear Information System (INIS)

Sumin, V.V.; Fadeev, N.V.; Morozov, S.I.

1987-01-01

Attemp to localize hydrogen in TiO alloy octahedral internodes was made by independent method. To do this, deuterium and hydrogen interstitial solid solutions in titanium were studied by neutron-diffraction method. Deuterium localization in crystal lattice is considerably more reliable, than hydrogen localization due to low noncoherent cross-section of neutron scattering by deuterium. Phase analysis of TiO samples with different deuterium content has shown, that alloys remain singlephase, at least, up to D/O≤1/2 composition. Second phase presence in a sample was determined with accuracy of up to ∼1%, that was proved by phase mixing-in method. Deuterium distribution analysis was conducted for Ti 6 O alloy. It is shown, that presence of oxigen atoms within titanium matrix provides conditions for hydrogen and deuturium localization in octacell layers, which are partially filled with oxygen atoms. Here, hydrogen (Deuterium) forms with oxygen O-H pairs (D), placed in plane parallel to basis HCP of titanium lattice. The most possible characteristic distance between oxygen and hydrogen atoms constitutes a 0 =2,96A (a o -HCP parameter of Ti lattice in Ti 6 O alloy)

Permeation of deuterium implanted into vanadium alloys

International Nuclear Information System (INIS)

Anderl, R.A.; Longhurst, G.R.; Struttmann, D.A.

1986-05-01

Permeation of deuterium through the vanadium alloy, V-15Cr-5Ti, was investigated using 3-keV, D 3 + ion beams from a small accelerator. The experiments consisted of measurements of the deuterium reemission and permeation rates as a function of implantation fluence for 0.5-mm thick specimens heated to tempertures from 623 to 823 0 K. Implantation-side surface characterization was made by simultaneous measurements of sputtered ions with a secondary ion mass spectrometer (SIMS). Analyses of these measurements indicate that for the experimental conditions used, the steady-state deuterium permeation flux in V-15Cr-5Ti is approximately 18% of the implantation flux. This corresponds to approximately 1000 times that seen in the ferritic steel, HT-9, under comparable conditions. Measurement of deuterium diffusivity in V-15Cr-5Ti using permeation break-through times indicates D = 1.4 x 10 -8 exp(-.11 eV/kT) (m 2 /s)

Liquid hydrogen and deuterium targets

International Nuclear Information System (INIS)

Bougon, M.; Marquet, M.; Prugne, P.

1961-01-01

A description is given of 1) Atmospheric pressure target: liquid hydrogen, 400 mm thickness; thermal insulation: styrofoam; the hydrogen vapors are used to improve the target cooling; Mylar windows. 2) Vacuum target: 12 liter content: hydrogen or deuterium; liquid thickness 400 mm; thermal insulation is afforded by a vacuum vessel and a liquid nitrogen shield. Recovery and liquefaction of deuterium vapors are managed in the vacuum vessel which holds the target. The target emptying system is designed for operating in a few minutes. (author) [fr

Energy Levels of Hydrogen and Deuterium

Science.gov (United States)

SRD 142 NIST Energy Levels of Hydrogen and Deuterium (Web, free access)   This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.

Deuterium implantation into Y{sub 2}O{sub 3}-doped and pure tungsten: Deuterium retention and blistering behavior

Energy Technology Data Exchange (ETDEWEB)

Zhao, M. [School of Materials Science and Engineering, University of Science and Technology, Beijing, Beijing 100083 (China); Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, Garching 85748 (Germany); Jacob, W., E-mail: wolfgang.jacob@ipp.mpg.de [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, Garching 85748 (Germany); Manhard, A.; Gao, L.; Balden, M.; Toussaint, U. von [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, Garching 85748 (Germany); Zhou, Z. [School of Materials Science and Engineering, University of Science and Technology, Beijing, Beijing 100083 (China)

2017-04-15

The blistering and near-surface deuterium retention of a Y{sub 2}O{sub 3}-doped tungsten (W) and two different pure W grades were studied after exposure to deuterium (D) plasma at elevated temperatures (370, 450 and 570 K). Samples were exposed to a deuterium fluence of 6 × 10{sup 24} D m{sup −2} applying a moderate ion flux of about 9 × 10{sup 19} D m{sup −2} s{sup −1} at an ion energy of 38 eV/D. Morphological modifications at the surface were analyzed by confocal laser scanning microscopy and scanning electron microscopy. The D depth profiles and the accumulated D inventories within the topmost 8 μm were determined by nuclear reaction analysis. Blistering and deuterium retention were strongly dependent on the implantation temperature. In addition, blistering was sensitively influenced by the used tungsten grade, although the total amount of retained D measured by nuclear reaction analysis was comparable. Among the three different investigated tungsten grades, Y{sub 2}O{sub 3}-doped W exhibited the lowest degree of surface modification despite a comparable total D retention. - Highlights: •Y{sub 2}O{sub 3}-doped W and 2 pure W were exposed to D plasma at 370, 450 and 570 K. •D retention in all 3 materials is comparable. •D plasma exposure leads to blister formation on all investigated W grades. •Blister morphology and size distribution depend strongly on W grade. •Y{sub 2}O{sub 3}-doped W shows the lowest degree of surface modification.

Simulation for Synthesis of Tritiated Styrene by Catalyzed Addition of Deuterium

Directory of Open Access Journals (Sweden)

CUI Xiao-jing;KANG Yi;HU Shi-lin

2016-08-01

Full Text Available Tritiated styrene plays an important role in the organic tritium lights, which could be made by selective hydrogenation of phenylacetylene. A simulated reaction of the preparation of tritiated styrene was studied by using deuterium instead of tritium and using the Lindlar catalyst instead of Pd/C catalyst to improve the conversion and selectivity of the reaction. Experiment results showed that stirring speed, temperature and the amount of deuterium were the most important factors to effect the conversion and selectivity of the reaction. The relative stronger stirring speed and higher temperature could improve the conversion rate of the reaction, but could not change the selectivity. When the excessive or less deuterium was added in the reaction, the selectivity was decreased significantly, since the over deuterium promoted the reaction toward ethylbenzene. Lindlar catalyst exhibited higher selectivity toward styrene than Pd/C.

Successful Sampling Strategy Advances Laboratory Studies of NMR Logging in Unconsolidated Aquifers

Science.gov (United States)

Behroozmand, Ahmad A.; Knight, Rosemary; Müller-Petke, Mike; Auken, Esben; Barfod, Adrian A. S.; Ferré, Ty P. A.; Vilhelmsen, Troels N.; Johnson, Carole D.; Christiansen, Anders V.

2017-11-01

The nuclear magnetic resonance (NMR) technique has become popular in groundwater studies because it responds directly to the presence and mobility of water in a porous medium. There is a need to conduct laboratory experiments to aid in the development of NMR hydraulic conductivity models, as is typically done in the petroleum industry. However, the challenge has been obtaining high-quality laboratory samples from unconsolidated aquifers. At a study site in Denmark, we employed sonic drilling, which minimizes the disturbance of the surrounding material, and extracted twelve 7.6 cm diameter samples for laboratory measurements. We present a detailed comparison of the acquired laboratory and logging NMR data. The agreement observed between the laboratory and logging data suggests that the methodologies proposed in this study provide good conditions for studying NMR measurements of unconsolidated near-surface aquifers. Finally, we show how laboratory sample size and condition impact the NMR measurements.

Meaning of the Deuterium excess in the interpretation of δ 18O and δ 2H stable isotopes in hydrogeological studies

International Nuclear Information System (INIS)

Valencia, Jacinto

2013-01-01

An analysis element that helps with information on the interpretation of stable isotopes δ 18 O and deuterium in hydrogeological studies is called deuterium excess δ. In the present study, it has been used to interpret the weather, evaporation, humidity and wind conditions at the time of the precipitation in the Altiplano region of Puno, which have led to leaks of mine under study. The values obtained from the calculation of the deuterium excess δ of the seepage water samples are in the order of +15o/oo, indicating that the characteristics of the rainfall in the region have dominated high land desert climate conditions, different the current, ie, low humidity at the time of precipitation and further filtering these waters have received contribution of close water basin, evaporated and could come from Lake Titicaca. (author).

[The Qualitative Analysis of the Amide Derivative of HLDF-6 Peptide and Its Metabolites with the Use of Tritium- and Deuterium-Labeled Derivatives].

Science.gov (United States)

Zolotarev, A; Dadayan, A K; Kost, N V; Voevodina, M E; Sokolov, O Y; Kozik, V S; Shram, S I; Azev, V N; Bocharov, E V; Bogachouk, A P; Lipkin, V M; Myasoedov, N F

2015-01-01

The goal of the study was to elaborate the pharmacokinetics methods of the amide derivative of peptide HLDF-6 (TGENHR-NH2) and its range of nootropic and neuroprotective activity is wide. The hexapeptide 41TGENHR46 is a fragment of the HDLF differentiation factor. It forms the basis for the development of preventive and therapeutic preparations for treating cerebrovascular and neurodegenerative conditions. Pharmacokinetic and molecular mechanisms of the action of the HLDF-6 peptide were studied using tritium- and deuterium-labeled derivatives of this peptide, produced with the use of the high-temperature solid-state catalytic isotope exchange reaction (HSCIE). This reaction was employed to produce the tritium-labeled peptide [3H]TGENHR-NH2 with a molar radioactivity of 230 Ci/mmol and the deuterium-labeled peptide [2H]TGENHR-NH2 with an average deuterium incorporation equal to 10.5 atoms. It was shown by the NMR spectroscopy that the isotope label distribution over the labeled peptide's molecule was uniform, which allowed qualitative analysis ofboth the peptide itself and its fragments in the organism's tissues to be conducted. The newly developed pharmacokinetics method makes it possible to avoid almost completely losses of the peptides under study due to biodegradation during the analysis of tissues. These labeled peptides were used in mice, rats and rabbits to study the pharmacokinetics of the peptide and to calculate the values of its principal pharmacokinetic parameters. Characteristics of its pharmacokinetic profile in the blood were obtained, the hypothesis of pharmacokinetics linearity tested, its metabolism analyzed and its bioavailability value, 34%, calculated. It has been shown that the studied TGENHR-NH2 peptide shows high resistance to hydrolysis in the blood plasma, with dipeptidyl aminopeptidases making the largest contribution to its hydrolysis.

Site occupation state of deuterium atoms in fcc Fe

International Nuclear Information System (INIS)

Aoki, Katsutoshi; Machida, Akihiko; Saitoh, Hiroyuki; Hattori, Takanori; Sano-Furukawa, Asami

2015-01-01

The deuterization process of fcc Fe to form solid-solution fcc FeD x was investigated by in situ neutron diffraction measurements at high temperature and high pressure. In a completely deuterized specimen at 988 K and 6.3 GPa, deuterium atoms occupy the octahedral and tetrahedral interstitial sites with an occupancy of 0.532(9) and 0.056(5), respectively, giving a deuterium composition x of 0.64(1). During deuterization, the metal-lattice expands approximately linearly with deuterium composition at a rate of 2.21 Å 3 per deuterium atom. The minor occupation of tetrahedral site is likely driven by the intersite movement of deuterium atoms along the <111> direction in the fcc metal lattice. These results provide implications for the light elements in the Earth's core and the mechanism of hydrogen embrittlement of ferrous metals. (author)

Deuterium Excess of Waters in Slovenia. Preliminary Results

Energy Technology Data Exchange (ETDEWEB)

Brencic, M.; Torkar, A. [Faculty of Natural Sciences and Engineering, University of Ljubljana, Ljubljana (Slovenia); Vreca, P. [Jozef Stefan Institut, Department of Environmental Sciences, Ljubljana (Slovenia)

2013-07-15

In climatic and hydrological studies, deuterium excess has proven to be a useful parameter; therefore this parameter has been investigated in the waters of slovenia - positioned in central europe. All the data were acquired from publicly available data sources (e.g. journals, databases). Data were collected for four different parts of the water cycle: precipitation, surface water, groundwater and water in the unsaturated zone. For precipitation the value for deuterium excess ranges between -19.9 per mille and 28.8 per mille with the median at 10.1 per mille. Surface water has the minimum at 2.9 per mille, the maximum at 22.4 per mille and the median at 13.2 per mille. Values for groundwater vary between -17.7 per mille and 34.9 per mille with the median at 11.8 per mille. Median for deuterium excess for the unsaturated zone is 15.1 per mille and the values are between -2.8 per mille and 17.6 per mille. (author)

Feasibility study of electron-scattering experiments with a tensor-polarized deuterium target in an electron storage ring

International Nuclear Information System (INIS)

Holt, R.J.; Geesaman, D.F.; Goodman, L.S.

1985-01-01

The feasibility of using a spin-exchange optical-pumping method to produce a high flux of tensor-polarized deuterium atoms is being tested. In this method, alkali atoms are polarized by optical pumping and the polarization is transferred to deuterium by successive spin-exchange collisions. In a test with a simple model the authors achieved 10 mW of laser power absorbed to the spin-exchange process with deuterium. Construction of a more sophisticated prototype was completed and tests are in progress. Dissociation fractions in excess of 80% for deuterium molecules have been achieved thus far. In order to optimize the performance of the prototype target, a computerized model of the target was constructed. A section of a differential-pumping system was constructed and tested. It was possible to sustain more than the required 5 orders-of-magnitude pressure drop in a distance of approximately 1.5 m

Transient effects during erosion of WN by deuterium ions studied with the quartz crystal microbalance technique

Energy Technology Data Exchange (ETDEWEB)

Berger, Bernhard M., E-mail: berger@iap.tuwien.ac.at [Institute of Applied Physics, TU Wien, Fusion@ÖAW, Wiedner Hauptstr. 8-10, 1040 Vienna (Austria); Stadlmayr, Reinhard [Institute of Applied Physics, TU Wien, Fusion@ÖAW, Wiedner Hauptstr. 8-10, 1040 Vienna (Austria); Meisl, Gerd [Max-Planck-Institut für Plasmaphysik, Boltzmannstraße 2, 85748 Garching (Germany); Čekada, Miha [Jožef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Eisenmenger-Sittner, Christoph [Institute of Solid State Physics, TU Wien, Wiedner Hauptstr. 8-10, 1040 Vienna (Austria); Schwarz-Selinger, Thomas [Max-Planck-Institut für Plasmaphysik, Boltzmannstraße 2, 85748 Garching (Germany); Aumayr, Friedrich, E-mail: aumayr@iap.tuwien.ac.at [Institute of Applied Physics, TU Wien, Fusion@ÖAW, Wiedner Hauptstr. 8-10, 1040 Vienna (Austria)

2016-09-01

Transient effects during erosion of polycrystalline tungsten-nitride (WN) films by mono-energetic deuterium projectiles are studied using a quartz crystal microbalance technique. The evolution of the mass removal rate of a 360 nm thin WN film under 500 eV/D and 1000 eV/D bombardment is investigated at a temperature of 465 K in situ and in real-time as a function of the deuterium fluence. The measurements are performed at a typical flux of 10{sup 18} m{sup −2} s{sup −1}. A strong dependency of the observed mass change rate on the deuterium fluence is found. The mass loss is initially higher than for pure tungsten (W) and drops with fluence, finally reaching the same steady state value as for pure W sputtering. Steady state surface conditions are obtained at a fluence of about 0.2 × 10{sup 23} D/m{sup 2} for 500 eV/D and 0.6 × 10{sup 23} D/m{sup 2} for 1000 eV/D. SDTrimSP simulations indicate a preferential removal of N and a corresponding W enrichment of the surface.

A comparative study of bone scintigraphy and NMR for vertebral diseases

International Nuclear Information System (INIS)

Nakatani, Mariko; Sekiya, Toru; Hata, Yuichi; Mori, Yutaka; Yasuda, Masanobu; Kawakami, Kenji; Tada, Sinpei

1985-01-01

A comparative study of NMR and bone scintigraphy was performed in vertebral disorders, and the significance of both modalities was evaluated. Twelve patients with various vertebral abnormalities including ten cases of vertebral metastases, one case of cervical caries and one case of Granular cell tumor of L3, were examined. In 4 patients, NMR showed abnormalities in the same regions as the bone scintigrams. In another 3 patients. NMR did not show the disorders reported on bone scintigrams. This may be due to the low NMR sensitivity to tiny infiltration of tumor cells in the bone marrow. In 3 out of the remaining 5 patients, NMR demonstrated abnormal findings, whilst the bone scintigrams were normal. Previous bone scintigrams in these patients before treatment had shown abnormal accumulation of activity in the region of abnormal NMR findings. This may be due to the fact that NMR detects the irreversible change of bone marrow, and bone scintigram demonstrates the turn over of bone minerals. This limited experience suggests that both madalities are complementary in the evaluation of vertebral abnormalities. (author)

Deuterium retention and desorption behavior in an advanced reduced-activation alloy

Energy Technology Data Exchange (ETDEWEB)

Noh, S.J., E-mail: sjnoh@dankook.ac.kr [Department of Applied Physics, Dankook University, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of); Kim, H.S.; Byeon, W.J.; Shin, H.W. [Department of Applied Physics, Dankook University, Yongin-si, Gyeonggi-do 448-701 (Korea, Republic of); Lee, Cheol Eui [Department of Physics, Korea University, Seoul 136-713 (Korea, Republic of); Lee, S.K. [Nuclear Fusion Development Division, Korea Atomic Energy Research Institute, 989-111 Daedeok-daero, Yuseong-gu, Daejeon 305-353 (Korea, Republic of)

2017-07-15

We present the first experimental results of the deuterium retention and desorption behavior in an advanced reduced-activation alloy (ARAA) under development in Korea. For the in-situ measurement of desorbed gases from samples immediately after irradiation, a thermal desorption spectroscopy (TDS) system clustered with an inductively coupled plasma ion source has been built. Samples were and were not irradiated with helium ions at energies of 1.4, 3.5, and 5.0 keV and then continuously irradiated with 1.7-keV deuterium ions. TDS measurements were performed in situ immediately after deuterium irradiation and after exposure to air for one week. The amount of desorbed deuterium is the largest for the sample without helium irradiation from the TDS results measured in situ immediately after irradiation. Further, the amount of desorbed deuterium is significantly lowered when the helium energy is increased to 3.5 keV with no significant changes thereafter, indicating that the layer formed by implanted helium at near or deeper than the stopping range for 1.7-keV deuterium ions effectively acts as a barrier against deuterium diffusion into the depth. Because of the strong diffusivity of deuterium into the ambient atmosphere, the amounts of desorbed deuterium are greatly reduced for the samples without helium irradiation and with 1.4-keV helium irradiation after exposure to air for one week. In addition, our deuterium results for the ARAA are also compared with the results for F82H by other authors. - Highlights: •The first result of the deuterium retention and desorption in an ARAA is presented. •The ARAA was irradiated with helium and then continuously irradiated with deuterium. •TDS measurements were performed in situ immediately after deuterium irradiation. •TDS measurements were performed after exposure to air for one week. •The effects of helium irradiation and exposure to air were investigated.

Deuterium inventory in tungsten after plasma exposure. A microstructural survey

International Nuclear Information System (INIS)

Manhard, Armin

2012-09-01

Tungsten is a promising material for armouring the plasma-facing wall of future nuclear fusion experiments and power plants. It has a very high melting point, good thermal conductivity and is highly resistant against physical sputtering by energetic particles from the plasma. It also has a very low solubility for hydrogen isotopes. This is important both for safety and also for economic reasons, in particular with regard to the radioactive fusion fuel tritium. Due to this low solubility, the retention of hydrogen isotopes in tungsten materials after exposure to a plasma is dominated by the trapping of hydrogen isotopes at tungsten lattice defects. Therefore, a strong dependence of the hydrogen isotope retention on the microstructure of the tungsten is to be expected. This work describes a survey study of tungsten with different microstructures exposed to deuterium plasmas under a wide range of different plasma exposure conditions. The isotope deuterium was used because its natural abundance is much smaller than that of hydrogen (i.e., 1 H). This allows detecting even very small amounts retained in the tungsten practically without background signal. Furthermore, the use of deuterium allows utilising the nuclear reaction 2 D( 3 He,p) 4 He for depth-resolved quantification of the deuterium inventory up to depths of several microns. In order to standardise the specimens as far as possible, they were all cut from the same initial material from a single manufacturing batch. After a chemo-mechanical polishing procedure, which produces a well-defined surface, the specimens were annealed at either of four different temperatures in order to modify the grain structure and the dislocation density. These were then characterised by scanning electron microscopy and scanning transmission electron microscopy. The specimens were subsequently exposed in a fully characterised deuterium plasma source at different specimen temperatures, ion energies and deuterium fluences. In addition

Rhodopsin-lipid interactions studied by NMR.

Science.gov (United States)

Soubias, Olivier; Gawrisch, Klaus

2013-01-01

The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. Copyright © 2013 Elsevier Inc. All rights reserved.

Deuterium trapping in tungsten deposition layers formed by deuterium plasma sputtering

International Nuclear Information System (INIS)

Alimov, V.Kh.; Roth, J.; Shu, W.M.; Komarov, D.A.; Isobe, K.; Yamanishi, T.

2010-01-01

A study of the influence of the deposition conditions on the surface morphology and deuterium (D) concentration in tungsten (W) deposition layers formed by magnetron sputtering and in the linear plasma generator has been carried out. Thick W layers (≥0.4 μm) deposited onto copper substrates demonstrate areas of pilling and, after post-deposition heating to 1300 K, flaking-off and fracturing. For thin W layers (≤80 nm) deposited onto stainless steel (SS) and W substrates, no areas of flaking-off and fracturing exist both after deposition and after post-deposition heating to 673 K for the SS substrate and to 1300 K for the W substrate. The concentration of deuterium in the W layers was found to decrease with increasing substrate temperature and with increasing tungsten deposition rate. For layers with relatively high concentration of oxygen (0.20-0.60 O/W), a decrease of the D concentration with increasing substrate temperature is more pronounced than that for layers deposited in good vacuum conditions. To describe the evolution of the D/W ratio with the substrate temperature and the tungsten deposition rate, an empirical equation proposed by De Temmerman and Doerner [J. Nucl. Mater. 389 (2009) 479] but with alternative parameters has been used.

Hyperpolarized 129Xe as an NMR probe for functional studies

International Nuclear Information System (INIS)

Wolber, J.

2000-01-01

The nuclear spin polarization of 129 Xe can be enhanced by several orders of magnitude using optical pumping techniques, resulting in a dramatic enhancement of the 129 Xe Nuclear Magnetic Resonance (NMR) signal. The 'hyperpolarized' gas can be used for Magnetic Resonance Imaging (MRI) of the void spaces of the lungs after introduction of the gas into the respiratory system. Furthermore, the high solubility of xenon in blood and lipids suggests the use of 129 Xe NMR for studying blood flow, permeability, perfusion and blood volume. Hyperpolarized 129 Xe MRI has the potential of combining the high sensitivity and functional information of radioactive tracer studies with the high spatial and temporal resolution of MRI. The spin-lattice relaxation time T 1 of 129 Xe in blood determines the loss of polarization during transit from the lungs to the tissue of interest. A difference in the relaxation times of xenon in oxygenated and deoxygenated blood could be used as a contrast mechanism in functional Magnetic Resonance Imaging (fMRI). In this thesis, the hyperpolarized 129 Xe T 1 in human blood is measured in vitro as a function of blood oxygenation, and the relevant relaxation mechanisms are discussed. A new and unexpected finding is that the hyperpolarized 129 Xe NMR spectrum in blood is highly sensitive to blood oxygenation. Therefore, hyperpolarized 129 Xe NMR provides a powerful means of measuring blood oxygenation quantitatively and non-invasively. The interaction of xenon with hemoglobin is responsible for an oxygen-dependent shift of the 129 Xe NMR resonance of xenon in red blood cells. Injection delivery of hyperpolarized 129 Xe in solution could be a more efficient method of administrating the gas for functional NMR studies. For this purpose, suitable biocompatible carrier media have been studied. In particular, the use of perfluorocarbon emulsions, which are already in use as blood substitutes, as delivery media for hyperpolarized 129 Xe has been investigates

Proton NMR studies of functionalized nanoparticles in aqueous environments

Science.gov (United States)

Tataurova, Yulia Nikolaevna

Nanoscience is an emerging field that can provide potential routes towards addressing critical issues such as clean and sustainable energy, environmental remediation and human health. Specifically, porous nanomaterials, such as zeolites and mesoporous silica, are found in a wide range of applications including catalysis, drug delivery, imaging, environmental protection, and sensing. The characterization of the physical and chemical properties of nanocrystalline materials is essential to the realization of these innovative applications. The great advantage of porous nanocrystals is their increased external surface area that can control their biological, chemical and catalytic activities. Specific functional groups synthesized on the surface of nanoparticles are able to absorb heavy metals from the solution or target disease cells, such as cancer cells. In these studies, three main issues related to functionalized nanomaterials will be addressed through the application of nuclear magnetic resonance (NMR) techniques including: 1) surface composition and structure of functionalized nanocrystalline particles; 2) chemical properties of the guest molecules on the surface of nanomaterials, and 3) adsorption and reactivity of surface bound functional groups. Nuclear magnetic resonance (NMR) is one of the major spectroscopic techniques available for the characterization of molecular structure and conformational dynamics with atomic level detail. This thesis deals with the application of 1H solution state NMR to porous nanomaterial in an aqueous environment. Understanding the aqueous phase behavior of functionalized nanomaterials is a key factor in the design and development of safe nanomaterials because their interactions with living systems are always mediated through the aqueous phase. This is often due to a lack of fundamental knowledge in interfacial chemical and physical phenomena that occur on the surface of nanoparticles. The use of solution NMR spectroscopy results

Energy properties of deuterium cluster impacts on TiD targets

International Nuclear Information System (INIS)

Yamamura, Yasunori

1992-01-01

In order to know the energy properties of deuterium atoms in the cluster impact region, the deuterium cluster impact phenomena have been simulated by using the time-evolution Monte Carlo simulation code DYACAT, where the (D) n (n being 100 to 500 ) with energy 500eV/atom are bombarded on TiD targets. For comparison, the energy properties of 500 eV/atom (Al) 500 cluster impacts on amorphous Au targets have also been simulated. In the case of the deuterium cluster impacts on TiD targets, the high energy tail of the energy distribution of deuterium atoms drops so fast. The temperature of the deuterium cluster impact region is less than 100 ev, and it decreases slightly as the cluster size increases due to the enhanced energy removal with reflected deuterium atoms and sputtered deuterium atoms. While in the case of 500 eV/atom (Al) 500 cluster impacts on Au the high-energy tail of the energy distribution of Al atoms due to the big cluster impact can be well described in terms of the Maxwell-Boltzmann function whose temperature is 270 ev. (author)

NMR and optical studies of piezoelectric polymers

International Nuclear Information System (INIS)

Schmidt, V.H.; Tuthill, G.F.

1993-01-01

Progress is reported in several areas dealing with piezoelectric (electroactive) polymers (mostly vinylidene fluoride, trifluoroethylene, copolymers, PVF 2 ) and liquid crystals. Optical studies, neutron scattering, NMR, thermal, theory and modeling were done

Novel NMR tools to study structure and dynamics of biomembranes.

Science.gov (United States)

Gawrisch, Klaus; Eldho, Nadukkudy V; Polozov, Ivan V

2002-06-01

Nuclear magnetic resonance (NMR) studies on biomembranes have benefited greatly from introduction of magic angle spinning (MAS) NMR techniques. Improvements in MAS probe technology, combined with the higher magnetic field strength of modern instruments, enables almost liquid-like resolution of lipid resonances. The cross-relaxation rates measured by nuclear Overhauser enhancement spectroscopy (NOESY) provide new insights into conformation and dynamics of lipids with atomic-scale resolution. The data reflect the tremendous motional disorder in the lipid matrix. Transfer of magnetization by spin diffusion along the proton network of lipids is of secondary relevance, even at a long NOESY mixing time of 300 ms. MAS experiments with re-coupling of anisotropic interactions, like the 13C-(1)H dipolar couplings, benefit from the excellent resolution of 13C shifts that enables assignment of the couplings to specific carbon atoms. The traditional 2H NMR experiments on deuterated lipids have higher sensitivity when conducted on oriented samples at higher magnetic field strength. A very large number of NMR parameters from lipid bilayers is now accessible, providing information about conformation and dynamics for every lipid segment. The NMR methods have the sensitivity and resolution to study lipid-protein interaction, lateral lipid organization, and the location of solvents and drugs in the lipid matrix.

Determining the pk(a) of N,N-dimethylsphingosine and the flip-flop rate of related compounds with deuterium nuclear magnetic resonance

International Nuclear Information System (INIS)

Lau, Bienca

1995-01-01

Deuterium nuclear magnetic resonance ( 2 H-NMR) spectroscopy was applied to determine the pk(a) of the protein kinase C (PKC) inhibitor, N,N-dimethylsphingosine (DMS), when bound to 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayers. The quadrupolar splittings from deuterium labels at the α- and the β-positions of the POPC headgroup responded in a manner indicative of a positive surface charge density at pH 7.0. Conversely, at pH 10.0 DMS had virtually no influence on either quadrupolar splitting, an effect attributed to titration of the dimethylamino group of DMS to its neutral form. A DMS titration curve was obtained by quantifying the charge in the quadrupolar splittings as a function of pH. Simulation of this curve yielded a pk(a) of 8.8 of membrane-bound DMS. Using a similar approach, the dynamic process of flip-flop was examined in two DMS analogues. We discuss here the quantitative and the qualitative aspects as well as the limitations of this application. (author)

Lattice location studies of deuterium in Pdsub(0.8)Ausub(0.2) and Ta crystals by ion channeling

International Nuclear Information System (INIS)

Takahashi, J.; Yamaguchi, S.; Koiwa, M.; Fujino, Y.; Yoshinari, O.; Hirabayashi, M.

1978-01-01

The channelling of 300 to 400 KeV deuterons combined with the D(d,p)T reaction has been used to study the lattice location of deuterium in a fcc crystal of (Pdsub(0.8)Ausub(0.2))Dsub(0.04) and a bcc crystal of TaDsub(0.10). The channelling angular distributions are measured for , , axial and brace 100 brace, brace 110 brace, brace 111 brace planar directions. It is concluded that deuterium in Pdsub(0.8)Ausub(0.2) occupies the octahedral interstice of the fcc lattice, while that in Ta occupies the tetrahedral interstice of the bcc lattice. (author)

Initial deuterium pellet experiments on FTU

International Nuclear Information System (INIS)

Snipes, J.A.

1993-01-01

Initial experiments have been performed with the Single Pellet INjector (SPIN) on FTU. SPIN is a two-stage cryogenic deuterium pellet injector capable of injection,a pellets with velocities up to 2.5 km/s. The nominal pellet mass for these experiments was approximately 1 x 10 20 atoms. These initial pellet experiments concentrated on studying pellet penetration under a variety of plasma conditions to compare with code predictions and to examine toroidal particle transport. The principal diagnostics used were two fast (∼1 μsec) photomultiplier tubes at nearly opposite toroidal locations with H α (D α ) interference filters (λ = 656 nm), a microwave cavity for pellet mass and velocity, a vertical array of soft x ray diodes without filters looking down onto the pellet, a DCN interferometer for electron density profiles, and a Michelson ECE system for electron temperature profiles. The time integral of the absolutely calibrated fast H α signal appears to give reasonable agreement with the expected pellet mass. Toroidal transport of deuterium ions from the pellet to nearly the opposite side of the tokamak agrees with calculated thermal deuterium velocities near the plasma edge. Comparison of the experimental results with code calculations using the Neutral Gas Shielding model show good agreement for the post-pellet electron temperature and density profiles and the H α profiles in some cases. Calculated penetration distances agree within 20%

Fast MAS ¹H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface

Energy Technology Data Exchange (ETDEWEB)

Gill, Lance [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Beste, Ariana [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Joint Institute for Computational Sciences (JIBS); Univ. of Tennessee, Knoxville, TN (United States); Chen, Banghao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Li, Meijun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Mann, Amanda K. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Overbury, Steven H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Hagaman, Edward W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

2017-03-22

¹H nuclear magnetic resonance (NMR) spectroscopy was used to study hydroxylic surface species on ceria nanocubes, a crystalline, high-surface-area CeO₂ that presents mostly (100) facets. Water adsorption and desorption experiments in combination with fast magic angle spinning (MAS, 20–40 kHz) 1H NMR provide high-resolution ¹H spectra that allow the observation of ten resonance bands (water or hydroxyl) on or under the (100) surface. Assignments were made using a combination of adsorption and temperature-programmed desorption, quantitative spin counting, deuterium exchange, spin–lattice (T₁) and spin–spin (T₂) relaxation, and DFT calculations. In air, the (100) surface exists as a fully hydroxylated surface. Water adsorption and dissociation on dry ceria surfaces occur first at oxygen vacancies, but Ce³⁺ centers are not required since water dissociation is barrier-less on the fully oxidized surface. Surface $-$OH functionality occurs in two resolved bands representing isolated $-$OH (1 ppm) and hydrogen-bonded $-$OH (9 ppm), the latter being dominant. Deuterium exchange of surface hydroxyls with D₂O does not occur under mild or forcing conditions. Despite large differences in the T₁ of surface hydroxyls and physisorbed water, surface hydroxyl T₁ values are independent of the presence or absence of physisorbed water, demonstrating that the protons within these two functional group pools are not in intimate contact. These observations show that, once hydroxylated, the surface $-$OH functionality preferentially forms hydrogen bonds with surface lattice oxygen, i.e., the hydroxylated (100) surface of ceria is hydrophobic. Near this surface it is energetically more favorable for physisorbed water to hydrogen bond to itself rather than to the surface. DFT calculations support this notion. Impurity Na⁺ remaining in incompletely washed ceria nanocubes

Results from deuterium-tritium tokamak confinement experiments

International Nuclear Information System (INIS)

Hawryluk, R.J.

1997-02-01

Recent scientific and technical progress in magnetic fusion experiments has resulted in the achievement of plasma parameters (density and temperature) which enabled the production of significant bursts of fusion power from deuterium-tritium fuels and the first studies of the physics of burning plasmas. The key scientific issues in the reacting plasma core are plasma confinement, magnetohydrodynamic (MHD) stability, and the confinement and loss of energetic fusion products from the reacting fuel ions. Progress in the development of regimes of operation which have both good confinement and are MHD stable have enabled a broad study of burning plasma physics issues. A review of the technical and scientific results from the deuterium-tritium experiments on the Joint European Torus (JET) and the Tokamak Fusion Test Reactor (TFTR) is given with particular emphasis on alpha-particle physics issues

Overcoming the solubility limit with solubility-enhancement tags: successful applications in biomolecular NMR studies

International Nuclear Information System (INIS)

Zhou Pei; Wagner, Gerhard

2010-01-01

Although the rapid progress of NMR technology has significantly expanded the range of NMR-trackable systems, preparation of NMR-suitable samples that are highly soluble and stable remains a bottleneck for studies of many biological systems. The application of solubility-enhancement tags (SETs) has been highly effective in overcoming solubility and sample stability issues and has enabled structural studies of important biological systems previously deemed unapproachable by solution NMR techniques. In this review, we provide a brief survey of the development and successful applications of the SET strategy in biomolecular NMR. We also comment on the criteria for choosing optimal SETs, such as for differently charged target proteins, and recent new developments on NMR-invisible SETs.

NMR studies of Na+-anion association effects in polymer electrolytes

International Nuclear Information System (INIS)

Greenbaum, S.G.; Pak, Y.S.; Wintergill, M.C.; Fontanella, J.J.

1988-01-01

23 Na nuclear magnetic resonance (NMR) measurements on poly (propylene oxide) (PPO) and siloxane based polymer electrolytes containing various sodium salts at a single nominal concentration are reported. In addition, differential scanning calorimetry (DSC) and electrical conductivity studies were carried out on the PPO materials. The NMR-determined mobile Na + concentrations and DSC results provide evidence for ionic aggregation effects which, for some samples, result in salt precipitation at elevated temperatures. 23 Na chemical shifts observed in solid state NMR due to mobile Na + -anion interactions influence ionic transport as well as the number of available carriers. (author). 19 refs.; 7 figs

Determination of deuterium concentration by falling drop method

International Nuclear Information System (INIS)

Kawai, Hiroshi; Morishima, Hiroshige; Koga, Taeko; Niwa, Takeo; Fujii, Takashi.

1976-01-01

Falling drop method for determination of deuterium concentration in water sample was studied. The principle is the same as that developed by Kirshenbaum, I. in 1932. One drop of water sample falls down through a column filled with o-fluorotoluene at temperature of nearly 25 0 C. The falling time is, instead of using a stop-watch, measured with two light pulses led to a photomultiplier with mirrors, which make two pulse marks on moving chart paper. Distance between the two pulse marks is proportional to falling time. Instead of water filled double chambers of constant temperature equipped with heaters, thermostats and propellers for stirring, the column is dipped in circulating water supplied from a ''Thermoelectric'' made by ''Sharp'' company, which can circulate constant temperature water cooled or heated with thermoelements. Variation of the temperature is about 0.01 0 C. The range of deuterium concentration in our case was 20 -- 60D%. Sensitivity increased as the medium temperature decreased and as deuterium concentration of water sample increased. (auth.)

Determination of deuterium in metal by vacuum fusion-mass spectrometric method

International Nuclear Information System (INIS)

Wada, Yukio; Akiyama, Shigeo; Ochiai, Ken-ichi; Asakura, Toshiro; Tsutsumi, Ken-ichi

1976-01-01

A specimen of deuterium-enriched Zircaloy was prepared to study a method for the determination of deuterium in metal. The measuring apparatus consists of vacuum fusion section (10 -5 -10 -4 Torr), gas extracting and collecting section, the section of introducing both standard D 2 and HD gases into a gas holder, and mass spectrometric analysis section. The deuterium in Zircaloy can be extracted by 100% for 5 min. at 1600 0 C. The main components of the extracted gas are H 2 , D 2 , HD, CO, H 2 O and N 2 . Deuterium is determined by the calculation from the determinations of D 2 and HD. The amounts of D 2 and HD gases in the specimen were obtained from the calibration curve prepared and the spectrum intensity of D 2 + and HD + resulted from specimen analysis. As a result of the analysis of D 2 -enriched Zircaloy, it has been found that the precision of the determination is within the coefficient variation of about 3% for the extracted D 2 gas amount of 10 -3 -10 -2 ml (STP), including the deuterium segregation in the specimen, and the determination limit was 1 x 10 -5 ml (STP). (Kobatake, H.)

Applications of 1H-NMR relaxometry in experimental liver studies

International Nuclear Information System (INIS)

Holzmueller, P.

1992-01-01

Purpose of this study was to investigate applications of proton nuclear magnetic resonance ( 1 H-NMR) relaxometry in experimental medicine. Relaxometry was performed by measurements of spin-lattice (T 1 ) and spin-spin (T 2 ) relaxation time parameters on liver biopsies up to four hours after biopsy excision. Variations of relaxation times due to species and strain, different sample handling and different liver damage models, ethionine fatty liver and paracetamol liver necrosis, were investigated. Cell integrity effects were studied on homogenized liver samples. Relaxation time parameters, especially 'main' components T 1A and T 2A of biexponential model fit, were identified to react very sensitive after tissue damages as well as to cell viability. Thus, investigation of stored liver grafts was performed in order to evaluate the possibility of a rapid liver graft viability testing method for human liver transplantation surgery by 1 H-NMR relaxometry. Another series of measurements was performed to investigate the applicability of isoflurane anesthesia for in vivo NMR experiments. This study proved the good appropriateness of isoflurane for that purpose provided that physiological monitoring and individual adjustment of anesthesia are performed. In these investigations it could be revealed that mainly T 1A and T 2A are influenced by tissue condition and that different information is inherent in these two parameters, with T 2A reflecting tissue viability and changes of tissue conditions very sensitively but rather unspecifically in respect to the damage applied. Based on these results the following future applications of 1 H-NMR relaxometry are suggested : (1) model investigations, (2) investigation of given pathologies, (3) investigation of basic requirements for in vivo NMR and (4) application in a liver graft viability testing protocol, which seems to be the most important future application of 1 H-NMR relaxometry in medicine. (author)

On-Going Bentonite Pore Water Studies by NMR and SAXS

International Nuclear Information System (INIS)

Carlsson, Torbjoern; Muurinen, Arto; Root, Andrew

2013-01-01

Compacted water-saturated MX-80 bentonite is presently being studied by SAXS and NMR in order to quantify the major pore water phases in the bentonite. The SAXS and NMR measurements gave very similar results indicating that the pore water is mainly distributed between two major phases (interlayer and non-interlayer water) and also indicate how these phases depend on the bentonite dry density. The results from the SAXS and NMR studies at VTT indicate the same thing: - The pore water in water-saturated compacted (?dry = 0.7-1.6 g/cm 3 ) bentonite is divided into two main phases: interlayer water and non-interlayer water. - The amounts of these pore water phases can be determined quantitatively with the above methods. (authors)

Process for the production of high purity deuterium

International Nuclear Information System (INIS)

Arrathoon, R.

1977-01-01

A process for the electrolysis of heavy water which results in the production of high purity deuterium without periodic replenishment of the electrolyte with additional deuterated compounds is defined. Electrolysis is effected through the use of an inexpensive cation-action permselective membrane which is essentially a solid polymer electrolyte and which is capable of automatically separating the evolved deuterium and oxygen gas. This cation-active permselective membrane does not introduce any intrinsic impurities or tritium contamination in the generated deuterium gas, does not require periodic revitalization with deuterated compounds or other chemical compounds, and is characterized by an unusually high electrical efficiency

Multinuclear MAS NMR studies on coked zeolites H-ZSM-5

International Nuclear Information System (INIS)

Ernst, H.; Freude, D.; Hunger, M.; Pfeifer, H.

1991-01-01

During the cracking process carbonaceous materials are deposited on the outer or inner surface of the catalyst. These deposits are in many cases the main cause of catalyst deactivation. Magic angle spinning (MAS) NMR investigations and catalytic n-hexane cracking were carried out on H-ZSM-5 zeolites after a mild hydrothermal de-alumination. By 13 C CP MAS NMR it could be shown that the enhanced catalytic activity does not enhance the coke formation and that the chemical nature of these deposits is essentially aromatic. From 1 H MAS NMR studies performed on shallow-bed activated sealed samples and 27 Al and 29 Si MAS NMR on rehydrated samples it follows that for high coke concentrations the catalyst deactivation is caused mainly by blocking of Broensted acid sites. (author). 27 refs.; 3 figs.; 2 tabs

Thermodynamic and electrical properties of laser-shocked liquid deuterium

Science.gov (United States)

He, Zhiyu; Jia, Guo; Zhang, Fan; Luo, Kui; Huang, Xiuguang; Shu, Hua; Fang, Zhiheng; Ye, Junjian; Xie, Zhiyong; Xia, Miao; Fu, Sizu

2018-01-01

Liquid deuterium at high pressure and temperature has been observed to undergo significant electronic structural changes. Reflectivity and temperature measurements of liquid deuterium up to around 70 GPa were obtained using a quartz standard. The observed specific heat of liquid deuterium approaches the Dulong-Petit limit above 1 eV. Discussions on specific heat indicate a molecular dissociation below 1 eV and fully dissociated above 1.5 eV. Also, the electrical conductivity of deuterium estimated from reflectivity reaches 1.3 × 105 (Ωṡm)-1, proving that deuterium in this condition is a conducting degenerate liquid metal and undergo an insulator-metal transition. The results from specific heat, carrier density and conductivity agreed well with each other, which might be a reinforcement of the insulator-metal transition and the molecular dissociation. In addition, a new correction method of reflectivity in temperature calculation was proposed to improve the accuracy of temperature results. A new "dynamic calibration" was introduced in this work to make the experiments simpler and more accurate.

Deuterium in New Zealand rivers and streams

International Nuclear Information System (INIS)

Stewart, M.K.; Cox, M.A.; James, M.R.; Lyon, G.

1983-07-01

Over 750 deuterium measurements on rivers and streams in New Zealand are reported. Monthly samples were collected for periods of several years from a number of representative rivers. These show irregular storm-to-storm as well as seasonal deuterium variations. The seasonal variations range from as low as 1 per mille for lake-fed rivers to 8-10 per mille for rivers with large spring snow-melt contributions. Variations in mean annual ΔD values are believed to reflect changes in climatic variables; the present data will be used to compare with future changes. The bulk of the data are single samples; these show a geographic variation related to the altitude, latitude and climatic character of the catchments, with the highest deuterium contents (ΔD = -20 per mille) occurring in the far north, and lowest contents (-80 per mille) in the inland Otago region. Regression equations derived for the ΔD dependence on altitude (h) and latitude (l), are ΔD = -0.0169 h - 30.2 and westerly influence. Eastern climatic zones have lower deuterium contents because of rainout effects on the axial ranges. Contours of constant

Deuterium gas-driven permeation and subsequent retention in rolled tungsten foils

International Nuclear Information System (INIS)

Liu, Feng; Zhou, Haishan; Li, Xiao-Chun; Xu, Yuping; An, Zhongqing; Mao, Hongmin; Xing, Wenjing; Hou, Qing; Luo, Guang-Nan

2014-01-01

Experiments concerning deuterium gas-driven permeation through rolled tungsten foils in the temperature range of 850–950 K and subsequent deuterium retention have been performed. The steady state permeation flux of deuterium is proportional to the square root of the driving pressure. The permeability of deuterium is in an order of 10 −14 mol m −1 s −1 Pa −1/2 in this temperature range and the activation energy for permeation is 1.21 eV. Measurements of diffusivity are significantly affected by the driving pressure, which can be well explained by a saturable-trap model. Thermal desorption spectra of samples feature a single deuterium release peak at about 873 K. TMAP 4 modeling of this peak gives a detrapping energy of 1.70 eV, which fits the dissociation enthalpy of deuterium desorbing from the inner wall of vacancy clusters or pores in tungsten

Deuterium gas-driven permeation and subsequent retention in rolled tungsten foils

Science.gov (United States)

Liu, Feng; Zhou, Haishan; Li, Xiao-Chun; Xu, Yuping; An, Zhongqing; Mao, Hongmin; Xing, Wenjing; Hou, Qing; Luo, Guang-Nan

2014-12-01

Experiments concerning deuterium gas-driven permeation through rolled tungsten foils in the temperature range of 850-950 K and subsequent deuterium retention have been performed. The steady state permeation flux of deuterium is proportional to the square root of the driving pressure. The permeability of deuterium is in an order of 10-14 mol m-1 s-1 Pa-1/2 in this temperature range and the activation energy for permeation is 1.21 eV. Measurements of diffusivity are significantly affected by the driving pressure, which can be well explained by a saturable-trap model. Thermal desorption spectra of samples feature a single deuterium release peak at about 873 K. TMAP 4 modeling of this peak gives a detrapping energy of 1.70 eV, which fits the dissociation enthalpy of deuterium desorbing from the inner wall of vacancy clusters or pores in tungsten.

Numerical studies of deuterium-tritium ignition in impact-fusion targets

International Nuclear Information System (INIS)

Zubrin, R.M.; Ribe, F.L.

1989-01-01

A numerical one-dimensional solution of the Euler equations for an imploding spherical tungsten shell with internal deuterium-tritium gas is applied to study impact-fusion dynamics with parameters of fusion reactor relevance. Thermal conduction and radiative energy loss by the plasma are taken into account, as is heating by fusion generated alpha particles. A variety of target sizes and impact velocities are examined, and scaling laws for fusion yields are deduced which define possible parameters for conceptual commercial impact-fusion power reactors. It is found that shell energies and velocities of about 30 MJ and 110 km/s would be satisfactory. A commercial impact-fusion reactor based on such parameters is discussed

Tritium and deuterium as water tracers in hydrologic systems. Completion report

International Nuclear Information System (INIS)

Stewart, G.L.; Stetson, J.R.

1975-05-01

A study was conducted to evaluate the suitability of deuterium and tritium as tracers to depict water and pollutant movement in porous media. This involved studying the interaction of these tracers with soil materials and evaluating this interaction in terms of retardation in tracer flow velocity, compared to bulk water flow. Previous work had suggested that tritium and deuterium interact with soils and are removed from tracer solution during flow. The data presented clearly show that a tracing front becomes diluted in tracer during infiltration into oven-dried soil. There appears to be very little difference between the degree of tritium and deuterium interaction. The source of interaction is demonstrated to be primarily hydroxyl associated with the clay minerals. These exchange sites are destroyed by heating soil to 70C which eliminates tracer loss during infiltration

Use of 60 ppm deuterium depleted water in companionship animals

International Nuclear Information System (INIS)

Balint, Emilia; Manolescu, N.; Cranganu, D.; Militaru, Manuela; Pop, Aneta; Codreanu, M.; Panait, Marieta; Lastofka, D.

2004-01-01

There are presented the results of studies on the effects of deuterium depleted water in companionship animals. Based on these results, a new product was realized, 'Aqua Forte' that is a deuterium depleted potable water (60 ppm deuterium) with beneficial effects in animal's health maintaining. Aqua forte has prophylactic properties (in preventing diseases related to immune system) and therapeutic properties, as adjuvant in various therapeutic programs. The mechanism of action takes place at the cellular metabolism level by replacing the constitutional and free water of 150 ppm deuterium, this resulting in the stimulation of the immune cellular system and also of resistance at the onset of some pathological states. The non-specific stimulation implies performing both the humoral mediated immune reactions and of those cellularly mediated. Aqua forte is recommended in: - the feeding of the young weaned animals, the action being of growth stimulation, and increasing of the resistance against some diseases specific to the age; - as an adjuvant in some chronic diseases (hepatitis, pancreatitis, dermatological diseases, osteoarthropaties, hepato-renal syndrome, renal insufficiency, after surgical interventions, in antitumoral therapy); - in the feeding of the old animals for the quality of life improvement. (authors)

Hydrogen-deuterium exchange studies of the rat thyroid transcription factor 1 homeodomain

International Nuclear Information System (INIS)

Esposito, Gennaro; Fogolari, Federico; Damante, Giuseppe; Formisano, Silvestro; Tell, Gianluca; Leonardi, Antonio; Di Lauro, Roberto; Viglino, Paolo

1997-01-01

The 1 H NMR solution structure of the rat thyroid transcription factor 1 homeodomain (TTF-1 HD) showed that the molecule folds like classical homeodomains. The C-terminal extension of helix III (fragment 51-59) appeared to adopt a helical geometry, albeit not as rigid as the preceding portion, but the hydrogen-deuterium exchange of backboneamides and the NOE data provided evidence of a discontinuity between the two moieties of helix III at the highly conserved fragmentAsn 51 -His 52 -Arg 53 .Analysis of quantitative measurements of isotope exchange rates allows one to recognize the general occurrence, in that region of HD motifs, of opposite effects to helix III stability. Asparagine, histidine and arginine residues occur most frequently at the beginning and end of protein helices.In TTF-1 HD a local fluctuation is observed in the fragment 51-53 which either kinks or tightens the α-helix. A search through the protein structure database reveals that the three most common variants of HD fragments 51-53 are often involved in helices and, frequently, in helix initiation or termination. For homeodomains in general, the nature of the fragment 51-53 may be related to the conformational dynamics of their DNA-recognition helix (helix III). Besides the specific results on fragment 51-53, the complete isotope exchange analysis of TTF-1 HD data shows that the partially solvent-exposed recognition helix is stabilized by hydrophobic interactions, like most of the structured regions of the molecule. Hydrophobic stabilization of the contacting regions meets the requirements of a DNA-interaction mechanism which, as shown with other DNA-protein complexes, should entail negative heat capacity variations due to changes in solvent exposure of the nonpolar protein surface

Deuterium exchange between liquid water and gaseous hydrogen

International Nuclear Information System (INIS)

Dave, S.M.; Ghosh, S.K.; Sadhukhan, H.K.

1982-01-01

The overall separation factors for the deuterium exchange between liquid water and gaseous hydrogen have been calculated over a wide range of temperature, pressure and deuterium concentrations. These data would be useful in the design and other considerations for heavy water production, based on hydrogen-water exchange. (author)

Preliminary study of kaonic deuterium X-rays by the SIDDHARTA experiment at DAΦNE

Energy Technology Data Exchange (ETDEWEB)

Bazzi, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Beer, G. [Department of Physics and Astronomy, University of Victoria, P.O. Box 3055, Victoria BC V8W3P6 (Canada); Berucci, C. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Bombelli, L. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Bragadireanu, A.M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); IFIN-HH, Institutul National pentru Fizica si Inginerie Nucleara Horia Hulubei, Reactorului 30, Magurele (Romania); Cargnelli, M., E-mail: michael.cargnelli@oaaw.ac.at [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Curceanu, C.; D' Uffizi, A. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Fiorini, C.; Frizzi, T. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Ghio, F. [INFN Sezione di Roma I and Instituto Superiore di Sanita, I-00161 Roma (Italy); Guaraldo, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Hayano, R. [University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo (Japan); Iliescu, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Ishiwatari, T. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Iwasaki, M. [RIKEN, Institute of Physical and Chemical Research, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); and others

2013-06-03

The study of the K{sup ¯}N system at very low energies plays a key role for the understanding of the strong interaction between hadrons in the strangeness sector. At the DAΦNE electron–positron collider of Laboratori Nazionali di Frascati we studied kaonic atoms with Z=1 and Z=2, taking advantage of the low-energy charged kaons from Φ-mesons decaying nearly at rest. The SIDDHARTA experiment used X-ray spectroscopy of the kaonic atoms to determine the transition yields and the strong interaction induced shift and width of the lowest experimentally accessible level (1s for H and D and 2p for He). Shift and width are connected to the real and imaginary part of the scattering length. To disentangle the isospin dependent scattering lengths of the antikaon–nucleon interaction, measurements of K{sup −}p and of K{sup −}d are needed. We report here on an exploratory deuterium measurement, from which a limit for the yield of the K-series transitions was derived: Y(K{sub tot})<0.0143 and Y(K{sub α})<0.0039 (CL 90%). Also, the upcoming SIDDHARTA-2 kaonic deuterium experiment is introduced.

Pneumatic injector of deuterium macroparticles for TORE-SUPRA tokamak

International Nuclear Information System (INIS)

Vinyar, I.V.; Umov, A.P.; Lukin, A.Ya.; Skoblikov, S.V.; Reznichenko, P.V.; Krasil'nikov, I.A.

2006-01-01

The pneumatic injector for periodic injection of fuel-solid-deuterium pellets into the plasma of the TORE-SUPRA tokamak in a steady-state mode is described. The deuterium pellet injection with an unlimited duration is ensured by a screw extruder in which gaseous deuterium is frozen and squeezed outwards in the form of a rod with a rectangular cross section. A cutter installed on the injector's barrel cuts a cylinder with a diameter of 2 mm and a length of 1.0-3.5 mm out from this rod. The movement of the cutter is controlled by a pulsed electromagnetic drive at a pulse repetition rate of 10 Hz. In the injector's barrel, a compressed gas accelerates a deuterium pellet to a velocity of 100-650 m/s [ru

Quantitative determination and validation of octreotide acetate using 1 H-NMR spectroscopy with internal standard method.

Science.gov (United States)

Yu, Chen; Zhang, Qian; Xu, Peng-Yao; Bai, Yin; Shen, Wen-Bin; Di, Bin; Su, Meng-Xiang

2018-01-01

Quantitative nuclear magnetic resonance (qNMR) is a well-established technique in quantitative analysis. We presented a validated 1 H-qNMR method for assay of octreotide acetate, a kind of cyclic octopeptide. Deuterium oxide was used to remove the undesired exchangeable peaks, which was referred to as proton exchange, in order to make the quantitative signals isolated in the crowded spectrum of the peptide and ensure precise quantitative analysis. Gemcitabine hydrochloride was chosen as the suitable internal standard. Experimental conditions, including relaxation delay time, the numbers of scans, and pulse angle, were optimized first. Then method validation was carried out in terms of selectivity, stability, linearity, precision, and robustness. The assay result was compared with that by means of high performance liquid chromatography, which is provided by Chinese Pharmacopoeia. The statistical F test, Student's t test, and nonparametric test at 95% confidence level indicate that there was no significant difference between these two methods. qNMR is a simple and accurate quantitative tool with no need for specific corresponding reference standards. It has the potential of the quantitative analysis of other peptide drugs and standardization of the corresponding reference standards. Copyright © 2017 John Wiley & Sons, Ltd.

Synthesis of deuterium-labelled viloxazine. [Antidepressant

Energy Technology Data Exchange (ETDEWEB)

Mamada, Kumiko; Furuta, Takashi; Kasuya, Yasuji

1988-06-01

The synthesis of deuterium-labelled viloxazine with high isotopic purity is described. The synthetic procedures employ alkylation of 2-(benzyloxy)phenol with (/sup 2/H/sub 5/)ethyl iodide for the introduction of deuterium. Catalytic removal of the benzyl group of the deuterated product followed by reaction with epichlorohydrin afforded 1,2-epoxy-3-(2'-pentadeuteroethoxy-phenoxy)propane. Addition of 2-aminoethyl hydrogen sulphate to the epoxide and subsequent ring formation into a morpholine derivative produced the desired (/sup 2/H/sub 5/)viloxazine.

Deuterium gas-driven permeation and subsequent retention in rolled tungsten foils

Energy Technology Data Exchange (ETDEWEB)

Liu, Feng [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zhou, Haishan [Department of Fusion Science, The Graduate University for Advanced Studies, Toki 509-5292 (Japan); Li, Xiao-Chun [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Xu, Yuping; An, Zhongqing [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026 (China); Mao, Hongmin; Xing, Wenjing [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Hou, Qing [Key Laboratory for Radiation Physics and Technology, Sichuan University, Chengdu 610061 (China); Luo, Guang-Nan, E-mail: gnluo@ipp.ac.cn [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026 (China)

2014-12-15

Experiments concerning deuterium gas-driven permeation through rolled tungsten foils in the temperature range of 850–950 K and subsequent deuterium retention have been performed. The steady state permeation flux of deuterium is proportional to the square root of the driving pressure. The permeability of deuterium is in an order of 10{sup −14} mol m{sup −1} s{sup −1} Pa{sup −1/2} in this temperature range and the activation energy for permeation is 1.21 eV. Measurements of diffusivity are significantly affected by the driving pressure, which can be well explained by a saturable-trap model. Thermal desorption spectra of samples feature a single deuterium release peak at about 873 K. TMAP 4 modeling of this peak gives a detrapping energy of 1.70 eV, which fits the dissociation enthalpy of deuterium desorbing from the inner wall of vacancy clusters or pores in tungsten.

Burn performance of deuterium-tritium, deuterium-deuterium, and catalyzed deuterium ICF targets

International Nuclear Information System (INIS)

Harris, D.B.; Blue, T.E.

1983-01-01

The University of Illinois hydrodynamic burn code, AFBURN, has been used to model the performance of homogeneous D-T, D 2 , and catalyzed deuterium ICF targets. Yields and gains are compared for power-producing targets. AFBURN is a one-dimensional, two-temperature, single-fluid hydrodynamic code with non-local fusion product energy deposition. The initial conditions for AFBURN are uniformly compressed targets with central hot spots. AFBURN predicts that maximum D 2 target gains are obtained for target rhoR and spark rhoR about seven times larger than the target and spark rhoR for maximum D-T target gains, that the maximum D 2 target gain is approximately one third of the maximum D-T target gain, and that the corresponding yields are approximately equal. By recycling tritium and 3 He from previous targets, D 2 target performance can be improved by about 10%. (author)

NMR studies of multiphase flows II

Energy Technology Data Exchange (ETDEWEB)

Altobelli, S.A.; Caprihan, A.; Fukushima, E. [Lovelace Institutes, Albuquerque, NM (United States)] [and others

1995-12-31

NMR techniques for measurements of spatial distribution of material phase, velocity and velocity fluctuation are being developed and refined. Versions of these techniques which provide time average liquid fraction and fluid phase velocity have been applied to several concentrated suspension systems which will not be discussed extensively here. Technical developments required to further extend the use of NMR to the multi-phase flow arena and to provide measurements of previously unobtainable parameters are the focus of this report.

NMR spectroscopy applied to the eye: Drugs and metabolic studies

Energy Technology Data Exchange (ETDEWEB)

Saether, Oddbjoern

2005-07-01

NMR spectroscopy has been extensively applied in biomedical research during the last decades. It has proved to be an analytical tool of great value. From being mainly used in chemistry, technological developments have expanded the application of NMR spectroscopy to a great wealth of disciplines. With this method, biochemical information can be obtained by analysing tissue extracts. Moreover, NMR spectroscopy is increasingly employed for pharmacokinetic studies and analysis of biofluids. Technological progress has provided increased sensitivity and resolution in the spectra, which enable even more of the complexity of biological samples to be elucidated. With the implementation of high-resolution magic angle spinning (HR-MAS) NMR spectroscopy in biomedicine, intact tissue samples or biopsies can be investigated. Thus, NMR spectroscopy has an ever-increasing impact in metabolic screening of human samples and in animal models, and methods are also increasingly realised in vivo. The present work, NMR spectroscopy applied to eye research, consists of two main parts. Firstly, the feasibility to monitor fluorinated ophthalmic drugs directly in the eye was assessed. Secondly, HR-MAS H1 NMR spectroscopy was applied for metabolic profiling of the anterior eye segment, specifically to analyse metabolic changes in intact corneal and lenticular samples after cataractogenic insults. This work included metabonomics with the application of pattern recognition methods to analyse HR-MAS spectra of eye tissues. Optimisation strategies were explored for F19 NMR detection of fluorinated drugs in a phantom eye. S/N gains in F19 NMR spectroscopy were achieved by implementing time-share H1 decoupling at 2.35 T. The method is advantageous for compounds displaying broad spectral coupling patterns, though detection of drugs at concentrations encountered in the anterior eye segment after topical application was not feasible. Higher magnetic fields and technological improvements could enable

NMR spectroscopy applied to the eye: Drugs and metabolic studies

International Nuclear Information System (INIS)

Saether, Oddbjoern

2005-01-01

NMR spectroscopy has been extensively applied in biomedical research during the last decades. It has proved to be an analytical tool of great value. From being mainly used in chemistry, technological developments have expanded the application of NMR spectroscopy to a great wealth of disciplines. With this method, biochemical information can be obtained by analysing tissue extracts. Moreover, NMR spectroscopy is increasingly employed for pharmacokinetic studies and analysis of biofluids. Technological progress has provided increased sensitivity and resolution in the spectra, which enable even more of the complexity of biological samples to be elucidated. With the implementation of high-resolution magic angle spinning (HR-MAS) NMR spectroscopy in biomedicine, intact tissue samples or biopsies can be investigated. Thus, NMR spectroscopy has an ever-increasing impact in metabolic screening of human samples and in animal models, and methods are also increasingly realised in vivo. The present work, NMR spectroscopy applied to eye research, consists of two main parts. Firstly, the feasibility to monitor fluorinated ophthalmic drugs directly in the eye was assessed. Secondly, HR-MAS H1 NMR spectroscopy was applied for metabolic profiling of the anterior eye segment, specifically to analyse metabolic changes in intact corneal and lenticular samples after cataractogenic insults. This work included metabonomics with the application of pattern recognition methods to analyse HR-MAS spectra of eye tissues. Optimisation strategies were explored for F19 NMR detection of fluorinated drugs in a phantom eye. S/N gains in F19 NMR spectroscopy were achieved by implementing time-share H1 decoupling at 2.35 T. The method is advantageous for compounds displaying broad spectral coupling patterns, though detection of drugs at concentrations encountered in the anterior eye segment after topical application was not feasible. Higher magnetic fields and technological improvements could enable

NMR structural studies of peptides and proteins in membranes

Energy Technology Data Exchange (ETDEWEB)

Opella, S J [Pennsylvania Univ., Philadelphia, PA (United States). Dept. of Chemistry

1994-12-31

The use of NMR methodology in structural studies is described as applicable to larger proteins, considering that the majority of membrane proteins is constructed from a limited repertoire of structural and dynamic elements. The membrane associated domains of these proteins are made up of long hydrophobic membrane spanning helices, shorter amphipathic bridging helices in the plane of the bilayer, connecting loops with varying degrees of mobility, and mobile N- and C- terminal sections. NMR studies have been successful in identifying all of these elements and their orientations relative to each other and the membrane bilayer 19 refs., 9 figs.

NMR studies of phase behaviour in polyacrylonitrile solutions

International Nuclear Information System (INIS)

Golightly, J.A.

1998-10-01

The aim of the thesis was to study the phase behaviour of aqueous polyacrylonitrile/NaSCN solutions using a variety of nuclear magnetic resonance techniques. Polyacrylonitrile (PAN) is the basis of the acrylic fibre industry, as such fibres contain at least 85% PAN. Despite this industrial importance, the available literature describing the phase behaviour of PAN in solution is far from comprehensive. Bulk 1 H NMR relaxation measurements were carried out over a wide range of concentrations and temperatures to probe the molecular dynamics of the PAN and water molecules. The relaxation data was found to be biexponential decay for all samples, the relative amplitudes of which were shown to be equal to the ratio of PAN protons to water protons. Both species were found to be in the regime of rapid molecular motion. Bulk 1 H NMR self diffusion measurements, using the PFGSTE technique, exhibited a bi-exponential decay of the echo amplitudes. By careful selection of the observation time, Δ, it was possible to independently probe the water and PAN translational diffusion. A background gradient, resulting from inhomogeneities of the magnetic field, complicated the analysis of the data and a novel polynomial least squares fitting procedure was devised to overcome this effect. The measured attenuation of the water diffusion coefficients (D∼10 -6 -10 -5 cm 2 s -1 ) with increasing PAN volume fraction was modelled according to various theories, including free volume and scaling laws. The study of the PAN diffusion coefficient (D∼10 -7 -10 -6 cm 2 s -1 ) was limited by the experimental constraints of the NMR spectrometer. A 1 H NMR one-dimensional imaging technique was used to study the non-solvent induced phase separation (coagulation) of a PAN solution. The time dependence of the measured profiles allowed observation of the coagulation process. A diffusion model was developed to fit the experimental data using a semi-infinite diffusion framework. The fitting parameters

Body composition of lactating and dry Holstein cows estimated by deuterium dilution

International Nuclear Information System (INIS)

Martin, R.A.; Ehle, F.R.

1986-01-01

In three experiments patterns of water turnover and body composition estimated by deuterium oxide were studied in Holstein cows. In the first experiment, four lactating cows were infused with deuterium oxide, and blood samples were taken during 4-d collection. Milking was stopped; cows were reinfused with deuterium oxide and resampled. Slopes of deuterium oxide dilution curves indicated lactating cows turned water over more rapidly than nonlactating cows. In the second experiment with the same four cows, during 4-d collection, deuterium oxide concentrations in milk, urine, and feces showed dilution patterns similar to deuterium oxide in blood. Sampling milk may be an alternative to sampling blood. In the third experiment, 36 Holstein cows were fed 55, 65, or 75% alfalfa, smooth bromegrass, or equal parts of each forage as total mixed rations; remaining portions of rations were a grain mixture. Body composition was estimated at -1, 1, 2, 3, 4, and 5 mo postpartum. Empty body water, protein, mineral, fat, and fat percentage decreased from prepartum to postpartum. First calf heifers contained less empty body water, protein, and mineral than older cows. Cows fed diets with 55% forage had more body fat than those fed diets with 75% forage. Cows fed alfalfa-based diets had more gastrointestinal fill regardless of grain than cows fed diets that contained alfalfa and smooth bromegrass. Gastrointestinal fill of cows increased from prepartum to 5 mo postpartum

Experimental Determination of the Possible Deuterium - Deuterium Fusion Reaction Originated in a Single Cavitation Bubble Luminescence System Using CDCL3 and D2 O

International Nuclear Information System (INIS)

Barbaglia, Mario; Florido, Pablo; Mayer, Roberto; Bonetto, Fabian

2003-01-01

We focus this work on the measurement of the possible Deuterium - Deuterium reaction in a SCBL (Single Cavitation Bubble Luminescence) system.We measure the possible reaction at the bubble generation time and at the bubble collapse time. We use a Nd:YAG laser and CDCl 3 and D 2 O as a medium to generate the bubble. Since CDCl 3 accommodation coefficient is best than that of D 2 O, it is expected a greater collapse force than using D 2 O.To benefit the bubble collapse violence, we diminish the temperature of the liquids.To avoid false neutron detection, we developed a measuring system with high background reject using the characteristic experiment times.No neutrons attributable to Deuterium - Deuterium fusion reaction were measured

Origin of excess heat generated during loading Pd-impregnated alumina powder with deuterium and hydrogen

International Nuclear Information System (INIS)

Dmitriyeva, O.; Cantwell, R.; McConnell, M.; Moddel, G.

2012-01-01

Highlights: ► We studied heat produced by hydrogen and deuterium in Pd-impregnated alumina powder. ► Samples were fabricated using light and heavy water isotopes and varied the gas used for loading. ► Incorporation of hydrogen and deuterium influenced the amount of heat released or consumed. ► Pd nanoparticles appear to catalyze hydrogen/deuterium (H/D) exchange chemical reactions. ► Anomalous heating can be accounted for by chemical rather than nuclear reactions. - Abstract: We studied heat production in Pd-impregnated alumina powder in the presence of hydrogen and deuterium gases, investigating claims of anomalous heat generated as a result of nuclear fusion, usually referred to as a low energy nuclear reaction (LENR). By selecting the water isotope used to fabricate the material and then varying the gas used for loading, we were able to influence the amount of heat released or consumed. We suggest that Pd in its nanoparticle form catalyzes hydrogen/deuterium (H/D) exchange reactions in the material. This hypothesis is supported by heat measurements, residual gas analysis (RGA) data, and calculations of energy available from H/D exchange reactions. Based on the results we conclude that the origin of the anomalous heat generated during deuterium loading of Pd-enriched alumina powder is chemical rather than nuclear.

nmr spectroscopic study and dft calculations of giao nmr shieldings

African Journals Online (AJOL)

Preferred Customer

3Department of Physics, Arts and Science Faculty, Dumlupinar University, Kütahya, ... 1H, 13C NMR chemical shifts and 1JCH coupling constants of .... then estimated using the corresponding TMS shieldings calculated in advance at the same.

Design of a tensor polarized deuterium target polarized by spin-exchange with optically pumped NA

International Nuclear Information System (INIS)

Green, M.C.

1984-01-01

A proposed design for a tensor polarized deuterium target (approx. 10 15 atoms/cm 2 ) for nuclear physics studies in an electron storage ring accelerator is presented. The deuterium atoms undergo electron spin exchange with a highly polarized sodium vapor; this polarization is transferred to the deuterium nuclei via the hyperfine interaction. The deuterium nuclei obtain their tensor polarization through repeated electron spin exchange/hyperfine interactions. The sodium vapor polarization is maintained by standard optical pumping techniques. Model calculations are presented in detail leading to a discussion of the expected performance and the technical obstacles to be surmounted in the development of such a target

Design of a tensor polarized deuterium target polarized by spin-exchange with optically pumped NA

International Nuclear Information System (INIS)

Green, M.C.

1984-05-01

A proposed design for a tensor polarized deuterium target (approx. 10 15 atoms/cm 2 ) for nuclear physics studies in an electron storage ring accelerator is presented. The deuterium atoms undergo electron spin exchange with a highly polarized sodium vapor; this polarization is transferred to the deuterium nuclei via the hyperfine interaction. The deuterium nuclei obtain their tensor polarization through repeated electron spin exchange/hyperfine interactions. The sodium vapor polarization is maintained by standard optical pumping techniques. Model calculations are presented in detail leading to a discussion of the expected performance and the technical obstacles to be surmounted in the development of such a target. 15 references, 10 figures

Laser driven source of spin polarized atomic deuterium and hydrogen

International Nuclear Information System (INIS)

Poelker, M.; Coulter, K.P.; Holt, R.J.

1993-01-01

Optical pumping of potassium atoms in the presence of a high magnetic field followed by spin exchange collisions with deuterium (hydrogen) is shown to yield a high flux of spin polarized atomic deuterium (hydrogen). The performance of the laser driven source has been characterized as a function of deuterium (hydrogen) flow rate, potassium density, pump laser power, and magnetic field. Under appropriate conditions, the authors have observed deuterium atomic polarization as high as 75% at a flow rate 4.2x10 17 atoms/second. Preliminary results suggest that high nuclear polarizations are obtained in the absence of weak field rf transitions as a result of a spin temperature distribution that evolves through frequent H-H (D-D) collisions

Laser-driven polarized hydrogen and deuterium internal targets

International Nuclear Information System (INIS)

Jones, C.E.; Fedchak, J.A.; Kowalczyk, R.S.

1995-01-01

After completing comprehensive tests of the performance of the source with both hydrogen and deuterium gas, we began tests of a realistic polarized deuterium internal target. These tests involve characterizing the atomic polarization and dissociation fraction of atoms in a storage cell as a function of flow and magnetic field, and making direct measurements of the average nuclear tensor polarization of deuterium atoms in the storage cell. Transfer of polarization from the atomic electron to the nucleus as a result of D-D spin-exchange collisions was observed in deuterium, verifying calculations suggesting that high vector polarization in both hydrogen and deuterium can be obtained in a gas in spin temperature equilibrium without inducing RF transitions between the magnetic substates. In order to improve the durability of the system, the source glassware was redesigned to simplify construction and installation and eliminate stress points that led to frequent breakage. Improvements made to the nuclear polarimeter, which used the low energy 3 H(d,n) 4 He reaction to analyze the tensor polarization of the deuterium, included installing acceleration lenses constructed of wire mesh to improve pumping conductance, construction of a new holding field coil, and elimination of the Wien filter from the setup. These changes substantially simplified operation of the polarimeter and should have reduced depolarization in collisions with the wall. However, when a number of tests failed to show an improvement of the nuclear polarization, it was discovered that extended operation of the system with a section of teflon as a getter for potassium caused the dissociation fraction to decline with time under realistic operating conditions, suggesting that teflon may not be a suitable material to eliminate potassium from the target. We are replacing the teflon surfaces with drifilm-coated ones and plan to continue tests of the polarized internal target in this configuration

Experimental studies of equation of gases state for hydrogen and deuterium

International Nuclear Information System (INIS)

Jiang Guoqiang; Lu Guangda

1992-11-01

The low order Virial coefficient and compression factors of hydrogen, deuterium and the mixtures of both materials were experimentally determined by using Burnett method at the normal temperature and the pressure of 0.5 to 40 MPa. Comparing the results obtained with the data in references, the relative error of compression factor is less than 0.2%

Solid-state NMR studies of form I of atorvastatin calcium.

Science.gov (United States)

Wang, Wei David; Gao, Xudong; Strohmeier, Mark; Wang, Wei; Bai, Shi; Dybowski, Cecil

2012-03-22

Solid-state (13)C, (19)F, and (15)N magic angle spinning NMR studies of Form I of atorvastatin calcium are reported, including chemical shift tensors of all resolvable carbon sites and fluorine sites. The complete (13)C and (19)F chemical shift assignments are given based on an extensive analysis of (13)C-(1)H HETCOR and (13)C-(19)F HETCOR results. The solid-state NMR data indicate that the asymmetric unit of this material contains two atorvastatin molecules. A possible structure of Form I of atorvastatin calcium (ATC-I), derived from solid-state NMR data and density functional theory calculations of various structures, is proposed for this important active pharmaceutical ingredient (API).

27Al NMR studies of NpPd5Al2

International Nuclear Information System (INIS)

Chudo, H.; Sakai, H.; Tokunaga, Y.; Kambe, S.; Aoki, D.; Homma, Y.; Shiokawa, Y.; Haga, Y.; Ikeda, S.; Matsuda, T.D.; Onuki, Y.; Yasuoka, H.

2009-01-01

We present 27 Al NMR studies for a single crystal of the Np-based superconductor NpPd 5 Al 2 (T c =4.9K). We have observed a five-line 27 Al NMR spectrum with a center line and four satellite lines separated by first-order nuclear quadrupole splittings. The Knight shift clearly drops below T c . The temperature dependence of the 27 Al nuclear spin-lattice relaxation rate shows no coherence peak below T c , indicating that NpPd 5 Al 2 is an unconventional superconductor with an anisotropic gap. The analysis of the present NMR data provides evidence for strong-coupling d-wave superconductivity in NpPd 5 Al 2 .

Trapping behaviour of deuterium ions implanted into tungsten simultaneously with carbon ions

International Nuclear Information System (INIS)

Kobayashi, Makoto; Suzuki, Sachiko; Wang, Wanjing; Kurata, Rie; Kida, Katsuya; Oya, Yasuhisa; Okuno, Kenji; Ashikawa, Naoko; Sagara, Akio; Yoshida, Naoaki

2009-01-01

The trapping behaviour of deuterium ions implanted into tungsten simultaneously with carbon ions was investigated by thermal desorption spectroscopy (TDS) and x-ray photoelectron spectroscopy (XPS). The D 2 TDS spectrum consisted of three desorption stages, namely desorption of deuterium trapped by intrinsic defects, ion-induced defects and carbon with the formation of the C-D bond. Although the deuterium retention trapped by intrinsic defects was almost constant, that by ion-induced defects increased as the ion fluence increased. The retention of deuterium with the formation of the C-D bond was saturated at an ion fluence of 0.5x10 22 D + m -2 , where the major process was changed from the sputtering of tungsten with the formation of a W-C mixture to the formation of a C-C layer, and deuterium retention as the C-D bond decreased. It was concluded that the C-C layer would enhance the chemical sputtering of carbon with deuterium with the formation of CD x and the chemical state of carbon would control the deuterium retention in tungsten under C + -D 2 + implantation.

Thermal desorption of deuterium from Be, and Be with helium bubbles

Energy Technology Data Exchange (ETDEWEB)

Fedorov, A.V.; Van Veen, A.; Busker, G.J. [Delft Univ. of Technology (Netherlands). Interfaculty Reactor Inst.

1998-01-01

Deuterium desorption measurements carried out on a single-crystalline beryllium sample are presented. Deuterium ions were implanted at room temperature at the energy of 0.7 and 1.2 keV up to doses ranging from 10{sup 19} to 3.6 x 10{sup 21} m{sup -2}. In order to eliminate the influence of the beryllium-oxide surface layer, before the implantation the surface of the sample was cleaned by argon sputtering. After the implantation the sample was annealed up to 1200 K at a constant rate of 10 K/s. Deuterium released from the sample was monitored by a calibrated quadrupole mass-spectrometer. The desorption spectra revealed two different contributions. One is a well defined and very narrow peak centered around 450 K. This peak is observed only at high implantation doses > 7.8 x 10{sup 20} m{sup -2}, which is close to the deuterium saturation limit of 0.3 D/Be and is related to deuterium release from blisters or interconnected bubbles. The activation energy of 1.1 eV and the threshold implantation dose are consistent with the values reported in literature. The second contribution in the release spectra is found in the temperature range from 600 to 900 K and is present throughout the whole range of the implantation doses. The activation energies corresponding to this release lie in the range between 1.8 and 2.5 eV and are ascribed to the release from deuterium-vacancy type of defects. In a number of experiments the deuterium implantation was preceded by helium implantation followed by partial annealing to create helium bubbles. The resulting deuterium desorption spectra indicate that deuterium detrapping from helium bubbles is characterized by an activation energy of 2.7 eV. (author)

The Effect of Ion Energy and Substrate Temperature on Deuterium Trapping in Tungsten

Science.gov (United States)

Roszell, John Patrick Town

Tungsten is a candidate plasma facing material for next generation magnetic fusion devices such as ITER and there are major operational and safety issues associated with hydrogen (tritium) retention in plasma facing components. An ion gun was used to simulate plasma-material interactions under various conditions in order to study hydrogen retention characteristics of tungsten thus enabling better predictions of hydrogen retention in ITER. Thermal Desorption Spectroscopy (TDS) was used to measure deuterium retention from ion irradiation while modelling of TDS spectra with the Tritium Migration Analysis Program (TMAP) was used to provide information about the trapping mechanisms involved in deuterium retention in tungsten. X-ray Photoelectron Spectroscopy (XPS) and Secondary Ion Mass Spectrometry (SIMS) were used to determine the depth resolved composition of specimens used for irradiation experiments. Carbon and oxygen atoms will be among the most common contaminants within ITER. C and O contamination in polycrystalline tungsten (PCW) specimens even at low levels (˜0.1%) was shown to reduce deuterium retention by preventing diffusion of deuterium into the bulk of the specimen. This diffusion barrier was also responsible for the inhibition of blister formation during irradiations at 500 K. These observations may provide possible mitigation techniques for problems associated with tritium retention and mechanical damage to plasma facing components caused by hydrogen implantation. Deuterium trapping in PCW and single crystal tungsten (SCW) was studied as a function of ion energy and substrate temperature. Deuterium retention was shown to decrease with decreasing ion energy below 100 eV/D+. Irradiation of tungsten specimens with 10 eV/D+ ions was shown to retain up to an order of magnitude less deuterium than irradiation with 500 eV/D+ ions. Furthermore, the retention mechanism for deuterium was shown to be consistent across the entire energy range studied (10-500 e

[Derivative spectrophotometric and NMR spectroscopic study in pharmaceutical science].

Science.gov (United States)

Kitamura, Keisuke

2007-10-01

This review starts with an introduction of derivative spectrophotometry followed by a description on the construction of a personal computer-assisted derivative spectrophotometric (DS) system. An acquisition system for inputting digitalized absorption spectra into personal computers and a BASIC program for calculating derivative spectra were developed. Then, applications of the system to drug analyses that are difficult with traditional absorption methods are described. Following this, studies on the interactions of drugs with biological macromolecules by the DS and NMR methods were discussed. An (1)H NMR study elucidated that the small unilamellar vesicle (SUV) has a single membrane made of a phosphatidylcholine bilayer, and that chlorpromazine interacts with both the outer and inner layers. (13)C NMR revealed a reduction of the dissociation constants of phenothiazine drugs due to their interaction with SUV. The partition coefficients of phenothiazine, benzodiazepine and steroid drugs in an SUV-water system and the effects of cholesterol or amino lipids content on these partition coefficients were examined by the DS method. The binding constants of phenothiazine drugs to bovine serum albumin (BSA) and the influence of Na(+), K(+), Cl(-), Br(-), and I(-) on these binding constants were determined by DS. It was found that I(-), Br(-), Cl(-) reduce the binding constants in this order, and that Na(+) and K(+) have no effect. A (19)F NMR study revealed that triflupromazine binds to BSA and human serum albumin in two regions including Site II with different populations, and that a nonsteroidal anti-inflammatory drug, niflumic acid, binds Sites Ia and Ib.

Isotope labeling strategies for NMR studies of RNA

International Nuclear Information System (INIS)

Lu, Kun; Miyazaki, Yasuyuki; Summers, Michael F.

2010-01-01

The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range 1 H- 1 H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have been employed for signal assignment and structure determination.

Study of molecular movements in some organic crystals by NMR

International Nuclear Information System (INIS)

Alexandre, M.

1971-01-01

After a discussion on molecular crystals (generalities, movements within molecular solids, study of movements, complexes by charge transfer) and some specific ones (molecular complexes of trinitrobenzene or TNB), this research thesis reports the use of nuclear magnetic resonance (NMR) to study molecular movements: generalities on broadband NMR, spin relaxation and strong field network, observation of the absorption signal and measurement of the second moment. The last part reports and discusses experimental results obtained on TNB-naphthalene, on TNB-azulene, on TNB-benzothiophene, and on TNB-indole

Neutrino disintegration of deuterium

International Nuclear Information System (INIS)

Ying, S.; Haxton, W.; Henley, E.M.

1989-01-01

We calculate the rate of both neutral- and charged-current neutrino and antineutrino disintegration of deuterium. These rates are of interest for solar 8 B and hep ( 3 He + p) spectra and supernovae neutrinos, and are relevant for the Sudbury Neutrino Observatory (SNO)

Proton NMR studies on Megaphaera elsdenii flavodoxin : structure elucidation by 2D-NMR and implications

NARCIS (Netherlands)

Mierlo, van C.

1990-01-01

¹H NMR techniques have been applied for a thorough study of the uncrystallizable Megasphaera elsdenii flavodoxin in its three redox states. The aim of the research project described in this thesis was to obtain answers regarding questions

High resolution NMR study of cellulose in solid state and in solution

International Nuclear Information System (INIS)

Saint-Germain, Jean

1983-01-01

This research thesis reports the study of native cellulose (cotton) and wood by nuclear magnetic resonance (NMR). As far as the cotton spectrum is concerned, the author assigned resonances which more specifically corresponded to amorphous or crystalline areas. Wood was studied in its bulk condition, and resonances have been determined for the different wood components. The behaviour of cellulose in solution in a solvent has been studied by liquid high resolution NMR. The solvation mechanism has been determined and a study of model components of the macromolecule allowed a conformational study of cellulose in this solvent to be performed. Bi-dimensional NMR and longitudinal relaxation time measurements highlighted the existence of an intramolecular hydrogen bond in the cellulose in solution [fr

Influence of tungsten microstructure and ion flux on deuterium plasma-induced surface modifications and deuterium retention

Energy Technology Data Exchange (ETDEWEB)

Buzi, Luxherta [IEK - Plasmaphysik, Forschungszentrum Juelich GmbH, Association EURATOM-FZJ, Juelich (Germany); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research (Netherlands); Ghent University (Belgium); Temmerman, Greg de [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research (Netherlands); Reinhart, Michael; Matveev, Dmitry; Unterberg, Bernhard; Wienhold, Peter; Breuer, Uwe; Kreter, Arkadi [IEK - Plasmaphysik, Forschungszentrum Juelich GmbH, Association EURATOM-FZJ, Juelich (Germany); Oost, Guido van [Ghent University (Belgium)

2014-07-01

Tungsten is to be used as plasma-facing material for the ITER divertor due to its favourable thermal properties, low erosion and fuel retention. Bombardment of tungsten by low energy ions of hydrogen isotopes, at different surface temperature, can lead to surface modifications and influence the fuel accumulation in the material. This contribution will assess the impact of material microstructure and the correlation between the particle flux, surface modifications and deuterium retention in tungsten. Tungsten samples were exposed to deuterium plasma at a surface temperature of 510 K, 670 K and 870 K, ion energy of 40 eV and ion fluence of 10{sup 26} m{sup -2}. The high and low ion flux ranges were in the order 10{sup 24} m{sup -2}s{sup -1} and 10{sup 22} m{sup -2}s{sup -1}. Depth profiling of deuterium in all the samples was done by secondary ion mass spectroscopy technique and a scanning electron microscope was used to investigate the surface modifications. Modelling of the D desorption spectra with the coupled reaction diffusion system model will be also presented.

Process for recovering water enriched with deuterium

International Nuclear Information System (INIS)

Mandel, H.

1975-01-01

By the process proposed herewith, enrichment of deuterium in water by cooling water recirculation through series-connection of several cooling ciruits in the form of columns is obtained. With this method, conventional, open-type cooling towers without special installations can be applied, which is an important advantage as compared with a formerly proposed single-stage process with specially designed, complicated cooling towers. Series-connection of the cooling towers is carried out in such a way that the circulating water of a certain cooling circuit, which has a corresponding output value of deuterium enrichment, is conveyed to a succeeding circuit where further enrichment is achieved. The water enriched with deuterium is removed from the last cooling circuit of the series while an amount of fresch water equivalent to the water removed or evaporated altogether is fed to the first circuit of the series. (RB) [de

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.

Confinement and heating of a deuterium-tritium plasma

International Nuclear Information System (INIS)

Hawryluk, R.J.; Adler, H.; Alling, P.

1994-03-01

The Tokamak Fusion Test Reactor (TFTR) has performed initial high-power experiments with the plasma fueled by deuterium and tritium to nominally equal densities. Compared to pure deuterium plasmas, the energy stored in the electron and ions increased by ∼20%. These increases indicate improvements in confinement associated with the use of tritium and possibly heating of electrons by α-particles

Biological effects of deuterium - depleted water

International Nuclear Information System (INIS)

Stefanescu, I.; Titescu, Gh.; Croitoru, Cornelia; Saros-Rogobete, Irina

2000-01-01

Deuterium-depleted water (DDW) is represented by water that has an isotopic content smaller than 145 ppm D/(D + H). DDW production technique consists in the separation of deuterium from water by a continuous distillation process under pressure of about 133.3 mbar. The water used as raw material has a isotopic content of 145 ppm D/(D + H) and can be demineralized water, distillated water or condensed-steam. DDW results as a distillate with an isotopic deuterium content of 15-80 ppm, depending on the level we want to achieve. Beginning with 1996 the Institute of Cryogenics and Isotopic Technologies, DDW producer, co-operated with Romanian specialized institutes for studying the biological effects of DDW. The role of naturally occurring D in living organisms was examined by using DDW instead of natural water. These investigations led to the following conclusions: - DDW caused a tendency towards the increase of the basal tone, accompanied by the intensification of the vasoconstrictor effects of phenylefrine, noradrenaline and angiotensin; the increase of the basal tone and vascular reactivity produced by the DDW persists after the removal of the vascular endothelium; - Animals treated with DDW showed an increase of the resistance both to sublethal and lethal gamma radiation doses, suggesting a radioprotective action by the stimulation of non-specific immune defense mechanisms; - DDW stimulates immuno-defense reactions represented by the opsonic, bactericidal and phagocyte capacity of the immune system together with an increase in the number of poly-morphonuclear neutrophils; - Investigations regarding artificial reproduction of fish with DDW fecundated solutions confirmed favorable influence in embryo growth stage and resistance and following growth stages; - It was studied germination, growth and quantitative character variability in plants; one can remark the favorable influence of DDW on biological processes in plants in various ontogenetic stages. (authors)

Evaluation of nuclear magnetic resonance spectroscopy for determination of deuterium abundance in body fluids: application to measurement of total-body water in human infants

International Nuclear Information System (INIS)

Rebouche, C.J.; Pearson, G.A.; Serfass, R.E.; Roth, C.W.; Finley, J.W.

1987-01-01

Nuclear magnetic resonance (NMR) spectroscopy was used to quantitate abundance of 2H in body water of human infants. This method provides precise measurement of total-body water without the extensive sample preparation requirements of previously described methods for determination of 2H content in body fluids. 2H2O (1 g/kg body weight) was administered to infants and saliva and urine were collected for up to 5 h. An internal standard was added directly to the fluid specimen and 2H enrichment in water was measured by NMR spectroscopy. Working range of deuterium abundance was 0.04-0.32 atom %. Coefficients of variation for saliva samples at 0.20 atom % 2H was 1.97%. 2H content in urine and saliva water reached a plateau by 4 h after administration, and amounts in the two fluids were virtually identical. Mean total-body water determination for six infants was 58.3 +/- 5.8% of body weight (range 53-66%)

Catalytic isotope exchange reaction between deuterium gas and water pre-adsorbed on platinum/alumina

International Nuclear Information System (INIS)

Iida, Itsuo; Kato, Junko; Tamaru, Kenzi.

1976-01-01

The catalytic isotope exchange reaction between deuterium gas and the water pre-adsorbed on Pt/Al 2 O 3 was studied. At reaction temperatures above 273 K, the exchange rate was proportional to the deuterium pressure and independent of the amount of adsorbed water, which suggests that the rate determining step is the supply of deuterium from the gas phase. Its apparent activation energy was 38 kJ mol -1 . Below freezing point of water, the kinetic behaviour was different from that above freezing point. At higher deuterium pressures the rate dropped abruptly at 273 K. Below the temperature the apparent activation energy was 54 kJ mol -1 and the exchange rate depended not on the deuterium pressure but on the amount of the pre-adsorbed water. At lower pressures, however, the kinetic behaviour was the same as the above 273 K, till the rate of the supply of deuterium from the gas phase exceeded the supply of hydrogen from adsorbed water to platinum surface. These results suggest that below 273 K the supply of hydrogen is markedly retarded, the state of the adsorbed water differing from that above 273 K. It was also demonstrated that when the adsorbed water is in the state of capillary condensation, the exchange rate becomes very small. (auth.)

Solid NMR study of lithium ions accommodated in various transition metal oxides

International Nuclear Information System (INIS)

Kanzaki, Yasushi; Suzuki, Noriko

2008-01-01

Solid NMR was used to elucidate the lithium accommodation/extraction reaction in various transition metal oxides. The first study was the lithium ion exchange reaction of titanium antimonic acid (TiSbA). The effect of hydration on the selectivity of lithium ion in the solid phase was examined using 7 Li NMR. The second study was the irreversible ion exchange behavior of HNbO 3 . The selectivity for the lithium ion and the irreversible behavior were examined using 1 H and 7 Li NMR. The third study was the isotope separation between 6 Li and 7 Li in various inorganic ion exchangers. The high isotope separation coefficient was ascribed to the degree of dehydration during the ion exchange reaction. The degree of dehydration was examined by 1 H and 7 Li NMR studies. The last study was determining the mechanism of the lithium accommodation/extraction reaction of λ-MnO 2 in an aqueous solution. The different paths between the accommodation and extraction and the formation of MnO 4- during the accommodation were determined by chemical analysis. The Knight shift in the 7 Li MAS-NMR spectra of Li 0.5 MnO 2 suggested the localization of the electron density on the lithium nuclei. An XPS study also suggested the presence of an electron density on the lithium nuclei. A pH-independent redox couple was assumed to account for the accommodation/extraction reaction of lithium ions, such as Li(I)/Li(0). (author)

Consumption of potassium permanganate by impurities in deuterium oxide

International Nuclear Information System (INIS)

Anon.

1981-01-01

The titrimetric measurement of the consumption of potassium permanganate by impurities in deuterium oxide is one of the required methods intended for use in establishing whether the deuterium oxide is of sufficient purity to meet specifications. The method includes a discussion of reagents, procedure, and calculation

Xenon-Water Interaction in Bacterial Suspensions as Studied by NMR

DEFF Research Database (Denmark)

Rodin, V.; Ponomarev, Alexander; Gerasimov, Maxim

2017-01-01

suspensions of Escherichia coli in the presence of xenon using nuclear magnetic resonance (NMR). The work studied how the spin-lattice relaxation times of water protons in suspension change under xenon conditions. Xenon is able to form clathrate hydrates with water molecules at a temperature above the melting...... point of ice. The work studied NMR relaxation times which reflect the rotation freedom of water molecules in suspension. Lower relaxation times indicate reduced rotational freedom of water. Single exponential behavior of spin-lattice relaxation of protons in the suspensions of microorganisms has been...

Influence of deuterium-depleted water on living organisms

International Nuclear Information System (INIS)

Stefanescu, I.; Titescu, Gh.; Croitoru, Cornelia; Saros-Rogobete, Irina

2000-01-01

Deuterium-depleted water (DDW) production technique consists in the separation of deuterium from water by means of an continuos distillation process under a pressure value of about 133,3 mbar. Water that is used as basic material has an isotopic content of 144 ppm D/(D+H). DDW results as distillate with an isotopic deuterium content of 15-80 ppm, depending on the level we want to achieve. Beginning with 1996 NIR and DCIT Rm. Valcea, which is a DDW producer, co-operated with Romanian specialised institutes for biological effects' evaluation of DDW. These investigations led to the next conclusions: - DDW caused a tendency towards the increase of the basal tone, accompanied by the intensification of the vasoconstrictor effects of phenylefrine, noradrenaline and angiotensin; the increase of the basal tonus and vascular reactivity produced by the DDW persist after the removal of the vascular endothelium; - Animals treated with DDW showed an increase of the resistance both to sublethal and to lethal gamma radiation doses, suggesting a radioprotective action by the stimulation of non-specific immune defence mechanisms; - DDW stimulate immune defence reactions, represented by the opsonic, bactericidal and phagocyte capacity of the immune system, together with increase in the numbers of polymorphonuclear neutrophils; - Investigations regarding artificial reproduction of fish with DDW fecundated solutions confirmed favourable influence in embryo growth stage and resistance in next growth stages; - It was studied germination, growth and quantitative characters' variability at plants; one can remark the favourable influence of DDW on biological process at plants in various ontogenic stages. Further investigations are needed in order to establish the influence of deuterium-depleted water on living organisms. (authors)

Origin of excess heat generated during loading Pd-impregnated alumina powder with deuterium and hydrogen

Energy Technology Data Exchange (ETDEWEB)

Dmitriyeva, O., E-mail: olga.dmitriyeva@colorado.edu [Department of Electrical, Computer, and Energy Engineering, University of Colorado, Boulder, CO 80309-0425 (United States); Coolescence LLC, 2450 Central Ave Ste F, Boulder, CO 80301 (United States); Cantwell, R.; McConnell, M. [Coolescence LLC, 2450 Central Ave Ste F, Boulder, CO 80301 (United States); Moddel, G. [Department of Electrical, Computer, and Energy Engineering, University of Colorado, Boulder, CO 80309-0425 (United States)

2012-09-10

Highlights: Black-Right-Pointing-Pointer We studied heat produced by hydrogen and deuterium in Pd-impregnated alumina powder. Black-Right-Pointing-Pointer Samples were fabricated using light and heavy water isotopes and varied the gas used for loading. Black-Right-Pointing-Pointer Incorporation of hydrogen and deuterium influenced the amount of heat released or consumed. Black-Right-Pointing-Pointer Pd nanoparticles appear to catalyze hydrogen/deuterium (H/D) exchange chemical reactions. Black-Right-Pointing-Pointer Anomalous heating can be accounted for by chemical rather than nuclear reactions. - Abstract: We studied heat production in Pd-impregnated alumina powder in the presence of hydrogen and deuterium gases, investigating claims of anomalous heat generated as a result of nuclear fusion, usually referred to as a low energy nuclear reaction (LENR). By selecting the water isotope used to fabricate the material and then varying the gas used for loading, we were able to influence the amount of heat released or consumed. We suggest that Pd in its nanoparticle form catalyzes hydrogen/deuterium (H/D) exchange reactions in the material. This hypothesis is supported by heat measurements, residual gas analysis (RGA) data, and calculations of energy available from H/D exchange reactions. Based on the results we conclude that the origin of the anomalous heat generated during deuterium loading of Pd-enriched alumina powder is chemical rather than nuclear.

Studies on the determination of surface deuterium in AISI 1062, 4037, and 4140 steels by secondary ion mass spectrometry

Science.gov (United States)

Sastri, V. S.; Donepudi, V. S.; McIntyre, N. S.; Johnston, D.; Revie, R. W.

1988-12-01

The concentration of deuterium at the surface of cathodically charged high strength steels AISI 1062, 4037, and 4140 has been determined by secondary ion mass spectrometry (SIMS). The beneficial effects of pickling in NAP (a mixture of nitric, acetic, and phosphoric acids) to remove surfacebound deuterium have been observed.

Structural Studies of Bcl-xL/ligand Complexes using {sup 19}F NMR

Energy Technology Data Exchange (ETDEWEB)

Yu Liping; Hajduk, Philip J.; Mack, Jamey; Olejniczak, Edward T. [GPRD, Abbott Laboratories, Pharmaceutical Discovery Division (United States)], E-mail: Edward.olejniczak@abbott.com

2006-04-15

Fluorine atoms are often incorporated into drug molecules as part of the lead optimization process in order to improve affinity or modify undesirable metabolic and pharmacokinetic profiles. From an NMR perspective, the abundance of fluorinated drug leads provides an exploitable niche for structural studies using {sup 19}F NMR in the drug discovery process. As {sup 19}F has no interfering background signal from biological sources, {sup 19}F NMR studies of fluorinated drugs bound to their protein receptors can yield easily interpretable and unambiguous structural constraints. {sup 19}F can also be selectively incorporated into proteins to obtain additional constraints for structural studies. Despite these advantages, {sup 19}F NMR has rarely been exploited for structural studies due to its broad lines in macromolecules and their ligand complexes, leading to weak signals in {sup 1}H/{sup 19}F heteronuclear NOE experiments. Here we demonstrate several different experimental strategies that use {sup 19}F NMR to obtain ligand-protein structural constraints for ligands bound to the anti-apoptotic protein Bcl-xL, a drug target for anti-cancer therapy. These examples indicate the applicability of these methods to typical structural problems encountered in the drug development process.

Determination of dew absorption by coffee plant through deuterium concentrations in leaf water

Energy Technology Data Exchange (ETDEWEB)

Leopoldo, P R [Faculdade de Ciencias Medicas e Biologicas de Botucatu (Brazil); Salati, E; Matsui, E [Centro de Energia Nuclear na Agricultura, Piracicaba (Brazil)

1975-12-01

The effect of dew falling on leaves on the water metabolism of the coffee plant (Coffea arabica) is examined. The use of natural stable isotopes variations in plant physiological studies is demonstrated. Water extracted from leaf samples is analysed by mass spectrometry. Analyses of deuterium concentrations in water extracted from plant leaves, dew and nutrient solutions are made. Determination of changes in deuterium concentration in the water of leaves from plants exposed to dew, compared with leaves not exposed to dew, is carried out. Results show that during daytime there is an enrichment in deuterium in water contained in the leaves, while at night the opposite occurs.

Determination of dew absorption by coffee plant through deuterium concentrations in leaf water

International Nuclear Information System (INIS)

Leopoldo, P.R.; Salati, E.; Matsui, E.

1975-01-01

The effect of dew falling on leaves on the water metabolism of the coffee plant (Coffea arabica) is examined. The use of natural stable isotopes variations in plant physiological studies is demonstrated. Water extracted from leaf samples is analysed by mass spectrometry. Analyses of deuterium concentrations in water extracted from plant leaves, dew and nutrient solutions are made. Determination of changes in deuterium concentration in the water of leaves from plants exposed to dew, compared with leaves not exposed to dew, is carried out. Results show that during daytime there is an enrichment in deuterium in water contained in the leaves, while at night the opposite occurs [pt

Prospects for a deuterium internal target, tensor polarized by optical pumping: spin exchange

International Nuclear Information System (INIS)

Green, M.C.

1984-01-01

The prospects for a tensor polarized deuterium target (approx. 10 15 atoms/cm 2 ) appropriate for nuclear physics studies in medium and high energy particle storage rings are discussed. Using the technique of electron spin exchange with an optically pumped sodium (or potassium) vapor, we hope to polarize deuterium at a rate approx. 10 17 atoms/sec. Predictions for the deuterium polarization for a particular target cell design will be presented leading to the identification of the required optical pumping power and cell wall depolarization probability to attain optimum performance. The technical obstacles to be surmounted in such a target design will also be discussed

Study of β-NMR for Liquid Biological Samples

CERN Document Server

Beattie, Caitlin

2017-01-01

β-NMR is an exotic form of NMR spectroscopy that allows for the characterization of matter based on the anisotropic β-decay of radioactive probe nuclei. This has been shown to be an effective spectroscopic technique for many different compounds, but its use for liquid biological samples is relatively unexplored. The work at the VITO line of ISOLDE seeks to employ this technique to study such samples. Currently, preparations are being made for an experiment to characterize DNA G-quadruplexes and their interactions with stabilizing cations. More specifically, the work in which I engaged as a summer student focused on the experiment’s liquid handling system and the stability of the relevant biological samples under vacuum.

Development of positron annihilation spectroscopy for investigating deuterium decorated voids in neutron-irradiated tungsten

Energy Technology Data Exchange (ETDEWEB)

Taylor, C.N., E-mail: chase.taylor@inl.gov [Fusion Safety Program, Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Shimada, M.; Merrill, B.J. [Fusion Safety Program, Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Akers, D.W. [Experimental Programs, Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Hatano, Y. [Hydrogen Isotope Research Center, University of Toyama, Toyama 930-8555 (Japan)

2015-08-15

The present work is a continuation of a recent research to develop and optimize positron annihilation spectroscopy (PAS) for characterizing neutron-irradiated tungsten. Tungsten samples were exposed to neutrons in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory and damaged to 0.025 and 0.3 dpa. Subsequently, they were exposed to deuterium plasmas in the Tritium Plasma Experiment (TPE) at Idaho National Laboratory. The implanted deuterium was desorbed through sample heating to 900 °C, and Doppler broadening (DB)-PAS was performed both before and after heating. Results show that deuterium impregnated tungsten is identified as having a smaller S-parameter. The S-parameter increases after deuterium desorption. Microstructural changes also occur during sample heating. These effects can be isolated from deuterium desorption by comparing the S-parameters from the deuterium-free back face with the deuterium-implanted front face. The application of using DB-PAS to examine deuterium retention in tungsten is examined.

Development of positron annihilation spectroscopy for investigating deuterium decorated voids in neutron-irradiated tungsten

Science.gov (United States)

Taylor, C. N.; Shimada, M.; Merrill, B. J.; Akers, D. W.; Hatano, Y.

2015-08-01

The present work is a continuation of a recent research to develop and optimize positron annihilation spectroscopy (PAS) for characterizing neutron-irradiated tungsten. Tungsten samples were exposed to neutrons in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory and damaged to 0.025 and 0.3 dpa. Subsequently, they were exposed to deuterium plasmas in the Tritium Plasma Experiment (TPE) at Idaho National Laboratory. The implanted deuterium was desorbed through sample heating to 900 °C, and Doppler broadening (DB)-PAS was performed both before and after heating. Results show that deuterium impregnated tungsten is identified as having a smaller S-parameter. The S-parameter increases after deuterium desorption. Microstructural changes also occur during sample heating. These effects can be isolated from deuterium desorption by comparing the S-parameters from the deuterium-free back face with the deuterium-implanted front face. The application of using DB-PAS to examine deuterium retention in tungsten is examined.

Reaction of ethane with deuterium over platinum(111) single-crystal surfaces

International Nuclear Information System (INIS)

Zaera, F.; Somorhai, G.A.

1985-01-01

Deuterium exchange and hydrogenolysis of ethane were studied over (111) platinum surfaces under atmospheric pressures and a temperature range of 475-625 K. Activation energies of 19 kcal/mol for exchange and 34 kcal/mol for hydrogenolysis were obtained. The exchange reaction rates displayed kinetic orders with respect to deuterium and ethane partial pressures of -0.55 and 1.2, respectively. The exchange production distribution was U-shaped, peaking at one and six deuterium atoms per ethane molecule, similar to results reported for other forms of platinum, e.g., supported, films, and foils. The pressure of ethylidyne moieties on the surface was inferred from low-energy electron diffraction and thermal desorption spectroscopy. A mechanism is proposed to explain the experimental results, in which ethylidyne constitutes an intermediate in one of two competitive pathways. 31 references, 9 figures, 3 tables

Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

International Nuclear Information System (INIS)

Buzi, Luxherta; Temmerman, Greg De; Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker; Oost, Guido Van; Möller, Sören

2014-01-01

Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10 23 D + /m 2 s and low: 9 · 10 21 D + /m 2 s). Particle fluence and ion energy, respectively 10 26 D + /m 2 and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion

Isotopic perturbation of degeneracy. Carbon-13 nuclear magnetic resonance spectra of dimethylcyclopentyl and dimethylnorbornyl cations

International Nuclear Information System (INIS)

Saunders, M.; Telkowski, L.; Kates, M.R.

1977-01-01

The large chemical shifts in 13 C NMR were used to measure the deuterium induced splittings and shifts in the 1 H NMR spectra of dimethylcyclopentyl and dimethylnorbornyl cations, where the deuterium perturbs the degenerate equilibrium. The isotope splitting obtained are tabulated

TD-NMR studies on CuSO{sub 4} salt hydrates

Energy Technology Data Exchange (ETDEWEB)

Nestle, Nikolaus; Magin, Peter; Wengeler, Robert [BASF Aktiengesellschaft, Ludwigshafen (Germany); Kleinschmidt, Sebastian [Universitaet Magdeburg, FB Chemie (Germany)

2008-07-01

Despite the high concentration of paramagnetic copper ions, solid CuSO{sub 4} hydrates exhibit surprizingly narrow NMR signals. This is known since the late 1940s. Using TD-NMR methods established for polymer studies, the relaxation behaviour of CuSO{sub 4} preparations with different water content was studied at room temperature. For the water content of the pentahydrate and below, the NMR signal exhibits a pure solid-state-type magnetization decay behaviour. For slightly overstoichiometric moisture contents, a liquid-like signal is observed in addition to the solid signal. However, the relative amplitudes of the solid and the liquid signal do not mirror the stoichiometric composition of the pentahydrate and the excess water. Instead, the solid signal amplitude only accounts for four hydrate water molecules while the fifth water exhibits rapid exchange with the liquid phase and thus contributes to the liquid-type signal. This finding is in good agreement to results from investigations into the crystal structure of solid CuSO4 pentahydrate.

Measurement of the deuterium concentration in water samples using a CW chemical deuterium fluoride laser

International Nuclear Information System (INIS)

Trautmann, M.

1979-10-01

In this study a new method for the determination of the deuterium content in water samples is described. The absorption of the radiation of a CW deuterium fluoride laser by the isotope HDO in the water vapor of the sample is measured by means of an optoacoustic detector (spectrophone). Thereby advantage is taken of the fact that H 2 O hardly absorbs the laser radiation and that D 2 O only exists in negligible concentrations. The isotope ratio of hydrogen can be calculated from the measured relative concentration of HDO. In the course of this investigation the relative absorption cross sections of HDO for the different laser lines were determined. It was thereby established that there exists a very good coincidence of an HDO absorption line with the 2P2 laser line. Using a very sensitive nonresonant spectrophone the relative concentration of HDO in natural water samples could be determined with an accuracy of about 10%. The experiments also demonstrated that with appropriate improvements made to the apparatus and using a second spectrophone as a reference it should be possible to increase this accuracy to 0,1%. (orig.)

Atmospheric influence on the deuterium excess signal in polar firn - implications for ice core interpretation

NARCIS (Netherlands)

Schlosser, Elisabeth; Oerter, H.; Masson-Delmotte, V.; Reijmer, C.H.

2008-01-01

The seasonal deuterium excess signal of fresh snow samples from Neumayer station, coastal Dronning Maud Land, Antarctica, was studied to investigate the relationship between deuterium excess and precipitation origin. An isotope model was combined with a trajectory model to determine the relative

In vivo 31P and 1H NMR studies of rat brain tumor pH and blood flow during acute hyperglycemia: Differential effects between subcutaneous and intracerebral locations

International Nuclear Information System (INIS)

Ross, B.D.; Mitchell, S.L.; Merkle, H.; Garwood, M.

1989-01-01

Surface coil NMR spectroscopy was used to monitor the hyperglycemia-induced alterations in pH and blood flow in vivo in C6 gliomas implanted both subcutaneously and intracerebrally in rats. Tumor pH was calculated from the chemical shift difference between PCr and Pi in the 31 P NMR spectra. Subcutaneous glioma pH decreased 0.8 units by 1 h after intraperitoneal administration of an aqueous 50% glucose solution (6 g glucose per kg body weight). In contrast, hyperglycemia failed to significantly alter the pH of intracerebral gliomas which were monitored for 90 min following administration of glucose. Tumor blood flow (TBF) was determined both pre- and post-glucose administration using deuterium NMR by monitoring the time course of D2O washout following intratumoral injection of saline D2O. Subcutaneous and intracerebral TBF were found to have an average change of -78.1% (range -47.4 to -93.3%, n = 5) and -21.1% (range +6.0 to -37.8%, n = 9), respectively. In addition, laser Doppler blood flow measurements of rat skin and subcutaneous glioma revealed a dramatic reduction in blood flow in both tissues following glucose administration. These results indicate that the effects of acute hyperglycemia are site dependent and that hyperglycemia alone is not beneficial for inducing intracellular acidosis in intracerebral tumors

Electromigration of hydrogen and deuterium in vanadium, niobium, and tantalum

International Nuclear Information System (INIS)

Jensen, C.L.

1977-10-01

The electric mobility and effective valence of hydrogen and deuterium in vanadium, niobium, tantalum and three niobium-tantalum alloys were measured. A resistance technique was used to directly determine the electric mobility of hydrogen and deuterium at 30 0 C while a steady-state method was used to measure the effective valence. The use of mass spectrographic techniques on a single specimen which contained both hydrogen and deuterium greatly increased the precision with which the isotope effect in the effective valence could be measured

NMR study of rare earth and actinide complexes

International Nuclear Information System (INIS)

Villardi de Montlaur de, G.C.

1978-01-01

Proton magnetic resonance studies of lanthanide shift reagents with olefin-transition metal complexes, monoamines and diamines as substrates are described. Shift reagents for olefins are reported: Lnsup(III)(fod) 3 can induce substantial shifts in the nmr spectra of a variety of olefins when silver 1-heptafluororobutyrate is used to complex the olefin. The preparation, properties and efficiency of such systems are described. Configurational aspects and exchange processes of Lnsup(III)(fod) 3 complexes with secondary and tertiary monoamines are analysed by means of dynamic nmr. Factors influencing the stability and the stoichiometry of these complexes and various processes such as nitrogen inversion and ligand exchange are discussed. At low temperature, ring inversion can be slow on an nmr time-scale for Lnsup(III)(fod) 3 -diamino chelates. Barriers to ring inversion in substituted ethylenediamines and propanediamines are obtained. Steric factors appear to play an important role in the stability and kinetics of these bidentate species. The synthesis of uranium-IV crown-ether and cryptate complexes is described. A conformational study of these compounds show evidence of an insertion of the paramagnetic cation as witnessed by the large induced shifts observed. The insertion of uranium in the macrocyclic ligand of a UCl 4 -dicyclohexyl-18-crown-6 complex is confirmed by an X-ray structural determination [fr

2H NMR evidence for antibiotic-induced cholesterol immobilization in biological model membranes

International Nuclear Information System (INIS)

Dufourc, E.J.; Smith, I.C.

1985-01-01

The interaction of the polyene antibiotic filipin with membrane sterols has been studied by deuterium nuclear magnetic resonance of the molecular probes [2,2,3,4,4,6- 2 H6]cholesterol and 1-myristoyl-2-[4',4',14',14',14'- 2 H5]myristoyl-sn-glycero-3-phospho- choline. At physiological temperatures, there is evidence of filipin-induced cholesterol immobilization in the membrane. The 2 H NMR spectra of cholesterol show two domains in which ordering and dynamics are very different. In one of these, cholesterol is static on the 2 H NMR time scale, whereas in the other it undergoes rapid axially symmetric motions similar to those it exhibits in the drug-free membrane; this indicates that the jumping frequency of cholesterol between the labile and immobilized domains is less than 10(5) s -1 . The distribution of cholesterol between these two sites is temperature dependent. In contrast to cholesterol, the phospholipids sense only one type of environment, at both the top and center of the bilayer, indicating that cholesterol acts as a screen, preventing the lipids from direct interaction with the antibiotic. At low temperature, the ordering of the lipid in the presence of cholesterol does not change upon filipin addition, whereas at elevated temperatures the local ordering of both the lipid and the labile cholesterol is significantly lower than that in the absence of the drug

Thermodynamic properties of solid deuterium in premelting region

International Nuclear Information System (INIS)

Udovichenko, B.G.; Esel'son, V.B.; Manzhelij, V.G.

1984-01-01

Thermal expansion and isothermal compressibility of solid normal deuterium are measured near the melting line under pressures up to 500 atm. The earlier measurement method is improved to operate in a wider range of working pressures. The effects are discussed which are produced by zero trranslational oscillations in the thermodynamic properties of deuterium. The change in the molar volume in the range from T=0 to the melting temperature is considered as a quantum characteristic of the crystal. The molar volumes of solid deuterium observed at the melting line at moderate P are compared and specified. At P=O and T=0 the molar volume of o-D 2 is found to be V 00 =(20.03+-0.07) cm 3 /mole which follows from the thermodynamic experiment

NMR Studies of Polymer Nanocomposites

National Research Council Canada - National Science Library

Greenbaum, Steve

2001-01-01

.... The primary tool is pulsed field gradient NMR. A static field gradient method was developed which makes possible variable pressure diffusion measurement, and the application to the important fuel cell membrane NAFION constitute the first results...

Protein folding kinetics by combined use of rapid mixing techniques and NMR observation of individual amide protons

International Nuclear Information System (INIS)

Roder, H.; Wuethrich, K.

1986-01-01

A method to be used for experimental studies of protein folding introduced by Schmid and Baldwin, which is based on the competition between amide hydrogen exchange and protein refolding, was extended by using rapid mixing techniques and 1 H NMR to provide site-resolved kinetic information on the early phases of protein structure acquisition. In this method, a protonated solution of the unfolded protein is rapidly mixed with a deuterated buffer solution at conditions assuring protein refolding in the mixture. This simultaneously initiates the exchange of unprotected amide protons with solvent deuterium and the refolding of protein segments which can protect amide groups from further exchange. After variable reaction times the amide proton exchange is quenched while folding to the native form continues to completion. By using 1 H NMR, the extent of exchange at individual amide sites is then measured in the refolded protein. Competition experiments at variable reaction times or variable pH indicate the time at which each amide group is protected in the refolding process. This technique was applied to the basic pancreatic trypsin inhibitor, for which sequence-specific assignments of the amide proton NMR lines had previously been obtained. For eight individual amide protons located in the beta-sheet and the C-terminal alpha-helix of this protein, apparent refolding rates in the range from 15 s-1 to 60 s-1 were observed. These rates are on the time scale of the fast folding phase observed with optical probes

Mechanism and deuterium pickup in Zr-2.5Nb alloy

International Nuclear Information System (INIS)

Ploc, R.A.

1999-12-01

There are approximately 400 Zr-2.5Nb pressure tubes in a CANDU reactor. During operation, the pressure tubes contain heavy water at about 300 deg C, 10.3 NPa with a room-temperature pD of 10.5. Operation of the pressure tube in the environment leads to oxide formation and absorption of deuterium. Excess deuterium absorption leads to precipitation of zirconium deuterides in the metal. A knowledge of how the deuterium passes through the oxide film to enter into the metal is an important step in gaining control over ingress rates. Fresnel fringe imaging of cross-sectioned oxides grown on pressure tubes, combined with tilting in the electron microscope, has revealed the three-dimensional nature of porosity in the oxide films. Two primary types exist, flake and ribbon. The main route for deuterium ingress is via ribbon porosity, as shown by electrochemical impedance spectroscopy. The location of the ribbon porosity is along the boundary between the oxidized α-Zr and β-Zr phases. Modifications to reduce ribbon porosity are possible and this, in turn, leads to significantly lower rates of deuterium absorption and extension of pressure-tube lifetime. (author)

NMR

International Nuclear Information System (INIS)

Kneeland, J.B.; Lee, B.C.P.; Whalen, J.P.; Knowles, R.J.R.; Cahill, P.T.

1984-01-01

Although still quite new, NMR imaging has already emerged as a safe, noninvasive, painless, and effective diagnostic modality requiring no ionizing radiation. Also, NMR appears already to have established itself as the method of choice for the examination of the brain spinal cord (excluding herniated disks). Another area in which NMR excels is in the examination of the pelvis. The use of surface coils offers the promise of visualizing structures with resolution unobtainable by any other means. In addition, NMR, with its superb visualization of vascular structures and potential ability to measure flow, may soon revolutionize the diagnosis of cardiovascular disease. Finally, NMR, through biochemically and physiologically based T/sub 1/ and T/sub 2/ indices or through spectroscopy, may provide a means of monitoring therapeutic response so as to permit tailoring of treatment to the individual patient. In short, NMR is today probably at the same stage as the x-ray was in Roentgen's day

Effects of hydrogen mixture into helium gas on deuterium removal from lithium titanate

Energy Technology Data Exchange (ETDEWEB)

Tsuchiya, Akihito, E-mail: tsuchiya@frontier.hokudai.ac.jp [Laboratory of Plasma Physics and Engineering, Hokkaido University, Kita-13, Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Hino, Tomoaki; Yamauchi, Yuji; Nobuta, Yuji [Laboratory of Plasma Physics and Engineering, Hokkaido University, Kita-13, Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Akiba, Masato; Enoeda, Mikio [Japan Atomic Energy Agency, 801-1, Mukoyama, Naka 311-0193 (Japan)

2013-10-15

Lithium titanate (Li{sub 2}TiO{sub 3}) pebbles were irradiated with deuterium ions with energy of 1.7 keV and then exposed to helium or helium–hydrogen mixed gas at various temperatures, in order to evaluate the effects of gas exposure on deuterium removal from the pebbles. The amounts of residual deuterium in the pebbles were measured by thermal desorption spectroscopy. The mixing of hydrogen gas into helium gas enhanced the removal amount of deuterium. In other words, the amount of residual deuterium after the helium–hydrogen mixed gas exposure at lower temperature was lower than that after the helium gas exposure. In addition, we also evaluated the pebbles exposed to the helium gas with different hydrogen mixture ratio from 0% to 1%, at 573 K. Although the amount of residual deuterium in the pebbles after the exposure decreased with increasing the hydrogen mixture ratio, the implanted deuterium partly remained after the exposure. These results suggest that the tritium inventory may occur at low temperature region in the blanket during the operation.

Transport of recycled deuterium to the plasma core in TFTR

International Nuclear Information System (INIS)

Skinner, C.H.; Bell, M.G.; Budny, R.V.; Jassby, D.L.; Park, H.; Ramsey, A.T.; Stotler, D.P.; Strachan, J.D.

1997-10-01

The authors report a study of the fueling of the plasma core by recycling in the Tokamak Fusion Test Reactor (TFTR). They have analyzed discharges fueled by deuterium recycled from the limiter and tritium-only neutral beam injection. In these plasmas, the DT neutron rate provides a measure of the deuterium influx into the core plasma. They find a reduced influx with plasmas using lithium pellet conditioning and with plasmas of reduced major (and minor) radius. Modeling with the DEGAS neutrals code shows that the dependence on radius can be related to the penetration of neutrals through the scrape-off layer

Measurement of the deuterium Balmer series line emission on EAST

Energy Technology Data Exchange (ETDEWEB)

Wu, C. R.; Xu, Z.; Jin, Z.; Zhang, P. F. [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei, Anhui 230031 (China); Science Island Branch of Graduate School, University of Science and Technology of China, Hefei, Anhui 230031 (China); Huang, J., E-mail: juan.huang@ipp.ac.cn; Gao, W.; Gao, W.; Chang, J. F.; Xu, J. C.; Duan, Y. M.; Chen, Y. J.; Zhang, L.; Wu, Z. W.; Li, J. G. [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei, Anhui 230031 (China); Hou, Y. M. [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, Hefei, Anhui 230031 (China); School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-11-15

Volume recombination plays an important role towards plasma detachment for magnetically confined fusion devices. High quantum number states of the Balmer series of deuterium are used to study recombination. On EAST (Experimental Advanced Superconducting Tokamak), two visible spectroscopic measurements are applied for the upper/lower divertor with 13 channels, respectively. Both systems are coupled with Princeton Instruments ProEM EMCCD 1024B camera: one is equipped on an Acton SP2750 spectrometer, which has a high spectral resolution ∼0.0049 nm with 2400 gr/mm grating to measure the D{sub α}(H{sub α}) spectral line and with 1200 gr/mm grating to measure deuterium molecular Fulcher band emissions and another is equipped on IsoPlane SCT320 using 600 gr/mm to measure high-n Balmer series emission lines, allowing us to study volume recombination on EAST and to obtain the related line averaged plasma parameters (T{sub e}, n{sub e}) during EAST detached phases. This paper will present the details of the measurements and the characteristics of deuterium Balmer series line emissions during density ramp-up L-mode USN plasma on EAST.

Method to separate deuterium isotopes using ethylene and ethylene dichloride

International Nuclear Information System (INIS)

Benson, S.W.

1979-01-01

The separation of deuterium by the dissociation of ethylene vinyl chloride, 1,2-dichloro-ethanes or propylene with the help of intensive, matched infrared lasers enables a relatively good yield if operated on a large scale, e.g. in refineries with large through-put. The deuterium from the laser photolysis of ethylene and vinyl chloride is found in the acetylene formed, which has to be separated off and processed. When using dichloroehtane, the deuterium is found in the vinal chloride formed. The methods are briefly described. (UWI) [de

Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)

Science.gov (United States)

Kupka, Teobald; Wieczorek, Piotr P.

2016-01-01

In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of 1H and 13C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density functional theory (DFT). The effect of solvent in theoretical calculations was included via polarized continuum model (PCM) and the hybrid three-parameter B3LYP density functional in combination with 6-311++G(3df,2pd) basis set enabled calculation of reliable structures of non-ionized (neutral) molecule and its NH and zwitterionic forms in the gas phase, chloroform, DMSO and water. GIAO NMR calculations, using equilibrium and rovibrationally averaged geometry, at B3LYP/6-31G* and B3LYP/aug-cc-pVTZ-J levels of theory provided muscimol nuclear magnetic shieldings. The theoretical proton and carbon chemical shifts were critically compared with experimental NMR spectra measured in DMSO. Our results provide useful information on its structure in solution. We believe that such data could improve the understanding of basic features of muscimol at atomistic level and provide another tool in studies related to GABA analogs.

Synthesis of deuterium labelled ibuprofen

International Nuclear Information System (INIS)

Cappon, V.J.; Halstead, G.W.; Theis, D.L.

1986-01-01

The preparations of [ar- 2 H 4 ]-ibuprofen and [ar, 3,3,3- 2 H 7 ]-ibuprofen are described. The deuterium was incorporated into the aromatic ring of [ar- 2 H 4 ]-ibuprofen which is a metabolically stable position. [ar, 3,3,3- 2 H 7 ]-ibuprofen was synthesized by the same route using [ 2 H 3 ]-CH 3 I instead of CH 3 I for use as a GC/MS internal standard in stable isotope labelled bioavailability studies. (author)

Dynamic NMR Study of Model CMP Slurry Containing Silica Particles as Abrasives

Science.gov (United States)

Odeh, F.; Al-Bawab, A.; Li, Y.

2018-02-01

Chemical mechanical planarization (CMP) should provide a good surface planarity with minimal surface defectivity. Since CMP slurries are multi-component systems, it is very important to understand the various processes and interactions taking place in such slurries. Several techniques have been employed for such task, however, most of them lack the molecular recognition to investigate molecular interactions without adding probes which in turn increase complexity and might alter the microenvironment of the slurry. Nuclear magnetic resonance (NMR) is a powerful technique that can be employed in such study. The longitudinal relaxation times (T1) of the different components of CMP slurries were measured using Spin Echo-NMR (SE-NMR) at a constant temperature. The fact that NMR is non-invasive and gives information on the molecular level gives more advantage to the technique. The model CMP slurry was prepared in D2O to enable monitoring of T1 for the various components' protons. SE-NMR provide a very powerful tool to study the various interactions and adsorption processes that take place in a model CMP silica based slurry which contains BTA and/or glycine and/or Cu+2 ions. It was found that BTA is very competitive towards complexation with Cu+2 ions and BTA-Cu complex adsorbs on silica surface.

Continuous-Flow Synthesis of Deuterium-Labeled Antidiabetic Chalcones: Studies towards the Selective Deuteration of the Alkynone Core

Directory of Open Access Journals (Sweden)

Sándor B. Ötvös

2016-03-01

Full Text Available Flow chemistry-based syntheses of deuterium-labeled analogs of important antidiabetic chalcones were achieved via highly controlled partial C≡C bond deuteration of the corresponding 1,3-diphenylalkynones. The benefits of a scalable continuous process in combination with on-demand electrolytic D2 gas generation were exploited to suppress undesired over-reactions and to maximize reaction rates simultaneously. The novel deuterium-containing chalcone derivatives may have interesting biological effects and improved metabolic properties as compared with the parent compounds.

Molecular Beam Studies of Hot Atom Chemical Reactions: Reactive Scattering of Energetic Deuterium Atoms

Science.gov (United States)

Continetti, R. E.; Balko, B. A.; Lee, Y. T.

1989-02-01

A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H{sub 2} -> DH + H and the substitution reaction D + C{sub 2}H{sub 2} -> C{sub 2}HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible.

Molecular beam studies of hot atom chemical reactions: Reactive scattering of energetic deuterium atoms

International Nuclear Information System (INIS)

Continetti, R.E.; Balko, B.A.; Lee, Y.T.

1989-02-01

A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H 2 /minus/> DH + H and the substitution reaction D + C 2 H 2 /minus/> C 2 HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible. 18 refs., 9 figs

Deuterium secondary isotope kinetic effects in imine formation reactions

International Nuclear Information System (INIS)

Amaral, L. do; Rossi, M.H.

1986-01-01

The kinetic α-deuterium isotope effects, K D /K H , for reaction mechanisms is studied. The reaction of pH function to m-bromobenzaldehyde, semicarbazide nucleophile, methoxy-amine and hydroxylamine are analysed. (M.J.C.) [pt

Influence of particle flux density and temperature on surface modifications of tungsten and deuterium retention

Energy Technology Data Exchange (ETDEWEB)

Buzi, Luxherta, E-mail: l.buzi@fz-juelich.de [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Université de Lorraine, Institut Jean Lamour, CNRS UMR 7198, Bvd. des Aiguillettes, F-54506 Vandoeuvre (France); Temmerman, Greg De [FOM Institute DIFFER-Dutch Institute for Fundamental Energy Research, Edisonbaan 14, 3439 MN, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Unterberg, Bernhard; Reinhart, Michael; Litnovsky, Andrey; Philipps, Volker [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany); Oost, Guido Van [Ghent University, Department of Applied Physics, Sint-Pietersnieuwstraat 41, B-9000 Ghent (Belgium); Möller, Sören [Institut für Energie und Klimaforschung – Plasmaphysik, Forschungszentrum Jülich GmbH, Leo-Brandt-Straße, 52425 Jülich (Germany)

2014-12-15

Systematic study of deuterium irradiation effects on tungsten was done under ITER – relevant high particle flux density, scanning a broad surface temperature range. Polycrystalline ITER – like grade tungsten samples were exposed in linear plasma devices to two different ranges of deuterium ion flux densities (high: 3.5–7 · 10{sup 23} D{sup +}/m{sup 2} s and low: 9 · 10{sup 21} D{sup +}/m{sup 2} s). Particle fluence and ion energy, respectively 10{sup 26} D{sup +}/m{sup 2} and ∼38 eV were kept constant in all cases. The experiments were performed at three different surface temperatures 530 K, 630 K and 870 K. Experimental results concerning the deuterium retention and surface modifications of low flux exposure confirmed previous investigations. At temperatures 530 K and 630 K, deuterium retention was higher at lower flux density due to the longer exposure time (steady state plasma operation) and a consequently deeper diffusion range. At 870 K, deuterium retention was found to be higher at high flux density according to the thermal desorption spectroscopy (TDS) measurements. While blisters were completely absent at low flux density, small blisters of about 40–50 nm were formed at high flux density exposure. At the given conditions, a relation between deuterium retention and blister formation has been found which has to be considered in addition to deuterium trapping in defects populated by diffusion.

Tests of a polarized source of hydrogen and deuterium based on spin-exchange optical pumping and a storage cell for polarized deuterium

International Nuclear Information System (INIS)

Holt, R.J.; Gilman, R.; Kinney, E.R.

1988-01-01

A novel laser-driven polarized source of hydrogen and deuterium which is based on the principle of spin-exchange optical pumping has been developed at Argonne. The advantages of this method over conventional polarized sources for internal target experiments is discussed. At present, the laser-driven polarized source delivers hydrogen 8 x 10 16 atoms/s with a polarization of 24% and deuterium at 6 x 10 16 atoms/s with a polarization of 25%. A passive storage cell for polarized deuterium was tested in the VEPP-3 electron storage ring. The storage cell was found to increase the target thickness by approximately a factor of three and no loss in polarization was observed. 10 refs., 4 figs., 2 tabs

31P-NMR study of human pyrimidine 5'-nucleotidase deficient erythrocytes

International Nuclear Information System (INIS)

Higaki, Tsuyoshi; Kagimoto, Tadashi; Nagata, Koichi; Tanase, Sumio; Morino, Yoshimasa; Takatsuki, Kiyoshi

1982-01-01

Metabolic disorder of nucleotides in human pyrimidine 5'-nucleotidase (P5N) deficient erythrocytes was studied by 31 P-NMR with high resolution. Identification by combination of high-speed liquid chromatography revealed two-fold increases from the normal in the spectra in the α-, β- and γ-zones of nucleoside triphosphates of P5N deficient erythrocytes, 2,3-diphosphoglycerate shifted to the 0.3 ppm low magnetic field and signals of NAD and UDP-sugars(s) in the diphosphodiester zone. These results were obtained from the 31 P-NMR spectrum about one hour after blood sampling, indicating the high utility of this NMR for the diagnosis of P5N deficiency. (Chiba, N.)

Water speciation in sodium silicate glasses (quenched melts): A comprehensive NMR study

Science.gov (United States)

Xue, X.; Kanzaki, M.; Eguchi, J.

2012-12-01

Dissolution mechanism of water is an important factor governing how the dissolved water affects the physical and thermodynamic properties of silicate melts and glasses. Our previous studies have demonstrated that 1H MAS NMR in combination with 29Si-1H and 27Al-1H double-resonance NMR experiments is an effective approach for unambiguously differentiating and quantifying different water species in quenched silicate melts (glasses). Several contrasting dissolution mechanisms have been revealed depending on the melt composition: for relatively polymerized melts, the formation of SiOH/AlOH species (plus molecular H2O) and depolymerization of the network structure dominate; whereas for depolymerized Ca-Mg silicate melts, free OH (e.g. MgOH) become increasingly important (cf. [1]). The proportion of free OH species has been shown to decrease with both increasing melt polymerization (silica content) and decreasing field strength of the network modifying cations (from Mg to Ca). Our previous 1H and 29Si MAS NMR results for hydrous Na silicate glasses of limited compositions (Na2Si4O9 and Na2Si2O5) were consistent with negligible free OH (NaOH) species and depolymerizing effect of water dissolution [2]. On the other hand, there were also other studies that proposed the presence of significant NaOH species in hydrous glasses near the Na2Si2O5 composition. The purpose of this study is apply the approach of combined 1H MAS NMR and double-resonance (29Si-1H and 23Na-1H) NMR to gain unambiguous evidence for the OH speciation in Na silicate glasses (melts) as a function of composition. Hydrous Na silicate glasses containing mostly ≤ 1 wt% H2O for a range of Na/Si ratios from 0.33 to 1.33 have been synthesized by rapidly quenching melts either at 0.2 GPa using an internally heated gas pressure vessel or at 1 GPa using a piston cylinder high-pressure apparatus. NMR spectra have been acquired using a 9.4 T Varian Unity-Inova spectrometer. The 29Si and 1H chemical shifts are

Advanced NMR technology for bioscience and biotechnology

Energy Technology Data Exchange (ETDEWEB)

Hammel, P.C.; Hernandez, G.; Trewhella, J.; Unkefer, C.J. [Los Alamos National Lab., NM (US); Boumenthal, D.K. [Univ. of Utah, Salt Lake City, UT (US); Kennedy, M.A. [Pacific Northwest National Lab., Richland, WA (US); Moore, G.J. [Wayne State Univ., Detroit, MI (US)

1998-11-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). NMR plays critical roles in bioscience and biotechnology in both imaging and structure determination. NMR is limited, however, by the inherent low sensitivity of the NMR experiment and the demands for spectral resolution required to study biomolecules. The authors addressed both of these issues by working on the development of NMR force microscopy for molecular imaging, and high field NMR with isotope labeling to overcome limitations in the size of biomolecules that can be studied using NMR. A novel rf coil design for NMR force microscopy was developed that increases the limits of sensitivity in magnetic resonance detection for imaging, and the authors demonstrated sub-surface spatial imaging capabilities. The authors also made advances in the miniaturization of two critical NMR force microscope components. They completed high field NMR and isotope labeling studies of a muscle protein complex which is responsible for regulating muscle contraction and is too large for study using conventional NMR approaches.

NMR studies of organic liquids confined in mesoporous materials: (1) Pore size distribution and (2) Phase behaviour and dynamic studies in restricted geometry

International Nuclear Information System (INIS)

Foerland, Kjersti

2005-01-01

In the thesis NMR spectroscopy is used for studying liquids confined in various porous materials. In the first part, pore size distributions of mesoporous silicas and controlled pore glasses were determined by measuring the 1H NMR signal from the non-frozen fraction of the confined liquid as a function of temperature, using benzene, acetonitrile and HMDS as probe molecules. In the second part, the molecular dynamics of acetonitrile, hexamethyldisilane, cyclohexane and cyclopentane confined in mesoporous materials were studied as a function of temperature. 6 papers are included with titles: 1) Pore-size determination of mesoporous materials by 1H NMR spectroscopy. 2) Pore-size distribution in mesoporous materials as studied by 1H NMR. 3) Dynamic 1H and 2H NMR investigations of acetonitrile confined in porous silica. 4) NMR investigations of hexamethyldisilane confined in controlled pore glasses: Pore size distribution and molecular dynamics studies. 5) 1H and 2H NMR studies of cyclohexane nano crystals in controlled pore glasses. 6) 1H NMR relaxation and diffusion studies of cyclohexane and cyclopentane confined in MCM-41

NMR studies of organic liquids confined in mesoporous materials: (1) Pore size distribution and (2) Phase behaviour and dynamic studies in restricted geometry

Energy Technology Data Exchange (ETDEWEB)

Foerland, Kjersti

2005-07-01

In the thesis NMR spectroscopy is used for studying liquids confined in various porous materials. In the first part, pore size distributions of mesoporous silicas and controlled pore glasses were determined by measuring the 1H NMR signal from the non-frozen fraction of the confined liquid as a function of temperature, using benzene, acetonitrile and HMDS as probe molecules. In the second part, the molecular dynamics of acetonitrile, hexamethyldisilane, cyclohexane and cyclopentane confined in mesoporous materials were studied as a function of temperature. 6 papers are included with titles: 1) Pore-size determination of mesoporous materials by 1H NMR spectroscopy. 2) Pore-size distribution in mesoporous materials as studied by 1H NMR. 3) Dynamic 1H and 2H NMR investigations of acetonitrile confined in porous silica. 4) NMR investigations of hexamethyldisilane confined in controlled pore glasses: Pore size distribution and molecular dynamics studies. 5) 1H and 2H NMR studies of cyclohexane nano crystals in controlled pore glasses. 6) 1H NMR relaxation and diffusion studies of cyclohexane and cyclopentane confined in MCM-41.

Evidence for Nuclear Tensor Polarization of Deuterium Molecules in Storage Cells

International Nuclear Information System (INIS)

van den Brand, J.; Bulten, H.; Zhou, Z.; Unal, O.; van den Brand, J.; Ferro-Luzzi, M.; Botto, T.; Bouwhuis, M.; Heimberg, P.; de Jager, C.; de Lange, D.; Nooren, G.; Papadakis, N.; Passchier, I.; Poolman, H.; Steijger, J.; Vodinas, N.; de Vries, H.; van den Brand, J.; Ferro-Luzzi, M.; Lang, J.; Alarcon, R.; Dolfini, S.; Ent, R.; Higinbotham, D.

1997-01-01

Deuterium molecules were obtained by recombination, on a copper surface, of deuterium atoms prepared in specific hyperfine states. The molecules were stored for about 5ms in an open-ended cylindrical cell, placed in a 23mT magnetic field, and their tensor polarization was measured by elastic scattering of 704MeV electrons. The results of the measurements are consistent with the deuterium molecules retaining the tensor polarization of the initial atoms. copyright 1997 The American Physical Society

Recent experimental results on solutions of deuterium in lithium

International Nuclear Information System (INIS)

Ihle, H.R.; Wu, C.H.

1976-01-01

The existence of a number of stable molecules containing lithium and hydrogen isotopes in the saturated vapor over dilute solutions of hydrogen isotopes in lithium causes an unexpectedly high density of hydrogen isotopes in the vapor at high temperature. An evaluation of the partial pressures of the gas species Li, Li 2 , LiD, Li 2 D, LiD 2 and D 2 over solutions of deuterium in lithium measured in the temperature range 770 to 970 0 K, and extrapolation to higher temperatures, leads to the conclusion that the ratio of the atom fraction of deuterium in the gas to its atom fraction in the liquid exceeds unity above approximately 1240 0 K; this ratio is independent of the deuterium atom fraction in the liquid at low concentrations. Therefore the thermodynamic supposition that hydrogen isotopes can be separated from lithium by fractional distillation even at extremely low concentration exists. A direct verification of this phenomenon was made by Rayleigh distillation of Li-D solutions in the temperature range 970 to 1600 0 K. These measurements yield also the ratio of the deuterium atom fraction in the gas to that in the liquid and are in good agreement with the data obtained by extrapolation of partial pressures. The enrichment and depletion of deuterium in dependence on the number of theoretical plates of a distillation column at total reflux is calculated using the results

Deuterium transport and trapping in polycrystalline tungsten

International Nuclear Information System (INIS)

Anderl, R.A.; Holland, D.F.; Longhurst, G.R.; Pawelko, R.J.; Trybus, C.L.; Sellers, C.H.

1992-01-01

This paper reports that deuterium permeation studies for polycrystalline tungsten foil have been conducted to provide data for estimating tritium transport and trapping in tungsten-clad divertors proposed for advanced fusion-reactor concepts. Based on a detailed transmission electron microscopy (TEM) microstructural characterization of the specimen material and on analyses of permeation data measured at temperatures ranging form 610 to 823 K for unannealed and annealed tungsten foil (25 μm thick), the authors note the following key results: deuterium transport in tungsten foil is dominated by extensive trapping that varies inversely with prior anneal temperatures of the foil material, the reduction in the trapped fraction correlates with a corresponding elimination of a high density of dislocations in cell-wall structures introduced during the foil fabrication process, trapping behavior in these foils can be modelled using trap energies between 1.3 eV and 1.5 eV and trap densities ranging from 1 x 10 -5 atom fraction

Deuterium content of the Venus atmosphere

International Nuclear Information System (INIS)

Bertaux, -J.-L.; Clarke, J.T.

1989-01-01

The abundance of deuterium in the atmosphere of Venus is an important clue to the planet's history, because ordinary and deuterated water escape at different rates. Using the high-resolution mode of the International Ultraviolet Explorer (IUE), we measured hydrogen Lyman-α-emission but found only an upper limit on deuterium Lyman-α-emission, from which we inferred a D/H ratio of less than 2-5 x 10 -3 . This is smaller by a factor of 3-8 than the D/H ratio derived from measurements by the Pioneer Venus Large Probe, and may indicate either a stratification of D/H ratio with altitude or a smaller overall ratio than previously thought. (author)

Viscosity and attenuation of sound wave in high density deuterium

International Nuclear Information System (INIS)

Inoue, Kazuko; Ariyasu, Tomio

1985-01-01

The penetration of low frequency sound wave into the fuel deuterium is discussed as for laser fusion. The sound velocity and the attenuation constant due to viscosity are calculated for high density (n = 10 24 -- 10 27 cm -3 , T = 10 -1 -- 10 4 eV) deuterium. The shear viscosity of free electron gas and the bulk viscosity due to ion-ion interaction mainly contribute to the attenuation of sound wave. The sound wave of the frequency below 10 10 Hz can easily penetrate through the compressed fuel deuterium of diameter 1 -- 10 3 μm. (author)

Electromigration of hydrogen and deuterium in vanadium and niobium by a resistance method

International Nuclear Information System (INIS)

Peterson, D.T.; Jensen, C.L.

1978-01-01

The electric mobility of hydrogen and deuterium has been measured at 30 0 C in niobium (Cb) and vanadium by a resistance method. The electric mobility was found to be 5.7 x 10 -4 cm 2 /V-s for hydrogen and 2.8 x 10 -4 for deuterium in niobium. In vanadium the electric mobilities were 2.3 x 10 -3 and 1.3 x 10 -3 cm 2 /V-s for hydrogen and deuterium, respectively. The effective charges calculated using reported diffusion coefficients are positive and are slightly greater for deuterium than for hydrogen in both vanadium and niobium. The resistivity increase due to the hydrogen isotopes in vanadium and niobium was also measured. Hydrogen was found to contribute 0.65 μ ohm-cm/at. % and deuterium 0.58 μ ohm-cm/at. % to the resistivity of niobium. In vanadium, the solute resistivities were found to be 0.98 μ ohm-cm/at. % and 0.90 μ ohm-cm/at. % for hydrogen and deuterium, respectively

The sensitizing phenomenon of X-ray film in the experiment of metals loaded with deuterium

International Nuclear Information System (INIS)

Chen Suhe; Wang Dalun; Chen Wenjang; Li Yijun; Fu Yibei; Zhang Xinwei

1993-01-01

The sensitizing phenomenon of X-ray film was studied, in metals loaded with deuterium, by a cycle method of temperature and pressure (CMTP). The experimental results showed that the sensitization of X-ray film was derived from the chemical reaction and the anomalous effect of metals loaded with deuterium. (author)

Automated sample preparation station for studying self-diffusion in porous solids with NMR spectroscopy

Science.gov (United States)

Hedin, Niklas; DeMartin, Gregory J.; Reyes, Sebastián C.

2006-03-01

In studies of gas diffusion in porous solids with nuclear magnetic resonance (NMR) spectroscopy the sample preparation procedure becomes very important. An apparatus is presented here that pretreats the sample ex situ and accurately sets the desired pressure and temperature within the NMR tube prior to its introduction in the spectrometer. The gas manifold that supplies the NMR tube is also connected to a microbalance containing another portion of the same sample, which is kept at the same temperature as the sample in the NMR tube. This arrangement permits the simultaneous measurement of the adsorption loading on the sample, which is required for the interpretation of the NMR diffusion experiments. Furthermore, to ensure a good seal of the NMR tube, a hybrid valve design composed of titanium, a Teflon® seat, and Kalrez® O-rings is utilized. A computer controlled algorithm ensures the accuracy and reproducibility of all the procedures, enabling the NMR diffusion experiments to be performed at well controlled conditions of pressure, temperature, and amount of gas adsorbed on the porous sample.

NMR studies of transmembrane electron transport in human erythrocytes

International Nuclear Information System (INIS)

Kennett, E.C.; Bubb, W.A.; Kuchel, P.W.

2002-01-01

Full text: Electron transport systems exist in the plasma membranes of all cells. These systems appear to play a role in cell growth and proliferation, intracellular signalling, hormone responses, apoptotic events, cell defence and perhaps most importantly they enable the cell to respond to changes in the redox state of both the intra- and extracellular environments. Previously, 13 C NMR has been used to study transmembrane electron transport in human erythrocytes, specifically the reduction of extracellular 13 C-ferricyanide. NMR is a particularly useful tool for studying such systems as changes in the metabolic state of the cell can be observed concomitantly with extracellular reductase activity. We investigated the oxidation of extracellular NADH by human erythrocytes using 1 H and 31 P NMR spectroscopy. Recent results for glucose-starved human erythrocytes indicate that, under these conditions, extracellular NADH can be oxidised at the plasma membrane with the electron transfer across the membrane resulting in reduction of intracellular NAD + . The activity is inhibited by known trans-plasma membrane electron transport inhibitors (capsaicin and atebrin) and is unaffected by inhibition of the erythrocyte Band 3 anion transporter. These results suggest that electron import from extracellular NADH allows the cell to re-establish a reducing environment after the normal redox balance is disturbed

Neutron production with mixture of deuterium and krypton in Sahand Filippov type plasma focus facility

International Nuclear Information System (INIS)

Mohammadi, M.A.; Sobhanian, S.; Rawat, R.S.

2011-01-01

This Letter reports the order of magnitude enhancement in neutron yield from Sahand plasma focus device with krypton seeded deuterium operation. The highest average neutron yield of 2.2x10 9 neutrons per shot was achieved at 1.00 Torr deuterium with 3% krypton which is higher than the best average neutron yield of 3.18x10 8 neutrons per shot for pure deuterium operation. Estimation of average neutron energy showed that the maximum and minimum average energies are 2.98±0.6 MeV at 16 kV in 0.25 Torr deuterium with 3% Kr and 2.07±0.2 MeV at 18 kV operation in 0.5 Torr deuterium with 3% Kr, respectively. The anisotropy of neutron emission from Sahand DPF showed that the neutrons are produced mainly by beam-target mechanisms. -- Highlights: → The highest average neutron yield of 2.2x10 9 neutrons per shot was achieved at mixture of deuterium and krypton. → In the krypton seeding of deuterium also anisotropy of neutron emission deuterium is found. → The krypton seeding of deuterium made the neutron emission more reliable over wider operating pressure ranges.

Deuterium depth profiling in JT-60U W-shaped divertor tiles by nuclear reaction analysis

International Nuclear Information System (INIS)

Hayashi, T.; Ochiai, K.; Masaki, K.; Gotoh, Y.; Kutsukake, C.; Arai, T.; Nishitani, T.; Miya, N.

2006-01-01

Deuterium concentrations and depth profiles in plasma-facing graphite tiles used in the divertor of JAERI Tokamak-60 Upgrade (JT-60U) were investigated by nuclear reaction analysis (NRA). The highest deuterium concentration of D/ 12 C of 0.053 was found in the outer dome wing tile, where the deuterium accumulated probably through the deuterium-carbon co-deposition. In the outer and inner divertor target tiles, the D/ 12 C data were lower than 0.006. Additionally, the maximum (H + D)/ 12 C in the dome top tile was estimated to be 0.023 from the results of NRA and secondary ion mass spectroscopy (SIMS). Orbit following Monte-Carlo (OFMC) simulation showed energetic deuterons caused by neutral beam injections (NBI) were implanted into the dome region with high heat flux. Furthermore, the surface temperature and conditions such as deposition and erosion significantly influenced the accumulation process of deuterium. The deuterium depth profile, scanning electron microscope (SEM) observation and OFMC simulation indicated the deuterium was considered to accumulate through three processes: the deuterium-carbon co-deposition, the implantation of energetic deuterons and the deuterium diffusion into the bulk

Solid state deuterium nuclear magnetic resonance detection of transmembrane-potential-driven tetraphenylphosphonium redistribution across Giant Unilamellar Vesicle bilayers

International Nuclear Information System (INIS)

Franzin, Carla Maria Mirella

1995-01-01

It has been demonstrated that deuterium nuclear magnetic resonance ( 2 H NMR) of Giant Unilamellar Vesicles (GUVs) consisting of specifically choline-deuterated 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), plus 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG) and cholesterol can be used to monitor the transbilayer redistribution of tetraphenylphosphonium (TPP + ) in response to a transmembrane potential (δψ tm ). The 2 H quadrupolar splittings (δν Q 's) measured reflect the level of TPP + bound at the membrane surface due to the latter's effect on the membrane surface electrostatic potential, ψ s . Results reveal the appearance of two distinct δν Q 's, due to differences in bound TPP + at the inner versus the outer monolayer in response to a δψ tm . The observed values of the δν Q 's agree with theoretical predictions based on a derived mathematical model that takes into account δψ tm , plus ψ s , plus the equilibrium binding of TPP + from solution onto the membrane surface, plus the sensitivity of δν Q to the amount of bound TPP + . This model identifies experimental factors that lead to improvements in spectral resolution. Henceforth, 2 H NMR is a valuable tool for quantifying transmembrane asymmetries of ψ s . (author)

Production of polarized negative deuterium ion beam with dual optical pumping in KEK

Energy Technology Data Exchange (ETDEWEB)

Kinsho, M.; Ikegami, K.; Takagi, A. [National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan); Mori, Y.

1997-02-01

To obtain highly nuclear-spin vector polarized negative deuterium ion beam, a dual optically pumped polarized negative deuterium ion source has been developed at KEK. It is possible to select a pure nuclear-spin state with this scheme, and negative deuterium ion beam with 100% nuclear-spin vector polarization can be produced in principle. We have obtained about 70% of nuclear-spin vector polarized negative deuterium ion beam so far. This result may open up a new possibilities for the optically pumped polarized ion source. (author)

Thermal desorption of deuterium from polycrystalline nickel pre-implanted with helium

International Nuclear Information System (INIS)

Shi, S.Q.; Abramov, E.; Thompson, D.A.

1990-01-01

The thermal desorption technique has been used to study the trapping of deuterium atoms in high-purity polycrystalline nickel pre-implanted with helium for 1 x 10 19 to 5 x 10 20 ions/m 2 . The effect of post-implantation annealing at 703 K and 923 K on the desorption behavior was investigated. Measured values of the total amount of detrapped deuterium (Q T ) and helium concentration were used in a computer simulation of the desorption curve. It was found that the simulation using one or two discrete trap energies resulted in an inadequate fit between the simulated and the measured data. Both experimental and simulation results are explained using a stress-field trapping model. The effective binding energy, E b eff , was estimated to be in the range of 0.4-0.6 eV. Deuterium charging was found to stimulate a release of helium at a relatively low temperature

Synthesis of deuterium-labeled prochlorperazine.

Science.gov (United States)

Hawes, E M; Gurnsey, T S; Shetty, H U; Midha, K K

1983-06-01

The propylpiperazine side chain of prochlorperazine was labeled with two, four, or six deuterium atoms by lithium aluminum deuteride reduction of the appropriate amide. The isotopic purity of the products after correcting for chlorine isotopes was greater than 95.7%.

Broad line NMR study of modified polypropylene fibres

International Nuclear Information System (INIS)

Olcak, D.; Sevcovic, L.; Mucha, L.

1999-01-01

Study of drawn fibres prepared from an isostatic polypropylene modified by an ethylene aminoalkylacrylate copolymer has been done using the broad line of 1 H NMR. NMR spectra were measured on the set of fibres prepared with a draw ratio λ from 1 to 5.5 at two temperatures, one of them corresponding to the onset of segmental motion and the other one is the minddle of the temperature interval as determined by decrease of the second moment M 2 . Decomposition of the spectra into elementary components related to the amorphous, intermediate and crystalline regions of partially crystalline polymers has been made. The drawing of the fibres was found to enhance the chain mobility in the amorphous region and to restrain the molecular motion in the intermediate region. Such behaviour well supports conclusions predicted in the earlier study based on the spin-lattice relaxation time T 1 and dynamic mechanical data treated using the WLF theory. (Authors)

Damage, trapping and desorption at the implantation of helium and deuterium in graphite, diamond and silicon carbide

International Nuclear Information System (INIS)

Lopez, G.A.R.

1995-07-01

The production, thermal stability and structure of ion induced defects have been studied by Rutherford backscattering in channeling geometry for the implantation of helium and deuterium in graphite, diamond and silicon carbide with energies of 8 and 20 keV. At the implantation of deuterium and helium ions more defects were measured in graphite than in diamond or silicon carbide at equal experimental conditions. This is due to increased backscattering in graphite, which is caused by the splitting and tilting of crystallites and a local reordering of lattice atoms around defects. At 300 K, Helium produces more defects in all three materials than deuterium with equal depth distribution of defects. The ratio of the defects produced by helium and deuterium agrees very well with the corresponding ratio of the energy deposited in nuclear collisions. In graphite, only small concentrations of deuterium induced defects anneal below 800 K, while in diamond small concentrations of deuterium as well as of helium induced defects anneal mostly below 800 K. This annealing behavior is considered to be due to recombination of point defects. The buildup of helium and deuterium in graphite is different. The trapping of deuterium proceeds until saturation is reached, while in the case of helium trapping is interrupted by flaking. In diamond, deuterium as well as helium are trapped almost completely until at higher fluences reemission starts and saturation is reached. Two desorption mechanisms were identified for the thermal desorption of helium from base-oriented graphite. Helium implanted at low fluences desorbs diffusing to the surface, while for the implantation of high fluences the release of helium due to blistering dominates. The desorption of deuterium from graphite and diamond shows differences. While in graphite the desorption starts already at 800 K, in diamond up to 1140 K only little desorption can be observed. These differences can be explained by the different transport

Structural transformations in austenitic stainless steel induced by deuterium implantation: irradiation at 100 K.

Science.gov (United States)

Morozov, Oleksandr; Zhurba, Volodymyr; Neklyudov, Ivan; Mats, Oleksandr; Rud, Aleksandr; Chernyak, Nikolay; Progolaieva, Viktoria

2015-01-01

Deuterium thermal desorption spectra were investigated on the samples of austenitic stainless steel 18Cr10NiTi preimplanted at 100 K with deuterium ions in the dose range from 3 × 10(15) to 5 × 10(18) D/cm(2). The kinetics of structural transformation development in the implantation steel layer was traced from deuterium thermodesorption spectra as a function of implanted deuterium concentration. At saturation of austenitic stainless steel 18Cr10NiTi with deuterium by means of ion implantation, structural-phase changes take place, depending on the dose of implanted deuterium. The maximum attainable concentration of deuterium in steel is C = 1 (at.D/at.met. = 1/1). The increase in the implanted dose of deuterium is accompanied by the increase in the retained deuterium content, and as soon as the deuterium concentration attains C ≈ 0.5 the process of shear martensitic structural transformation in steel takes place. It includes the formation of bands, body-centered cubic (bcc) crystal structure, and the ferromagnetic phase. Upon reaching the deuterium concentration C > 0.5, the presence of these molecules causes shear martensitic structural transformations in the steel, which include the formation of characteristic bands, bcc crystal structure, and the ferromagnetic phase. At C ≥ 0.5, two hydride phases are formed in the steel, the decay temperatures of which are 240 and 275 K. The hydride phases are formed in the bcc structure resulting from the martensitic structural transformation in steel.

Quantitative analysis of deuterium by gas chromatography

International Nuclear Information System (INIS)

Isomura, Shohei; Kaetsu, Hayato

1981-01-01

An analytical method for the determination of deuterium concentration in water and hydrogen gas by gas chromatography is described. HD and D 2 in a hydrogen gas sample were separated from H 2 by a column packed with Molecular Sieve 13X, using extra pure hydrogen gas as carrier. A thermal conductivity detector was used. Concentrations of deuterium were determined by comparison with standard samples. The error inherent to the present method was less a 1% on the basis of the calibration curves obtained with the standard samples. The average time required for the analysis was about 3 minutes. (author)

NMR studies concerning base-base interactions in oligonucleotides

International Nuclear Information System (INIS)

Hoogen, Y.T. van den.

1988-01-01

Two main subjects are treated in the present thesis. The firsst part principally deals with the base-base interactions in single-stranded oligoribonucleotides. The second part presents NMR and model-building studies of DNA and RNA duplexes containing an unpaired base. (author). 242 refs.; 26 figs.; 24 tabs

Differentiating the role of lithium and oxygen in retaining deuterium on lithiated graphite plasma-facing components

Energy Technology Data Exchange (ETDEWEB)

Taylor, C. N. [Fusion Safety Program, Idaho National Laboratory, P.O. Box 1625-7113, Idaho Falls, Idaho 83415 (United States); School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, Indiana 47907 (United States); Allain, J. P. [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, Indiana 47907 (United States); Department of Nuclear, Plasma and Radiological Engineering, University of Illinois at Urbana-Champaign, Illinois 61801 (United States); Luitjohan, K. E. [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, Indiana 47907 (United States); Krstic, P. S. [Institute for Advanced Computational Science, Stony Brook University, New York 11794 (United States); Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States); TheoretiK, Knoxville, Tennessee 379XX (United States); Dadras, J. [Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States); Department of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, California 90095 (United States); Skinner, C. H. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

2014-05-15

Laboratory experiments have been used to investigate the fundamental interactions responsible for deuterium retention in lithiated graphite. Oxygen was found to be present and play a key role in experiments that simulated NSTX lithium conditioning, where the atomic surface concentration can increase to >40% when deuterium retention chemistry is observed. Quantum-classical molecular dynamic simulations elucidated this oxygen-deuterium effect and showed that oxygen retains significantly more deuterium than lithium in a simulated matrix with 20% lithium, 20% oxygen, and 60% carbon. Simulations further show that deuterium retention is even higher when lithium is removed from the matrix. Experiments artificially increased the oxygen content in graphite to ∼16% and then bombarded with deuterium. X-ray photoelectron spectroscopy showed depletion of the oxygen and no enhanced deuterium retention, thus demonstrating that lithium is essential in retaining the oxygen that thereby retains deuterium.

Solid-state NMR studies of nucleic acid components

Czech Academy of Sciences Publication Activity Database

Dračínský, Martin; Hodgkinson, P.

2015-01-01

Roč. 5, č. 16 (2015), s. 12300-12310 ISSN 2046-2069 R&D Projects: GA ČR GA13-24880S Institutional support: RVO:61388963 Keywords : NMR spectroscopy * nucleic acid s * solid-state NMR Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.289, year: 2015 http://pubs.rsc.org/en/content/articlepdf/2015/ra/c4ra14404j

1H-NMR/13C-NMR studies of branched structures in PVC obtained at atmospheric pressure

International Nuclear Information System (INIS)

Braun, D.; Holzer, G.; Hjertberg, T.

1981-01-01

The 1 H-NMR-spectra of raw poly (vinyl cloride) obtained at atmospheric pressure (U-PVC) have revealed the presence of high concentrations of branches. The content of labile chlorine was determined by reaction with phenole in order to estimate the branch points with tertiary chlorine. The branch length of reductively dehalogenated U-PVC by 13 C-NMR analysis have provided evidence for both short chain branches including chloromethyl groups and 2.4-dichloro-n-butyl groups and long chain branching. For a number of U-polymers the total amount of branching ranges from 7.5 to 13.5/1000 C. The 13 C-NMR measurements point to a ratio of methyl/butyl branches of 1:1 and short chains/long chains of 6:1. (orig.)

11B nutation NMR study of powdered borosilicates

International Nuclear Information System (INIS)

Woo, Ae Ja; Yang, Kyung Hwa; Han, Duk Young

1998-01-01

In this work, we applied the 1D 11 B nutation NMR method for the analysis of the local structural environments in powdered borosilicates (SiO 2 -B 2 O 3 ). Spin dynamics during a rf irradiation for spin I=3/2 was analytically calculated with a density matrix formalism. Spectral simulation programs were written in MATLAB on a PC. Two borosilicates prepared by the sol-gel process at different stabilization temperature were used for the 1D 11 B nutation NMR experiment. The 11 B NMR parameters, quadrupole coupling constants (e 2 qQ/h) and asymmetry parameters (η), for each borosilicate were extracted from the nonlinear least-squares fitting. The effects of heat treatments on the local structures of boron sites in borosilicates were discussed

Standards for deuterium analysis requirements of heavy water plants (Preprint No. CA-1)

Energy Technology Data Exchange (ETDEWEB)

Rathi, B N; Gopalakrishnan, V T; Alphonse, K P; Pawar, P L; Sadhukhan, H K [Bhabha Atomic Research Centre, Bombay (India). Heavy Water Div.

1989-04-01

Accurate analysis of deuterium, covering the entire range, is of great importance in production of heavy water. Most of the methods for determination of deuterium in gas or liquid samples require appropriate standards. Since density of pure protium oxide and pure deuterium oxide has been determined very accurately by a large number of workers and density of mixtures of H{sub 2}O and D{sub 2}O follows a linear relation, it is possible to use accurate density determination for measurement of deuterium content. Float method for density measurements was improved further and used for the preparation of primary heavy water standards in high and low deuterium ranges. Heavy water plant laboratories require gas standards (ammonia synthesis gas matrix), in addition to low deuterium water standards, for calibration of mass spectrometers. SLAP (Standard Light Antarctic Precipitation, D/D+H = 89.02+-0.05ppm) and SMOW (Standard Mean Ocean Water, D/D+H =155.76+-0.05ppm) available from IAEA, Vienna, along with water practically free from deuterium, were used as standards to prepare secondary liquid standards. These secondary standards were subsequently reduced and mixed with pure nitrogen to obtain D/D+H standards in syngas matrix. (author). 8 refs., 2 figs.

Monte Carlo calculations of thermodynamic properties of deuterium under high pressures

International Nuclear Information System (INIS)

Levashov, P R; Filinov, V S; BoTan, A; Fortov, V E; Bonitz, M

2008-01-01

Two different numerical approaches have been applied for calculations of shock Hugoniots and compression isentrope of deuterium: direct path integral Monte Carlo and reactive Monte Carlo. The results show good agreement between two methods at intermediate pressure which is an indication of correct accounting of dissociation effects in the direct path integral Monte Carlo method. Experimental data on both shock and quasi-isentropic compression of deuterium are well described by calculations. Thus dissociation of deuterium molecules in these experiments together with interparticle interaction play significant role

Note: Commercial SQUID magnetometer-compatible NMR probe and its application for studying a quantum magnet.

Science.gov (United States)

Vennemann, T; Jeong, M; Yoon, D; Magrez, A; Berger, H; Yang, L; Živković, I; Babkevich, P; Rønnow, H M

2018-04-01

We present a compact nuclear magnetic resonance (NMR) probe which is compatible with a magnet of a commercial superconducting quantum interference device magnetometer and demonstrate its application to the study of a quantum magnet. We employ trimmer chip capacitors to construct an NMR tank circuit for low temperature measurements. Using a magnetic insulator MoOPO 4 with S = 1/2 (Mo 5+ ) as an example, we show that the T-dependence of the circuit is weak enough to allow the ligand-ion NMR study of magnetic systems. Our 31 P NMR results are compatible with previous bulk susceptibility and neutron scattering experiments and furthermore reveal unconventional spin dynamics.

Note: Commercial SQUID magnetometer-compatible NMR probe and its application for studying a quantum magnet

Science.gov (United States)

Vennemann, T.; Jeong, M.; Yoon, D.; Magrez, A.; Berger, H.; Yang, L.; Živković, I.; Babkevich, P.; Rønnow, H. M.

2018-04-01

We present a compact nuclear magnetic resonance (NMR) probe which is compatible with a magnet of a commercial superconducting quantum interference device magnetometer and demonstrate its application to the study of a quantum magnet. We employ trimmer chip capacitors to construct an NMR tank circuit for low temperature measurements. Using a magnetic insulator MoOPO4 with S = 1/2 (Mo5+) as an example, we show that the T-dependence of the circuit is weak enough to allow the ligand-ion NMR study of magnetic systems. Our 31P NMR results are compatible with previous bulk susceptibility and neutron scattering experiments and furthermore reveal unconventional spin dynamics.

Investigation of detached recombining deuterium plasma and carbon chemical erosion in the toroidal divertor simulator NAGDIS-T

International Nuclear Information System (INIS)

Yada, K.; Matsui, N.; Ohno, N.; Kajita, S.; Takamura, S.; Takagi, M.

2009-01-01

Detached deuterium recombining plasma has been generated in the toroidal divertor simulator. The electron temperature (0.1-0.4 eV) and density (∼10 18 m -3 ) in the detached plasmas were evaluated with a spectroscopic method using a series of deuterium Balmer line emission from highly excited levels and the Stark broadening of D(2-12). We have investigated the role of volume plasma recombination through Electron-Ion Recombination (EIR) and Molecular Activated Recombination (MAR) processes. Moreover, the carbon erosion in the detached deuterium plasma has been studied with a weight loss method. It is found that deuterium neutrals generated by EIR process could have strong influence on the carbon chemical erosion.

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

Science.gov (United States)

Cebo, Małgorzata; Kielmas, Martyna; Adamczyk, Justyna; Cebrat, Marek; Szewczuk, Zbigniew; Stefanowicz, Piotr

2014-12-01

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

NMR studies of the helical antiferromagnetic compound EuCo2P2

Science.gov (United States)

Higa, N.; Ding, Q.-P.; Kubota, F.; Uehara, H.; Yogi, M.; Furukawa, Y.; Sangeetha, N. S.; Johnston, D. C.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

In EuCo2P2, 4f electron spins of Eu2+ ions order antiferromagnetically below a Néel temperature TN = 66.5 K . The magnetic structure below TN was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo2P2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicate homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. We have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.

Retention and features of deuterium detrapping from radiation-induced damages in steels

International Nuclear Information System (INIS)

Tolstolutskaya, G.D.; Ruzhytskiy, V.V.; Karpov, S.A.; Kopanets, I.E.

2009-01-01

The accelerators and ion-beam analysis techniques are used for simulation of displacement damage and detailed investigation of distribution profiles of damage and impurity gas atoms (especially helium and hydrogen) in the irradiation of targets for a wide ranges of doses and particle energies. The influence of preimplanted helium and heavy ion-induced damage on deuterium trapping in austenitic and ferritic/martensitic steels was studied. The results obtained for 18Cr10NiTi stainless steel show that ion-implanted deuterium is weakly trapped by defects produced in 5 keV D + displacement cascades. The effective trapping temperature interval is between 300 and 600 K. The characteristics of trapping and the temperature range of hydrogen isotopes retention in traps formed by prior implantation of helium depend on the concentration of implanted helium and on the type of defects developed. The formation of helium bubbles in 18Cr10NiTi steel causes an order of magnitude increase in the content of retained deuterium atoms in the range of temperature 300-600 K and extends the interval of effective trapping temperatures to 1000 K. Energetic heavy-ion irradiation (1.4 MeV Ar + ) has been used for modeling defect cluster formation under displacement cascade conditions to simulate fusion reactor environments. It was found that retention of hydrogen and deuterium strongly increased in this case. It is shown that the presence of a surface-passive film considerably shifts the gas release interval to higher temperatures and reduces the deuterium surface recombination coefficient by several orders of magnitude.

Molecular deuterium behaviour in tungsten divertor on JET

Energy Technology Data Exchange (ETDEWEB)

Sergienko, G., E-mail: g.sergienko@fz-juelich.de [Institute of Energy and Climate Research –Plasma Physics, Forschungszentrum Jülich, EURATOM Association, Trilateral Euregio Cluster, D-52425 Jülich (Germany); Arnoux, G. [Euratom-CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Brezinsek, S.; Clever, M.; Huber, A.; Kruezi, U. [Institute of Energy and Climate Research –Plasma Physics, Forschungszentrum Jülich, EURATOM Association, Trilateral Euregio Cluster, D-52425 Jülich (Germany); Meigs, A.G. [Euratom-CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Mertens, Ph.; Samm, U. [Institute of Energy and Climate Research –Plasma Physics, Forschungszentrum Jülich, EURATOM Association, Trilateral Euregio Cluster, D-52425 Jülich (Germany); Stamp, M. [Euratom-CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)

2013-07-15

Molecular spectroscopy was used to observe molecular deuterium at the outer strike point of the new bulk tungsten JET divertor. The rotational and vibrational populations of the deuterium molecules in the ground state were determined from the deuterium Q-branches of Fulcher-α band emission (d{sup 3}Π{sub u}{sup -}→a{sup 3}Σ{sub g}{sup +}) in the 600–640 nm spectral range. For L-mode plasmas in the low recycling regime the molecular emission maximum is located in the vicinity of the strike point. The spatial profile of the emission was strongly modified during plasma detachment in both L- and H-mode plasmas. The rotational temperature of excited molecules reached 2760 K in L-mode. The vibrational population has a peculiarity: a remarkably high population of the d{sup 3}Π{sub u}{sup -}(v = 0) vibrational level indicating a non-Boltzmann vibrational distribution of D{sub 2} in tungsten environment.

TFTR L mode energy confinement related to deuterium influx

International Nuclear Information System (INIS)

Strachan, J.D.

1999-01-01

Tokamak energy confinement scaling in TFTR L mode and supershot regimes is discussed. The main result is that TFTR L mode plasmas fit the supershot scaling law for energy confinement. In both regimes, plasma transport coefficients increased with increased edge deuterium influx. The common L mode confinement scaling law on TFTR is also inversely proportional to the volume of wall material that is heated to a high temperature, possibly the temperature at which the deuterium sorbed in the material becomes detrapped and highly mobile. The deuterium influx is increased by: (a) increased beam power due to a deeper heated depth in the edge components and (b) decreased plasma current due to an increased wetted area as governed by the empirically observed dependence of the SOL width upon plasma current. (author). Letter-to-the-editor

Studies of the surface of titanium dioxide. IV. The hydrogen-deuterium equilibration reaction

International Nuclear Information System (INIS)

Iwaki, T.; Katsuta, K.; Miura, M.

1981-01-01

The interaction of hydrogen with the surface of titanium dioxide has been studied in connection with the hydrogen-reduction mechanism of titanium dioxide, by means of such measurements as weight decrease, magnetic susceptibility, hydrogen uptake, and electrical conductance. It was postulated in the previous study that the rate-determining step of the hydrogen-reduction reaction may be the formation of surface hydroxyl groups, followed by the rapid removal of water molecules from the surface. In this study, the interactions between hydrogen and the surface of titanium dioxide were investigated by measuring the hydrogen-deuterium equilibration reaction, H 2 + D 2 = 2HD, at temperatures above 200 0 C on both surfaces before and after hydrogen reduction to compare the differences in the reactivities

Solid-state NMR of inorganic semiconductors.

Science.gov (United States)

Yesinowski, James P

2012-01-01

Studies of inorganic semiconductors by solid-state NMR vary widely in terms of the nature of the samples investigated, the techniques employed to observe the NMR signal, and the types of information obtained. Compared with the NMR of diamagnetic non-semiconducting substances, important differences often result from the presence of electron or hole carriers that are the hallmark of semiconductors, and whose theoretical interpretation can be involved. This review aims to provide a broad perspective on the topic for the non-expert by providing: (1) a basic introduction to semiconductor physical concepts relevant to NMR, including common crystal structures and the various methods of making samples; (2) discussions of the NMR spin Hamiltonian, details of some of the NMR techniques and strategies used to make measurements and theoretically predict NMR parameters, and examples of how each of the terms in the Hamiltonian has provided useful information in bulk semiconductors; (3) a discussion of the additional considerations needed to interpret the NMR of nanoscale semiconductors, with selected examples. The area of semiconductor NMR is being revitalized by this interest in nanoscale semiconductors, the great improvements in NMR detection sensitivity and resolution that have occurred, and the current interest in optical pumping and spintronics-related studies. Promising directions for future research will be noted throughout.

Contrast-enhanced NMR imaging: animal studies using gadolinium-DTPA complex

International Nuclear Information System (INIS)

Brasch, R.C.; Weinmann, H.J.; Wesbey, G.E.

1984-01-01

Gadolinium (Gd)-DTPA complex was assessed as a nuclear magnetic resonance (NMR) contrast-enhancing agent by experimentally imaging normal and diseased animals. After intravenous injection, Gd-DTPA, a strongly paramagnetic complex by virtue of unpaired electrons, was rapidly excreted into the urine of rats, producing an easily observable contrast enhancement on NMR images in kidney parenchyma and urine. Sterile soft-tissue abscesses demonstrated an obvious rim pattern of enhancement. A focus of radiation-induced brain damage in a canine model was only faintly detectable on spin-echo NMR images before contrast administration; after 0.5 mmol/kg Gd-DTPA administration, the lesion intensity increased from 3867 to 5590. In comparison, the normal brain with an intact blood-brain barrier remained unchanged in NMR characterization. Gd-DTPA is a promising new NMR contrast enhancer for the clinical assessment of renal function, of inflammatory lesions, and of focal disruption of the blood-brain barrier

Moessbauer and NMR study of novel Tin(IV)-lactames

Energy Technology Data Exchange (ETDEWEB)

Kuzmann, Erno; Szalay, Roland; Homonnay, Zoltan, E-mail: homonnay@ludens.elte.hu; Nagy, Sandor [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

2012-03-15

N-tributylstannylated 2-pyrrolidinone was reacted with tributyltin triflate in different molar ratios and the complex formation monitored using {sup 1}H-NMR, {sup 13}C-NMR and {sup 119}Sn Moessbauer spectroscopy. Comparing the carbon NMR and tin Moessbauer results, a reaction scheme is suggested for the complexation which assumes the formation of a simultaneously O- and N-tributylstannylated pyrrolidinone cation. The formation of the only O-stannylated pyrrolidinone is also assumed to account for the non-constant Moessbauer parameters of the two tin environments in the distannylated pyrrolidinone cation when the ratio of tributyltin triflate is increased in the reaction.

Reemission and permeation of deuterium implanted into metals

International Nuclear Information System (INIS)

Tanabe, T.; Furuyama, Y.; Imoto, S.

1984-01-01

Focusing on the marked depression of deuterium permeation rate during the deuteron bombardment, implantation experiments coupled with gaseous permeation experiments are performed on pure Ni and Ni with evaporated MnO. It is concluded that the reemission of implanted deuterium is initially depressed, but it soon becomes enhanced with increase of fluence leading to a rapid decrease of permeation rate at the intermediate temperatures 600-1000 K, which is attributed to the formation of short diffusion paths from the projected range to the front surface. (orig.)

11B NMR study of calcium-hexaborides

International Nuclear Information System (INIS)

Mean, B.J.; Lee, K.H.; Kang, K.H.; Lee, Moohee; Rhee, J.S.; Cho, B.K.

2005-01-01

We have performed 11 B nuclear magnetic resonance (NMR) measurements to look for microscopic evidence of the ferromagnetic state in several CaB 6 single crystals. A number of 11 B NMR resonance peaks are observed with the frequency and intensity of those peaks distinctively changing depending on the angle between the crystalline axis and a magnetic field. Analyzing this behavior, we find that the electric field gradient tensor at the boron has its principal axis perpendicular to the six cubic faces with a quadrupole resonance frequency ν Q ∼600kHz. However, the satellite resonances are found to be made of two peaks. Detailed analysis of the four composite satellite peaks confirms that there are two different boron sites with slightly different ν Q 's. This suggests that the boron octahedron cages are locally distorted. However, this distortion is not directly related to ferromagnetism. Even though the magnetization data highlight the ferromagnetic hysteresis, 11 B NMR linewidth and shift data show no clear microscopic evidence of the ferromagnetic state in several different compositions of CaB 6 single crystals

Deuterium absorption and material phase characteristics of Zr2Fe

International Nuclear Information System (INIS)

Nobile, A.; Mosley, W.C.; Holder, J.S.; Brooks, K.N.

1992-01-01

Scanning electron microscope (SEM) images of polished surfaces, electron probe microanalysis, and X-ray powder diffractometry indicated the presence of a continuous Zr 2 Fe phase with secondary phases of ZrFe 2 , Zr 5 FeSn, α-Zr, and Zr 6 Fe 3 O. A statistically-designed experiment to determine the effects of temperature, time, and vacuum quality On activation of St 198 revealed that when activated at low temperature (350 degrees C) deuterium absorption rate was slower when the vacuum quality was pwr (2.5 Pa vs. 3x10 -4 Pa). However, at higher activation temperature (500 degrees C), deuterium absorption rate was fast and was independent of vacuum quality. Deuterium pressure-composition-temperature (P-C-T) data are reported for St 198 in the temperature range 200--500 degrees C. The P-C-T data over the full range of deuterium loading and at temperatures of 350 degrees C and below is described by: K 0e -(ΔH α /RT)=PD 2 q 2 /(q*-q) 2 where ΔHα and K 0 have values of 101.8 kJ·mole -1 and 3.24x10 -8 Pa -1 , and q* is 15.998 kPa·L -1 ·g -1 . At higher temperatures, one or more secondary reactions in the solid phase occur that slowly consume D 2 from the gas phase. XRD suggests these reactions to be: 2 Zr 2 FeD x → x ZrD 2 + x/3 ZrFe 2 + (2 - 2/3x) Zr 2 Fe and Zr 2 FeD x + (2 -1/2x) D 2 → ZrD 2 + Fe, where 0 < x < 3. Reaction between gas phase deuterium and Zr2FC formed in the first reaction accounts for the observed consumption of deuterium from the gas phase by this reaction

DeUterium industrial production - tome 8

International Nuclear Information System (INIS)

Chagas, T.P.

1987-01-01

Some selected bibliographical references about processes for deuterium industrial production are presented, as follow: isotope exchange H 2 S-H 2 O and NH 3 -H 2 , eletrolysis and distillation. (E.G.) [pt

Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods

Energy Technology Data Exchange (ETDEWEB)

Bingol, Kerem

2018-04-18

Metabolomics has made significant progress in multiple fronts in the last 18 months. This minireview aimed to give an overview of these advancements in the light of their contribution to targeted and untargeted metabolomics. New computational approaches have emerged to overcome manual absolute quantitation step of metabolites in 1D 1H NMR spectra. This provides more consistency between inter-laboratory comparisons. Integration of 2D NMR metabolomics databases under a unified web server allowed very accurate identification of the metabolites that have been catalogued in these databases. For the remaining uncatalogued and unknown metabolites, new cheminformatics approaches have been developed by combining NMR and mass spectrometry. These hybrid NMR/MS approaches accelerated the identification of unknowns in untargeted studies, and now they are allowing to profile ever larger number of metabolites in application studies.

Permeation of deuterium implanted into V-15Cr-5Ti

International Nuclear Information System (INIS)

Anderl, R.A.; Longhurst, G.R.; Struttmann, D.A.

1987-01-01

Permeation and reemission of deuterium for the vanadium alloy, V-15Cr-5Ti, was investigated using 3 keV, D 3 + ion beams from a small accelerator. The experiments consisted of measurement of the deuterium reemission and permeation rates as a function of implantation fluence for 0.5 mm thick specimens heated to temperatures from 623 K to 823 K. Implantation-side surface characterization was made by simultaneous measurements of sputtered ions with a secondary ion mass spectrometer (SIMS). For the experimental conditions used, the steady-state deuterium permeation flux in V-15Cr-5Ti is approximately 18% of the implantation flux. This is approximately 1000 times that seen in the austenitic stainless steel, PCA, and 200 times that seen in the ferritic steel, HT-9, under comparable conditions. Measurement of deuterium diffusivity in V-15Cr-5Ti using permeation break-through times indicates that D = 1.4x10 -8 exp(-0.11 eV/kT)(m 2 /s), over the temperature range 723 K to 823 K. (orig.)

Permeation of deuterium implanted into V-15Cr-5Ti

Science.gov (United States)

Anderl, R. A.; Longhurst, G. R.; Struttmann, D. A.

1987-02-01

Permeation and reemission of deuterium for the vanadium alloy, V-15Cr-5Ti, was investigated using 3 keV, D 3+ ion beams from a small accelerator. The experiments consisted of measurement of the deuterium reemission and permeation rates as a function of implantation fluence for 0.5 mm thick specimens heated to temperatures from 623 K to 823 K. Implantation-side surface characterization was made by simultaneous measurements of sputtered ions with a secondary ion mass spectrometer (SIMS). For the experimental conditions used, the steady-state deuterium permeation flux in V-15Cr-5Ti is approximately 18% of the implantation flux. This is approximately 1000 times that seen in the austenitic stainless steel, PCA, and 200 times that seen in the ferritic steel, HT-9, under comparable conditions. Measurement of deuterium diffusivity in V-15Cr-5Ti using permeation break-through times indicates that D = 1.4 × 10 -8 exp( -0.11 eV/ kT) (m 2/s), over the temperature range 723 K to 823 K.

Permeation of deuterium implanted into V-15Cr-5Ti

Energy Technology Data Exchange (ETDEWEB)

Anderl, R.A.; Longhurst, G.R.; Struttmann, D.A.

1987-02-01

Permeation and reemission of deuterium for the vanadium alloy, V-15Cr-5Ti, was investigated using 3 keV, D/sub 3//sup +/ ion beams from a small accelerator. The experiments consisted of measurement of the deuterium reemission and permeation rates as a function of implantation fluence for 0.5 mm thick specimens heated to temperatures from 623 K to 823 K. Implantation-side surface characterization was made by simultaneous measurements of sputtered ions with a secondary ion mass spectrometer (SIMS). For the experimental conditions used, the steady-state deuterium permeation flux in V-15Cr-5Ti is approximately 18% of the implantation flux. This is approximately 1000 times that seen in the austenitic stainless steel, PCA, and 200 times that seen in the ferritic steel, HT-9, under comparable conditions. Measurement of deuterium diffusivity in V-15Cr-5Ti using permeation break-through times indicates that D = 1.4x10/sup -8/ exp(-0.11 eVkT)(m/sup 2/s), over the temperature range 723 K to 823 K.

Efficient source for the production of ultradense deuterium D(-1) for laser-induced fusion (ICF)

International Nuclear Information System (INIS)

Andersson, Patrik U.; Loenn, Benny; Holmlid, Leif

2011-01-01

A novel source which simplifies the study of ultradense deuterium D(-1) is now described. This means one step further toward deuterium fusion energy production. The source uses internal gas feed and D(-1) can now be studied without time-of-flight spectral overlap from the related dense phase D(1). The main aim here is to understand the material production parameters, and thus a relatively weak laser with focused intensity ≤10 12 W cm -2 is employed for analyzing the D(-1) material. The properties of the D(-1) material at the source are studied as a function of laser focus position outside the emitter, deuterium gas feed, laser pulse repetition frequency and laser power, and temperature of the source. These parameters influence the D(-1) cluster size, the ionization mode, and the laser fragmentation patterns.

Efficient source for the production of ultradense deuterium D(-1) for laser-induced fusion (ICF)

Science.gov (United States)

Andersson, Patrik U.; Lönn, Benny; Holmlid, Leif

2011-01-01

A novel source which simplifies the study of ultradense deuterium D(-1) is now described. This means one step further toward deuterium fusion energy production. The source uses internal gas feed and D(-1) can now be studied without time-of-flight spectral overlap from the related dense phase D(1). The main aim here is to understand the material production parameters, and thus a relatively weak laser with focused intensity ≤1012 W cm-2 is employed for analyzing the D(-1) material. The properties of the D(-1) material at the source are studied as a function of laser focus position outside the emitter, deuterium gas feed, laser pulse repetition frequency and laser power, and temperature of the source. These parameters influence the D(-1) cluster size, the ionization mode, and the laser fragmentation patterns.

A comparison study of PET, NMR, and CT imaging in cerebral ischemia

International Nuclear Information System (INIS)

Babikian, V.L.; Ford, C.S.; Buonanno, F.S.; Kistler, J.P.; Ackerman, R.H.; Alpert, N.M.; Correia, J.A.; Johnson, K.A.; Buxton, R.B.

1987-01-01

Whether ischemia without infarction produces recognizable changes in relaxation times of ischemic but viable brain is an important, unresolved issue. Therefore, a study was initiated of patients with cerebral ischemia, using positron emission tomography (PET), NMR, and computed tomography (CT) to compare and contrast the pathophysiologic information provided by each and to study the issue of whether cerebral ischemia without infarction can be appreciated by proton NMR imaging. Here the initial results are reported. 4 refs.; 2 figs.; 1 table

NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

Energy Technology Data Exchange (ETDEWEB)

Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)

2015-08-15

NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.

Studies on Photodarkening Effect in Glassy As2S3 Using High Field NMR

Science.gov (United States)

Hari, Parameswar; Su, Tining; Taylor, Craig; Reyes, Arneil; Kuhns, Phil; Moulton, William; Sullivan, N. S.

2001-03-01

Photodarkening, or the shift of the optical absorption edge to smaller energies after excitation with light whose energy is near that of the optical band edge, has been studied in many chalcogenide glasses for many years. Recently we have conducted nuclear magnetic resonance (NMR) studies of 75As in glassy As2S3 at 17T . We compared the 75As NMR lineshape in glassy As2S3 before and after irradiation at 77K. After irradiation at 514.5 nm for 230 hours with 170 mW/cm2 there is a subtle change in the NMR lineshape. This change is reversible on annealing at 200 C for 1.75 hours. We will discuss the implications of this result based on NMR lineshape analysis using an exact solution of the spin 3/2 Hamiltonian

Direct Comparison of 19F qNMR and 1H qNMR by Characterizing Atorvastatin Calcium Content

Directory of Open Access Journals (Sweden)

Yang Liu

2016-01-01

Full Text Available Quantitative nuclear magnetic resonance (qNMR is a powerful tool in measuring drug content because of its high speed, sensitivity, and precision. Most of the reports were based on proton qNMR (1H qNMR and only a few fluorine qNMR (19F qNMR were reported. No research has been conducted to directly compare the advantage and disadvantage between these two methods. In the present study, both 19F and 1H qNMR were performed to characterize the content of atorvastatin calcium with the same internal standard. Linearity, precision, and results from two methods were compared. Results showed that 19F qNMR has similar precision and sensitivity to 1H qNMR. Both methods generate similar results compared to mass balance method. Major advantage from 19F qNMR is that the analyte signal is with less or no interference from impurities. 19F qNMR is an excellent approach to quantify fluorine-containing analytes.

Deuterium labeled cannabinoids

International Nuclear Information System (INIS)

Driessen, R.A.

1979-01-01

Complex reactions involving ring opening, ring closure and rearrangements hamper complete understanding of the fragmentation processes in the mass spectrometric fragmentation patterns of cannabinoids. Specifically labelled compounds are very powerful tools for obtaining more insight into fragmentation mechanisms and ion structures and therefore the synthesis of specifically deuterated cannabinoids was undertaken. For this, it was necessary to investigate the preparation of cannabinoids, appropriately functionalized for specific introduction of deuterium atom labels. The results of mass spectrometry with these labelled cannabinoids are described. (Auth.)

Evidence of emission of neutrons from a titanium-deuterium system

International Nuclear Information System (INIS)

Ninno, A. de; Frattolillo, A.; Lollobattista, G.; Martinis, L.; Martone, M.; Mori, L.; Podda, S.; Scaramuzzi, F.

1989-01-01

The interaction of deuterium gas with titanium has produced a flow of neutrons in two experiments reported here. This seems to show that it is not necessary to use electrolysis in order to obtain a low-temperature fusion reaction between deuterium nuclei. The experiment confirms also that nonequilibrium conditions are necessary in order to produce such a phenomenon

Deuterium permeation of amorphous alumina coating on 316L prepared by MOCVD

International Nuclear Information System (INIS)

Li Shuai; He Di; Liu Xiaopeng; Wang Shumao; Jiang Lijun

2012-01-01

Highlights: ► Deuterium permeation behavior of alumina coating by MOCVD is investigated. ► The as-prepared alumina is amorphous. ► The alumina coating is dense and well adherent to substrate. ► Deuterium permeation rate of alumina coating is 2–3 orders of magnitude lower than martensitic steels. - Abstract: The deuterium permeation behavior of the alumina coating on 316L stainless steel prepared by metal organic chemical vapor deposition (MOCVD) was investigated. The alumina coating was also characterized by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and scanning electron microscope (SEM). It was found that the as-prepared coating consisted of amorphous alumina. This alumina coating had a dense, crack-free and homogeneous morphology. Although the alumina coating was amorphous, effective suppression of deuterium permeation was demonstrated. The deuterium permeability of the alumina coating was 51–60 times less than that of the 316L stainless steel and 153–335 times less than that of the referred low activation martensitic steels at 860–960 K.

Process for the production of hydrogen/deuterium-containing gas

International Nuclear Information System (INIS)

Nitschke, E.; Desai, A.; Ilgner, H.

1978-01-01

A process for the production of hydrogen/deuterium-containing gas is described in which the enriched condensate obtained from the production of a hydrogen/deuterium-containing gas mixture is collected and subjected to a direct exchange of isotopes with the feedsteam admitted to the process. Such condensate can be brought into direct exchange of isotopes with the gas water vapor mixture within the process, viz. ahead of the CO conversion section. The exchange of isotopes may be performed according to the counter-current principle. If it is intended to maintain in the hydrogen/deuterium-containing gas a certain definite content of water vapor whose phase condition is superior to the condition achieved when using normal cooling water, this gas, at least 0.6 kg/m 3 of gas, is subjected to an exchange of isotopes with the water fed additionally into the process

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.

Commissioning status of the Continuous Wave Deuterium Demonstrator

International Nuclear Information System (INIS)

Hartog, P.D.; Dooling, J.; Lorello, M.; Rathke, J.; Carwardine, J.; Godden, D.; Pile, G.; Yule, T.; Zinneman, T.

1993-01-01

Grumman Aerospace Corporation, Argonne National Laboratory, and Culham Laboratory are commissioning the Continuous Wave Deuterium Demonstrator (CWDD) in a facility at Argonne National Laboratory. CWDD is a high-brightness, high-current, 7.5-MeV negative deuterium accelerator. The 352-MHz rf accelerating cavities are cryogenically cooled with supercritical neon to reduce the rf power requirements. Installation of the accelerator into the Argonne facility began in May 1991, and first beam from the injector was extracted in February 1992. The accelerator and facility and described, and current status and future plans are discussed

Proton NMR studies of Cucurbita maxima trypsin inhibitors: evidence for pH-dependent conformational change and His25-Tyr27 interaction.

Science.gov (United States)

Krishnamoorthi, R; Lin, C L; Gong, Y X; VanderVelde, D; Hahn, K

1992-01-28

A pH-dependent His25-Tyr27 interaction was demonstrated in the case of Cucurbita maxima trypsin inhibitors (CMTI-I and CMTI-III) by means of nuclear magnetic resonance (NMR) spectroscopy. pH titration, line widths, peak shapes, deuterium exchange kinetics, and two-dimensional nuclear Overhauser effect spectroscopy (NOESY) were employed to characterize a conformational change involving Tyr27, which was shown to be triggered by deprotonation of His25 around pH 6. A hydrogen bond is proposed to be formed between N epsilon of His25 and OH of Tyr27, as a distance between the atoms, His25 N epsilon and Tyr27 OH, of 3.02 A is consistent with a model built with NOE-derived distance constraints. Both the X-ray [Bode, W., Greyling, J.H., Huber, R., Otlewski, J., & Wilusz, T. (1989) FEBS Lett. 242, 282-292] and NMR [Holak, T.A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648] structures of CMTI-I at low pH (4.7-5.3) rule out such an interaction between the two aromatic rings, as the ring planes are oriented about 10 A away from each other. The presently characterized relative orientations of His25 and Tyr27 are of functional significance, as these residues make contact with the enzyme in the enzyme-inhibitor complex. Furthermore, trypsin assay and inhibitor-binding studies showed that conformations of trypsin and the squash inhibitor were functionally relevant only in the pH range 6-8. The pKa of His25 was determined and found to be influenced by Glu9/Lys substitution and by the hydrolysis of the reactive-site peptide bond between Arg5 and Ile6.(ABSTRACT TRUNCATED AT 250 WORDS)

A Field Study of NMR Logging to Quantify Petroleum Contamination in Subsurface Sediments

Science.gov (United States)

Fay, E. L.; Knight, R. J.; Grunewald, E. D.

2016-12-01

Nuclear magnetic resonance (NMR) measurements are directly sensitive to hydrogen-bearing fluids including water and petroleum products. NMR logging tools can be used to detect and quantify petroleum hydrocarbon contamination in the sediments surrounding a well or borehole. An advantage of the NMR method is that data can be collected in both cased and uncased holes. In order to estimate the volume of in-situ hydrocarbon, there must be sufficient contrast between either the relaxation times (T2) or the diffusion coefficients (D) of water and the contaminant. In a field study conducted in Pine Ridge, South Dakota, NMR logging measurements were used to investigate an area of hydrocarbon contamination from leaking underground storage tanks. A contaminant sample recovered from a monitoring well at the site was found to be consistent with a mixture of gasoline and diesel fuel. NMR measurements were collected in two PVC-cased monitoring wells; D and T2 measurements were used together to detect and quantify contaminant in the sediments above and below the water table at both of the wells. While the contrast in D between the fluids was found to be inadequate for fluid typing, the T2 contrast between the contaminant and water in silt enabled the estimation of the water and contaminant volumes. This study shows that NMR logging can be used to detect and quantify in-situ contamination, but also highlights the importance of sediment and contaminant properties that lead to a sufficiently large contrast in T2 or D.

'In vivo' and high resolution spectroscopy in solids by NMR: an instrument for transgenic plants study

International Nuclear Information System (INIS)

Colnago, L.A.; Herrmann, P.S.P.; Bernardes Filho, R.

1995-01-01

This work has developed a study on transgenic plants using two different techniques of nuclear magnetic resonance, in vivo NMR and high resolution NMR. In order to understand the gene mutations and characterize the plants constituents, NMR spectral data were analysed and discussed, then the results were presented

NMR study of structure of lanthanide complexes in solution

International Nuclear Information System (INIS)

Choppin, G.R.

1976-01-01

The diagnostic value PMR studies of diamagnetic lanthanide complexes to define the nature of the species in the lanthanide-pyruvate system is discussed. The use of NMR spectra of both diamagnetic and paramagnetic lanthanide complexes to obtain detailed structural information is reviewed

Process and device for stage by stage enrichment of deuterium and/or tritium in a material suitable for isotope exchange of deuterium and tritium with hydrogen

International Nuclear Information System (INIS)

Iniotakis, N.; Decken, C.B. von der.

1983-01-01

Water containing deuterium and/or tritium is first introduced into a carrier gas flow and reduced for the stage by stage enrichment of deuterium and/or tritium. A hydrogen partial pressure of a maximum of 100 millibar is set in the carrier gas flow. The carrier gas flow is taken along the primary side of an exchange wall suitable for the permeation of hydrogen, and a further carrier gas flow flows on its secondary side, which contains water or hydrogen. Reaction products formed after isotope exchange of deuterium and/or tritium with hydrogen are removed by the secondary carrier gas flow. (orig./HP) [de

Evidence for neutron production in deuterium gas with a pyroelectric crystal without tip

International Nuclear Information System (INIS)

Tornow, W.; Shafroth, S. M.; Brownridge, J. D.

2008-01-01

We present evidence for the production of 2 H(d,n) 3 He neutrons in gaseous deuterium by using a pyroelectric crystal as positive ion accelerator. In contrast to previous studies, neutrons were generated without a tip attached to the crystal and without using a solid deuterated target. The deuterium gas provided both the projectile and target nuclei. On the average, 1 neutron/s was obtained in our ''hot fusion'' experimental setup. No neutrons were detected when a tip was used

1D AND 2D NMR STUDIES OF BENZYL O–VANILLIN

Directory of Open Access Journals (Sweden)

Mohammed Hadi Al–Douh

2010-06-01

Full Text Available The reaction of o-vanillin A with benzyl bromide B2 in acetone as the solvent and K2CO3 as a base in the presence of tetra-n-butylammonium iodide (TBAI as catalyst formed benzyl o-vanillin, C. The complete assignments of C using PROTON, APT, DEPT-135, COSY, NOESY, HMQC and HMBC NMR in both CDCl3 and acetone-d6 are discussed, and the coupling constants J are reported in Hertz (Hz.     Keywords: 1H NMR; 13C NMR; 2D NMR; Benzyl o-Vanillin

Two dimensional solid state NMR

International Nuclear Information System (INIS)

Kentgens, A.P.M.

1987-01-01

This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

Depth concentrations of deuterium ions implanted into some pure metals and alloys

International Nuclear Information System (INIS)

Didyk, A.Yu.; Wisniewski, R.; Kitowski, K.; Wilczynska, T.; Hofman, A.; Kulikauskas, V.; Shiryaev, A.A.; Zubavichyus, Ya.V.

2011-01-01

Pure metals (Cu, Ti, Zr, V, Pd) and diluted Pd alloys (Pd-Ag, Pd-Pt, Pd-Ru, Pd-Rh) were implanted by 25-keV deuterium ions at fluences in the range (1.2-2.3) x 10 22 D + /m 2 . The post-treatment depth distributions of deuterium ions were measured 10 days and three months after the implantation by using Elastic Recoil Detection Analysis (ERDA) and Rutherford Backscattering (RBS). Comparison of the obtained results allowed us to make conclusions about relative stability of deuterium and hydrogen gases in pure metals and diluted Pd alloys. Very high diffusion rates of implanted deuterium ions from V and Pd pure metals and Pd alloys were observed. Small-angle X-ray scattering revealed formation of nanosized defects in implanted corundum and titanium

Structural consequences of the natural substitution, E9K, on reactive-site-hydrolyzed squash (Cucurbita maxima) trypsin inhibitor (CMTI), as studied by two-dimensional NMR.

Science.gov (United States)

Krishnamoorthi, R; Lin, C L; VanderVelde, D

1992-06-02

Sequence-specific hydrogen-1 NMR assignments were made to all of the 29 amino acid residues of reactive-site-hydrolyzed Cucurbita maxima trypsin inhibitor I (CMTI-I*) by the application of two-dimensional NMR (2D NMR) techniques, and its secondary structural elements (two tight turns, a 3(10)-helix, and a triple-stranded beta-sheet) were identified on the basis of short-range NOESY cross peaks and deuterium-exchange kinetics. These secondary structural elements are present in the intact inhibitor [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648] and are unaffected by the hydrolysis of the reactive-site peptide bond between Arg5 and Ile6, in accordance with the earlier conclusion reached for CMTI-III* [Krishnamoorthi, R., Gong, Y.-X., Lin, C. S., & VanderVelde, D. (1992) Biochemistry 31, 898-904]. Chemical shifts of backbone hydrogen atoms, peptide NH's, and C alpha H's, of CMTI-I* were compared with those of the intact inhibitor, CMTI-I, and of the reactive-site-hydrolyzed, natural, E9K variant, CMTI-III*. Cleavage of the Arg5-Ile6 peptide bond resulted in changes of chemical shifts of most of the backbone atoms of CMTI-I, in agreement with the earlier results obtained for CMTI-III. Comparison of chemical shifts of backbone hydrogen atoms of CMTI-I* and CMTI-III* revealed no changes, except for residues Glu9 and His25. However, the intact forms of the same two proteins, CMTI-I and CMTI-III, showed small but significant perturbations of chemical shifts of residues that made up the secondary structural elements of the inhibitors.(ABSTRACT TRUNCATED AT 250 WORDS)

Use of deuterium oxide to measure breast milk intake in children aged 7-12 months receiving complementary foods

International Nuclear Information System (INIS)

Creed-Kanashiro, H.

2000-01-01

In the present study we performed a pilot study using deuterium oxide method to determine the breast-milk intake in children 7-12 months of age receiving complementary food. This is applied to a community efficacy study to determine the effects on total energy and nutrient intake and on breast-milk consumption of an intensive education intervention using locally available, culturally acceptable complementary foods. We determined the washout period for the deuterium finding a value of 21 days for the mother and child. This measurement was performed using the infrared spectrometer of the Instituto de Investigacion Nutricional and compared with the values obtained with the IR Mass Spectrometer of INTA Chile. The test weighing was conduced on 14 children and compared with the values obtained using the deuterium methodology. Our result suggest that the breast milk intake determined by the weighing test was lower with regard to the value obtained with the deuterium methodology. (author)

Use of deuterium oxide to measure breast milk intake in children aged 7-12 months receiving complementary foods

Energy Technology Data Exchange (ETDEWEB)

Creed-Kanashiro, H [Instituto de Investigacion Nutricional, La Molina, Lima (Peru)

2000-07-01

In the present study we performed a pilot study using deuterium oxide method to determine the breast-milk intake in children 7-12 months of age receiving complementary food. This is applied to a community efficacy study to determine the effects on total energy and nutrient intake and on breast-milk consumption of an intensive education intervention using locally available, culturally acceptable complementary foods. We determined the washout period for the deuterium finding a value of 21 days for the mother and child. This measurement was performed using the infrared spectrometer of the Instituto de Investigacion Nutricional and compared with the values obtained with the IR Mass Spectrometer of INTA Chile. The test weighing was conduced on 14 children and compared with the values obtained using the deuterium methodology. Our result suggest that the breast milk intake determined by the weighing test was lower with regard to the value obtained with the deuterium methodology. (author)

Syntheses of α and γ-tocopherols selectively labelled with deuterium

International Nuclear Information System (INIS)

Hughes, L.; Slaby, M.; Burton, G.W.; Ingold, K.U.

1990-01-01

Four deuterium-substituted α-tocopherols (dideutero-RRR, nonadeutero-ambo, nonadeutero-all-rac and undecadeutero-all-rac) and a dideutro-RRR-γ-tocopherol have been synthesized for use in studies of the biokinetics, bioavailability and metabolism of vitamin E. (author)

The production of hadrons in the muon scattering on deuterium and xenon nuclei at 480 GeV

International Nuclear Information System (INIS)

Soeldner-Rembold, S.

1992-10-01

For the present thesis the hadronic final states of 6309 muon-deuterium events and 2064 muon-xenon events in the kinematical range Q 2 >1 (GeV/c) 2 , x>0.002, 0.1 3.5 mrad were studied. The multiplicity distributions of the muon-deuterium events and the muon-xenon events were described by means of the negative binomial distribution in intervals of the c.m. energy W. The two parameters anti n (mean multiplicity) and 1/k show for the muon-deuterium events a linear dependence on ln W 2 . The mean multiplicity anti n on xenon (anti n=10.43±0.19) is distinctly higher than on deuterium (anti n=7.76±0.07). The rapidity distributions of the positively charged and the negatively charged hadrons from muon-deuterium events are very well described by the Monte-Carlo program LUND. In the two-particle rapidity correlation both short-range and long-range correlations can be detected. The two-particle rapidity correlation in the xenon data are different from the deuterium data in the backward range. This difference indicates that the intranuclear cascade takes place in a limited range of small rapidities - relatively independently on the residual fragmentation process. (orig.) [de

Some experiments on cold fusion by deuterium hydrogen gas infusion in titanium metal alloy

International Nuclear Information System (INIS)

Mestnik Filho, J.; Geraldo, L.P.; Pugliese, R.; Saxena, R.N.; Morato, S.P.; Fulfaro, R.

1990-05-01

New results on cold fusion are reported where three different experimental situations have been tried: a) deuterium gas loaded titanium; b) deuterium gas loaded Ti 0.8 Zr 0.2 CrMn alloy and c) titanium and the Ti 0.8 Zr 0.2 CrMn alloy loaded with a mixture of deuterium and hydrogen gases. With these experiments, new thermodynamical non equilibrium conditions were achieved and the possibility of cold fusion between protons and deuterons was also tested. Three independent neutron detectors and one NaI(Tl) were utilized. Despite some large values reported in the literature for the fusion rate, an upper limit of only 8 x 10 -24 fusions/sper deuterium pair or per deuterium-hydrogen pair was determined within the attained accuracy. (author) [pt

A combined NMR and XRD study of AFI and AEL type molecular sieves

NARCIS (Netherlands)

Peeters, M.P.J.; Ven, van de L.J.M.; Haan, de J.W.; Hooff, van J.H.C.

1993-01-01

Calcined dehydrated AlPO4-5 was studied by x-ray powder diffraction, 31P MAS, and 27Al double-resonance (DOR) NMR. Three crystallog. different sites can be distinguished in the structure of dehydrated AlPO4-5 in the ratio 1:1:1. The obsd. splitting of the NMR spectra is correlated to the line width

53Cr NMR study of CuCrO2 multiferroic

Science.gov (United States)

Smol'nikov, A. G.; Ogloblichev, V. V.; Verkhovskii, S. V.; Mikhalev, K. N.; Yakubovskii, A. Yu.; Kumagai, K.; Furukawa, Y.; Sadykov, A. F.; Piskunov, Yu. V.; Gerashchenko, A. P.; Barilo, S. N.; Shiryaev, S. V.

2015-11-01

The magnetically ordered phase of the CuCrO2 single crystal has been studied by the nuclear magnetic resonance (NMR) method on 53Cr nuclei in the absence of an external magnetic field. The 53Cr NMR spectrum is observed in the frequency range νres = 61-66 MHz. The shape of the spectrum depends on the delay tdel between pulses in the pulse sequence τπ/2- t del-τπ- t del-echo. The spin-spin and spin-lattice relaxation times have been measured. Components of the electric field gradient, hyperfine fields, and the magnetic moment on chromium atoms have been estimated.

Two- and three-dimensional proton NMR studies of apo-neocarzinostatin

International Nuclear Information System (INIS)

Xiaolian Gao; Burkhart, W.

1991-01-01

Neocarzinostatin (NCS) is an antitumor protein from Streptomyces carzinostaticus that is identical in apo-protein sequence with mitomalcin (MMC) from Streptomyces malayensis. The authors describe the use of apo-NCS as a model system for applying combined two-and three-dimensional (2D and 3D) proton NMR spectroscopy to the structure determination of proteins without isotope labeling. Strategies aimed at accurately assigning overlapped 2D cross-peaks by using semiautomated combined 2D and 3D data analysis are developed. Using this approach, they have assigned 99% of the protons, including those of the side chains, and identified about 1,270 intra- and interresidue proton-proton interactions (fixed distances are not included) in apo-NCS. Comparing these results with those reported recently on 2D NMR studies of apo-NCS demonstrated advantages of proton 3D NMR spectroscopy in protein spectral assignments. They are able to obtain more complete proton resonance and secondary structural assignments and find several misassignments in the earlier report. Strategies utilized in this work should be useful for developing automation procedures for spectral assignments

NMR studies of stock process water and reaction pathways in hydrothermal carbonization of furfural residue

Directory of Open Access Journals (Sweden)

Fen Yue

2018-04-01

Full Text Available Hydrothermal carbonization (HTC is a valuable approach to convert furfural residue (FR into carbon material. The prepared biochars are usually characterized comprehensively, while the stock process water still remains to be studied in detail. Herein, a NMR study of the main components in stock process water generated at different HTC reaction conditions was reported. Various qualitative and quantitative NMR techniques (1H and 13C NMR, 1H–1H COSY and 1H13C HSQC etc. especially 1D selective gradient total correlation spectroscopy (TOCSY NMR were strategically applied in the analysis of HTC stock process water. Without separation and purification, it was demonstrated that the main detectable compounds are 5-hydroxymethylfurfural, formic acid, methanol, acetic acid, levulinic acid, glycerol, hydroxyacetone and acetaldehyde in this complicate mixture. Furthermore, the relationship between the concentration of major products and the reaction conditions (180–240 °C at 8 h, and 1–24 h at 240 °C was established. Finally, reasonable reaction pathways for hydrothermal conversion of FR were proposed based on this result and our previously obtained characteristics of biochars. The routine and challenging NMR methods utilized here would be an alternative other than HPLC or GC for biomass conversion research and can be extended to more studies. Keywords: NMR, Hydrothermal carbonization, Furfural residue, Stock process water

Double recharge of pions on a deuterium

International Nuclear Information System (INIS)

Nichitiu, F.; Falomkin, I.V.; Shcherbakov, Yu.A.

1987-01-01

Assumptions on the dibaryon nature of the existing narrow resonances below the threshold of the NΔ-state with masses 1935, 1965, 2015 MeV are considered. New proposals on construction of the particle systematics with a new particle (R-particle of mass 1025 MeV, J=1/2, T=3/2) are used to draw a conclusion that double charge exchange is possible on deuterium and helium-3 if dibaryons or new R-particles are born in the final state. Attention is paid to a possible decay of these particles through a weak channel. A search for double charge exchange of pions on hydrogen and deuterium using a laser-illuminated streamer chamber of high pressure is proposed

Impact of opal nanoconfinement on electronic properties of sodium particles: NMR studies

Energy Technology Data Exchange (ETDEWEB)

Charnaya, E.V., E-mail: charnaya@live.com [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); Institute of Physics, St. Petersburg State University, St. Petersburg, 198504 (Russian Federation); Lee, M.K. [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); MoST Instrument Center at NCKU, Tainan, 70101 Taiwan (China); Chang, L.J. [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); Kumzerov, Yu.A.; Fokin, A.V. [A.F. Ioffe Physico-Technical Institute RAS, St. Petersburg, 194021 (Russian Federation); Samoylovich, M.I. [Moscow Institute of Physics and Technology, Moscow, 141700 (Russian Federation); Bugaev, A.S. [CSR Institute of Technology “Technomash”, Moscow, 121108 (Russian Federation)

2015-03-20

The {sup 23}Na Knight shift of NMR line which is highly correlated with the electron spin susceptibility and density of states at the Fermi level was studied for the sodium loaded opal. The measurements were carried out within a temperature range from 100 to 400 K for solid and melted confined sodium nanoparticles. The NMR line below 305 K was a singlet with the Knight shift reduced compared to that in bulk. Above this temperature the NMR line split reproducibly into two components with opposite trends in the Knight shift temperature dependences which evidenced a nanoconfinement-induced transformation and heterogeneity in the electron system. The findings were suggested to be related to changes in the topology of the Fermi surface.

Use of Fourier transformed infrared spectrophotometer (FTIR) for determination of breastmilk output by the deuterium dilution method among Senegalese women

International Nuclear Information System (INIS)

Sarr Cisse, Aita; Diaham, Babou; Dossou, Nicole; Guiro, Amadou Tidiane; Wade, Salimata; Bluck, Leslie

2002-01-01

Breastmilk output can be estimated from the mother's total body water and water turnover rates after oral administration of deuterium oxide. Usually the deuterium enrichments are determined using a isotope ratio mass spectrometer, which is expensive and requires a specialist for operation and maintenance. Such equipment is dfficult to set up in developing countries. A less expensive method was developed which uses a Fourier transform infrared spectrophotometer (FTIR) for deuterium enrichment analysis. This study evaluated the constraints of using FTIR to study lactating women in Senegal. The deuterium isotope method was found to be adequate for free living subjects and presented few constraints except for the duration of the saliva sampling (14 days). The method offers the opportunity to determine simultaneously breastmilk output, mother's body composition, and breastfeeding practices. Deuterium sample enrichments measured with FTIR were fast and easy, but for spectrum quality some environmental control is required to optimize the results. (Authors)

Synergistic Applications of MD and NMR for the Study of Biological Systems

Directory of Open Access Journals (Sweden)

Olivier Fisette

2012-01-01

same time, theoretical and computational approaches gain in reliability and their field of application widens. In this short paper, we discuss recent advances in the areas of solution nuclear magnetic resonance (NMR spectroscopy and molecular dynamics (MD simulations that were made possible by the combination of both methods, that is, through their synergistic use. We present the main NMR observables and parameters that can be computed from simulations, and how they are used in a variety of complementary applications, including dynamics studies, model-free analysis, force field validation, and structural studies.

Commissioning experiment of the polarized internal gas target with deuterium at ANKE/COSY

Energy Technology Data Exchange (ETDEWEB)

Gou, Boxing [Institut fuer Kernphysik, Forschungszentrum Juelich (Germany); Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou (China); Collaboration: ANKE-Collaboration

2012-07-01

In order to conduct the production experiments with polarized deuterium target and (un)polarized proton beam at ANKE/COSY, a commissioning experiment of the polarized internal target with deuterium is imperative. The commissioning experiment includes the measurements of both the vector (Q{sub y}) and tensor (Q{sub yy}) polarization of the deuterium gas target through the nuclear reactions with large and well known analyzing powers, which can be detected in ANKE. The dependence of the polarizations along the storage cell is also determined. The poster presents the physics case for the experiments with deuterium polarized internal target and the apparatus needed for the commissioning experiment, as well as the procedure of extraction for spin observables.

Molecular motion of micellar solutes: a 13C NMR relaxation study

International Nuclear Information System (INIS)

Stark, R.E.; Kasakevich, M.L.; Granger, J.W.

1982-01-01

A series of simple NMR relaxation experiments have been performed on nitrobenzene and aniline dissolved in the ionic detergents sodium dodecyl sulfate (SDS) and hexadecyltrimethylammonium bromide (CTAB). Using 13 C relaxation rates at various molecular sites, and comparing data obtained in organic media with those for micellar solutions, the viscosity at the solubilization site was estimated and a detailed picture of motional restrictions imposed by the micellar enviroment was derived. Viscosities of 8 to 17 cp indicate a rather fluid environment for solubilized nitrobenzene; both additives exhibit altered motional preferences in CTAB solutions only. As an aid in interpretation of the NMR data, quasi-elastic light scattering and other physical techniques have been used to evaluate the influence of organic solutes on micellar size and shape. The NMR methods are examined critically in terms of their general usefulness for studies of solubilization in detergent micelles. 48 references

CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

International Nuclear Information System (INIS)

Skinner, Simon P.; Fogh, Rasmus H.; Boucher, Wayne; Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W.

2016-01-01

NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

Energy Technology Data Exchange (ETDEWEB)

Skinner, Simon P.; Fogh, Rasmus H. [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom); Boucher, Wayne [University of Cambridge, Department of Biochemistry (United Kingdom); Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W., E-mail: gv29@le.ac.uk [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom)

2016-10-15

NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

15N NMR studies of layered nitride superconductor LixZrNCl

International Nuclear Information System (INIS)

Tou, H.; Oshiro, S.; Kotegawa, H.; Taguchi, Y.; Kishiume, Y.; Kasahara, Y.; Iwasa, Y.

2010-01-01

NMR measurements were carried out on pristine ZrNCl and Li x ZrNCl. From the 15 N-Knight shift study, the isotropic Knight shift, the traceless chemical (orbital) shift tensor and the traceless Knight shift tensor were determined as K iso = -71 ppm, (σ 1 , σ 2 , σ 3 ) = (-55, -55, 110) ppm and (K 1 , K 2 , K 3 ) = (48, 48, -96) ppm, respectively. In the superconducting state, the fractional change of the 15 N NMR shift for H-parallel ab was observed, evidencing that the pairing symmetry is a spin-singlet state.

Extraction of deuterium from D-rich process condensate of ammonia plants

Energy Technology Data Exchange (ETDEWEB)

Haldar, T K; Kumar, Manoj; Ramamurty, C B [Heavy Water Board, Department of Atomic Energy, Mumbai (India)

1994-06-01

Heavy water plants based on ammonia-hydrogen exchange process receives feed synthesis gas from the adjacent fertilizer plants. The production capacity of such heavy water plants is directly proportional to the deuterium-content in feed synthesis gas. The chemical process involved in gas generation section of the fertilizer plant includes catalytic steam-reforming of natural gas/naphtha/fuel oil followed by shift conversion, alternatively coal classification followed by shift conversion. Effective extraction of deuterium from the deuterium-rich process condensate can boost the production capacity of heavy water plants considerably. This paper discusses various possible methods to achieve this objective. (author). 5 refs., 1 fig., 1 tab.

Preparation and analysis of deuterium-labeled aspirin: application to pharmacokinetic studies

International Nuclear Information System (INIS)

Pedersen, A.K.; FitzGerald, G.A.

1985-01-01

Inhibition of endogenous prostacyclin and thromboxane biosynthesis by aspirin is critically dose-dependent in humans. Gastrointestinal and hepatic hydrolysis may limit systemic availability of aspirin, especially in low doses, perhaps contributing to the biochemical selectivity of aspirin. Existing analytical methods do not permit determination of systemic bioavailability when low (less than 100 mg) doses of aspirin are administered. Deuterium-labeled aspirin (2-acetoxy[3,4,5,6- 2 H4]benzoic acid) was synthesized from salicylic acid by catalytic exchange and subsequent acetylation. Analysis of the compounds as benzyl esters by GC-MS followed extractive alkylation from plasma. Heptadeuterated compounds were used as internal standards. Simultaneous administration of tetradeuterated aspirin intravenously with native aspirin orally to anesthetized dogs permitted kinetic studies of both aspirin and salicylic acid. The sensitivity of the method is superior to published methods using HPLC and, thus, more applicable to studies of low dose aspirin. Pulse administration of stable isotope-labeled aspirin permits detailed and repeated studies of dose-related aspirin pharmacokinetics in humans

An NMR Protonation Study of Metal Diethylenetriaminepentaacetic Acid Complexes.

Science.gov (United States)

Letkeman, Peter

1979-01-01

This experiment is suitable for an integrated laboratory course for senior chemistry majors. It introduces the student to a study of the relative basicity of different proton accepting sites. It serves as an opportunity to learn about nmr techniques and could extend to infrared, as well. (BB)

Deuterium migration and trapping in uranium and uranium dioxide during D+ implantation

International Nuclear Information System (INIS)

Lewis, M.B.

1980-01-01

Uranium and UO 2 have been implanted with deuterium ions in the energy range 30-85 keV. Subsequently, the near surface regions (100-90000 Angstroem) of these samples were quantitatively profiled for deuterium oxygen using the method of ion beam microanalysis. Mean ranges and widths of the implanted ions were measured and compared with theoretical predictions. Fully oxidized samples were compared with those having only thin oxide films on their surfaces. While the deuterium appeared to migrate during its implantation in uranium, little or no migration appeared either during or after implantation in UO 2 . Further measurements suggest that thin surface oxide films strongly trap the deuterium migrating beneath the surface. It is suggested that the electronic energy loss of the ion beam lowers the effective activation energy for the formation of OD bonds near the target surface. (orig.)

Structural studies of SpoIIAA using NMR

International Nuclear Information System (INIS)

Comfort, D.M.

1998-01-01

The protein SpoIIAA participates, via phosphorylation and dephosphorylation, in the four-component system that regulates the sporulation sigma factor e. Differential gene expression depends on specialised transcription factors called sigma factors, which direct the RNA polymerase to transcribe specific genes in one or other of the two chambers at various stages of sporulation. The first sporulation-specific sigma factor to be activated is 4 transcription that depends on σ F is essential for the remaining sigma factors to become active in turn. Early in sporulation SpoIIAA is in the phosphorylated state (SpoIIAA-P), as a result of the activity of the ATP-dependent protein kinase, SpoIIAB. About 80 minutes after the initiation of sporulation a specific phosphatase, SpoIIE, begins to hydrolyse SpoIIAA-P, and the resulting SpoIIAA again becomes a substrate for SpoIIAB. SpoIIAB is also an anti-sigma factor which in its free form inhibits a F by binding to it. Competition by SpoIIAA (the anti-anti-sigma factor) for binding to SpoIIAB releases e activity. The three-dimensional structure of SpoIIAA has been determined using high resolution NMR. SpoIIAA has a novel fold, composed of a-helices and P-strand elements. The structural differences between SpoIIAA and its inactive form, SpoIIAA-P, were also investigated by NMR. Tentative evidence points to the observation that phosphorylation of SpoIIAA results in a minor conformational change near the site of phosphorylation, which interferes with the hydrophobic interaction between SpoIIAA and SpoIIAB. Further NMR studies helped to predict the location of SpoIIAA-, GTP-, and ATP-binding sites on the SpoIIAA structure. In addition, the automated iterative NOE assignment algorithm, ARIA, was used to obtain additional NOE-based distance constraints and to calculate a refined structure. (author)

Structural studies of SpoIIAA using NMR

Energy Technology Data Exchange (ETDEWEB)

Comfort, D.M

1998-07-01

The protein SpoIIAA participates, via phosphorylation and dephosphorylation, in the four-component system that regulates the sporulation sigma factor e. Differential gene expression depends on specialised transcription factors called sigma factors, which direct the RNA polymerase to transcribe specific genes in one or other of the two chambers at various stages of sporulation. The first sporulation-specific sigma factor to be activated is 4 transcription that depends on {sigma}{sup F} is essential for the remaining sigma factors to become active in turn. Early in sporulation SpoIIAA is in the phosphorylated state (SpoIIAA-P), as a result of the activity of the ATP-dependent protein kinase, SpoIIAB. About 80 minutes after the initiation of sporulation a specific phosphatase, SpoIIE, begins to hydrolyse SpoIIAA-P, and the resulting SpoIIAA again becomes a substrate for SpoIIAB. SpoIIAB is also an anti-sigma factor which in its free form inhibits a F by binding to it. Competition by SpoIIAA (the anti-anti-sigma factor) for binding to SpoIIAB releases e activity. The three-dimensional structure of SpoIIAA has been determined using high resolution NMR. SpoIIAA has a novel fold, composed of a-helices and P-strand elements. The structural differences between SpoIIAA and its inactive form, SpoIIAA-P, were also investigated by NMR. Tentative evidence points to the observation that phosphorylation of SpoIIAA results in a minor conformational change near the site of phosphorylation, which interferes with the hydrophobic interaction between SpoIIAA and SpoIIAB. Further NMR studies helped to predict the location of SpoIIAA-, GTP-, and ATP-binding sites on the SpoIIAA structure. In addition, the automated iterative NOE assignment algorithm, ARIA, was used to obtain additional NOE-based distance constraints and to calculate a refined structure. (author)

NMR study of hyper-polarized 129Xe and applications to liquid-phase NMR experiments

International Nuclear Information System (INIS)

Marion, D.

2008-07-01

In liquid samples where both nuclear polarization and spin density are strong, the magnetization dynamics, which can be analysed by NMR (nuclear magnetic resonance) methods, is deeply influenced by the internal couplings induced by local dipolar fields. The present thesis describes some of the many consequences associated to the presence in the sample of concentrated xenon hyper-polarized by an optical pumping process. First, we deal with the induced modifications in frequency and line width of the proton and xenon spectra, then we present the results of SPIDER, a coherent polarization transfer experiment designed to enhance the polarization of protons, in order to increase their NMR signal level. A third part is dedicated to the description of the apparition of repeated chaotic maser emissions by un unstable xenon magnetization coupled to the detection coil tuned at the xenon Larmor frequency (here 138 MHz). In the last part, we present a new method allowing a better tuning of any NMR detection probe and resulting in sensible gains in terms of sensitivity and signal shaping. Finally, we conclude with a partial questioning of the classical relaxation theory in the specific field of highly polarized and concentrated spin systems in a liquid phase. (author)

Contribution to the study of catalytic hydrogen-deuterium exchange between hydrogen and hydrocarbons; Contribution a l'etude de l'echange catalytique hydrogene-deuterium entre l'hydrogene et les hydrocarbures

Energy Technology Data Exchange (ETDEWEB)

Ravoire, J

1958-12-20

The hydrogen-deuterium exchange between molecular hydrogen and hydrocarbons over a platinum and charcoal catalyst was studied in a static system. The change in isotopic composition of molecular hydrogen was followed by a thermal conductivity method. Cyclo-pentane and cyclohexane were chosen because of their stability. A reversible inactivation of the catalyst was observed with both hydrocarbons. The reasons for this inactivation are unknown but it was shown that reactivation led to satisfactory reproducibility. A kinetic study was done with cyclohexane in the range 30 to 160 deg. C, and 40 to 360 mm for the pressure of hydrogen, and 10 to 70 mm for the pressure of cyclohexane. The order of the reaction with respect to cyclohexane pressure is always close to zero; the order with respect to that of hydrogen is 0.5 above 100 deg. C. It decreases with increasing temperature and becomes negative (-0.5 at 30 deg. C), characterizing an inhibition by hydrogen. At the same time, the apparent activation energy goes from 6 to 13 kcal/mole. (author) [French] L'echange hydrogene-deuterium entre l'hydrogene moleculaire et les hydrocarbures sur un catalyseur au platine depose sur charbon a ete etudie a l'aide d'un appareil statique. La teneur en deuterium de L'hydrogene moleculaire a ete suivie par conductibilite thermique. Le cyclopentane et le cyclohexane ont ete choisis en raison de leur stabilite. Une desactivation reversible du catalyseur pendant son utilisation a ete observee pour les deux hydrocarbures. Les causes de la desactivation n'ont pas ete determinees, mais il a ete montre qu'une reactivation conduisait une reproductibilite satisfaisante. Une etude cinetique a ete conduite avec le cyclohexane dans le domaine: 30 deg C - 160 deg C, 40 mm - 360 mm comme pression d'hydrogene, 10 mm - 70 mm comme pression de cyclohexane. L'ordre par rapport a la pression de cyclohexane est toujours voisin de zero; l'ordre par rapport a la pression d'hydrogene est de 0,5 au-dessus de

Photodisintegration of deuterium

International Nuclear Information System (INIS)

Hara, K.Y.; Utsunomiya, H.; Goko, S.

2004-01-01

Photodisintegration cross sections were measured for deuterium with Laser Compton scattering γ beams at E γ = 2.3 - 4.6 MeV. The present data made it possible to experimentally evaluate R(E) = N a συ for the p(n, γ)D reaction with 6% uncertainty in the energy region to big bang nucleosynthesis (BBN). The result confirms the past theoretical evaluation and the recent calculation based on the effective field theory. The reaction rate for the p(n, γ)D reaction is presented for the BBN in the precision era. (author)

Deuterium dilution technique for body composition assessment: resolving methodological issues in children with moderate acute malnutrition.

Science.gov (United States)

Fabiansen, Christian; Yaméogo, Charles W; Devi, Sarita; Friis, Henrik; Kurpad, Anura; Wells, Jonathan C

2017-08-01

Childhood malnutrition is highly prevalent and associated with high mortality risk. In observational and interventional studies among malnourished children, body composition is increasingly recognised as a key outcome. The deuterium dilution technique has generated high-quality data on body composition in studies of infants and young children in several settings, but its feasibility and accuracy in children suffering from moderate acute malnutrition requires further study. Prior to a large nutritional intervention trial among children with moderate acute malnutrition, we conducted pilot work to develop and adapt the deuterium dilution technique. We refined procedures for administration of isotope doses and collection of saliva. Furthermore, we established that equilibration time in local context is 3 h. These findings and the resulting standard operating procedures are important to improve data quality when using the deuterium dilution technique in malnutrition studies in field conditions, and may encourage a wider use of isotope techniques.

Optical pumping and xenon NMR

International Nuclear Information System (INIS)

Raftery, M.D.

1991-11-01

Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping 129 Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the 131 Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen

Deuterium pellet injector gun design

International Nuclear Information System (INIS)

Lunsford, R.V.; Wysor, R.B.; Bryan, W.E.; Shipley, W.D.; Combs, S.K.; Foust, C.R.; Milora, S.L.; Fisher, P.W.

1985-01-01

The Deuterium Pellet Injector (DPI), an eight-pellet pneumatic injector, is being designed and fabricated for the Tokamak Fusion Test Reactor (TFTR). It will accelerate eight pellets, 4 by 4 mm maximum, to greater than 1500 m/s. It utilizes a unique pellet-forming mechanism, a cooled pellet storage wheel, and improved propellant gas scavenging

NMR spectroscopic studies of membrane-bound biological systems

International Nuclear Information System (INIS)

Hohlweg, W.

2013-01-01

In the course of this thesis, biological NMR spectroscopy was employed in studying membrane-bound peptides and proteins, for which structural information is still comparatively hard to obtain. Initial work focused on various model peptides bound to membrane-mimicking micelles, studying the protonation state of arginine in a membrane environment. Strong evidence for a cation-π complex was found in TM7, a peptide which forms the seventh transmembrane helix of subunit a of the vacuolar-type H+-ATPase (V-ATPase). V-ATPase is a physiologically highly relevant proton pump, which is present in intracellular membranes of all eukaryotic organisms, as well as the plasma membrane of several specialized cells. Loss of functional V-ATPase is associated with human diseases such as osteopetrosis, distal renal tubular acidosis or the spreading of cancer. V-ATPase is considered a potential drug target in the treatment of osteoporosis and cancer, or in the development of novel contraceptives. Results from NMR solution structure determination, NMR titration experiments, paramagnetic relaxation enhancement experiments and tryptophan fluorescence spectroscopy confirm the existence of a buried cation-? complex formed between arginine residue R735, which is essential for proton transport, and neighbouring tryptophan and tyrosine residues. In vivo experiments in the yeast Saccharomyces cerevisiae using selective growth tests and fluorescence microscopy showed that formation of the cation-π complex is essential for V-ATPase function. Deletion of both aromatic residues, as well as only the one tryptophan residue leads to growth defects and inability to maintain vacuolar pH homeostasis. These findings shine new light on the still elusive mechanism of proton transport in V-ATPase, and show that arginine R735 may be directly involved in proton transfer across the membrane. (author) [de

Studies of metal-biomolecule systems in liquids with beta-detected NMR

CERN Document Server

Walczak, Michal

2017-01-01

My internship took place within a small research team funded via the European Research Council (ERC Starting Grant: Beta-Drop NMR) at ISOLDE. It was devoted to laser spin-polarization and beta-detected NMR techniques and their future applications in chemistry and biology. I was involved in the design and tests of the beta-NMR spectrometer which will be used in the upcoming experiments. In this way I have been exposed to many topics in physics (atomic and nuclear physics), experimental techniques (vacuum technology, lasers, beta detectors, electronics, DAQ software), as well as chemistry and biology (NMR on metal ions, metal ion binding to biomolecules, quantum chemistry calculations).

1H-NMR, 1H-NMR T2-edited, and 2D-NMR in bipolar disorder metabolic profiling.

Science.gov (United States)

Sethi, Sumit; Pedrini, Mariana; Rizzo, Lucas B; Zeni-Graiff, Maiara; Mas, Caroline Dal; Cassinelli, Ana Cláudia; Noto, Mariane N; Asevedo, Elson; Cordeiro, Quirino; Pontes, João G M; Brasil, Antonio J M; Lacerda, Acioly; Hayashi, Mirian A F; Poppi, Ronei; Tasic, Ljubica; Brietzke, Elisa

2017-12-01

The objective of this study was to identify molecular alterations in the human blood serum related to bipolar disorder, using nuclear magnetic resonance (NMR) spectroscopy and chemometrics. Metabolomic profiling, employing 1 H-NMR, 1 H-NMR T 2 -edited, and 2D-NMR spectroscopy and chemometrics of human blood serum samples from patients with bipolar disorder (n = 26) compared with healthy volunteers (n = 50) was performed. The investigated groups presented distinct metabolic profiles, in which the main differential metabolites found in the serum sample of bipolar disorder patients compared with those from controls were lipids, lipid metabolism-related molecules (choline, myo-inositol), and some amino acids (N-acetyl-L-phenyl alanine, N-acetyl-L-aspartyl-L-glutamic acid, L-glutamine). In addition, amygdalin, α-ketoglutaric acid, and lipoamide, among other compounds, were also present or were significantly altered in the serum of bipolar disorder patients. The data presented herein suggest that some of these metabolites differentially distributed between the groups studied may be directly related to the bipolar disorder pathophysiology. The strategy employed here showed significant potential for exploring pathophysiological features and molecular pathways involved in bipolar disorder. Thus, our findings may contribute to pave the way for future studies aiming at identifying important potential biomarkers for bipolar disorder diagnosis or progression follow-up.

Selective deuterium ion acceleration using the Vulcan petawatt laser

Energy Technology Data Exchange (ETDEWEB)

Krygier, A. G. [Laboratoire pour l' Utilisation des Lasers Intenses, École Polytechnique, 91128 Palasiseau (France); Physics Department, The Ohio State University, Columbus, Ohio 43210 (United States); Morrison, J. T. [Propulsion Systems Directorate, Air Force Research Lab, Wright Patterson Air Force Base, Ohio 45433 (United States); Kar, S., E-mail: s.kar@qub.ac.uk; Ahmed, H.; Alejo, A.; Green, A.; Jung, D. [Centre for Plasma Physics, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Clarke, R.; Notley, M. [Central Laser Facility, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX (United Kingdom); Fuchs, J.; Vassura, L. [Laboratoire pour l' Utilisation des Lasers Intenses, École Polytechnique, 91128 Palasiseau (France); Kleinschmidt, A.; Roth, M. [Institut für Kernphysik, Technische Universität Darmstadt, Schloßgartenstrasse 9, D-64289 Darmstadt (Germany); Najmudin, Z.; Nakamura, H. [The John Adams Institute, Blackett Laboratory, Department of Physics, Imperial College, London SW7 2AZ (United Kingdom); Norreys, P. [Central Laser Facility, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX (United Kingdom); Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom); Oliver, M. [Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom); Zepf, M. [Centre for Plasma Physics, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Helmholtz Institute Jena, D-07743 Jena (Germany); Borghesi, M. [Centre for Plasma Physics, School of Mathematics and Physics, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Institute of Physics of the ASCR, ELI-Beamlines Project, Na Slovance 2, 18221 Prague (Czech Republic); Freeman, R. R. [Physics Department, The Ohio State University, Columbus, Ohio 43210 (United States)

2015-05-15

We report on the successful demonstration of selective acceleration of deuterium ions by target-normal sheath acceleration (TNSA) with a high-energy petawatt laser. TNSA typically produces a multi-species ion beam that originates from the intrinsic hydrocarbon and water vapor contaminants on the target surface. Using the method first developed by Morrison et al. [Phys. Plasmas 19, 030707 (2012)], an ion beam with >99% deuterium ions and peak energy 14 MeV/nucleon is produced with a 200 J, 700 fs, >10{sup 20}W/cm{sup 2} laser pulse by cryogenically freezing heavy water (D{sub 2}O) vapor onto the rear surface of the target prior to the shot. Within the range of our detectors (0°–8.5°), we find laser-to-deuterium-ion energy conversion efficiency of 4.3% above 0.7 MeV/nucleon while a conservative estimate of the total beam gives a conversion efficiency of 9.4%.

Selective deuterium ion acceleration using the Vulcan petawatt laser

International Nuclear Information System (INIS)

Krygier, A. G.; Morrison, J. T.; Kar, S.; Ahmed, H.; Alejo, A.; Green, A.; Jung, D.; Clarke, R.; Notley, M.; Fuchs, J.; Vassura, L.; Kleinschmidt, A.; Roth, M.; Najmudin, Z.; Nakamura, H.; Norreys, P.; Oliver, M.; Zepf, M.; Borghesi, M.; Freeman, R. R.

2015-01-01

We report on the successful demonstration of selective acceleration of deuterium ions by target-normal sheath acceleration (TNSA) with a high-energy petawatt laser. TNSA typically produces a multi-species ion beam that originates from the intrinsic hydrocarbon and water vapor contaminants on the target surface. Using the method first developed by Morrison et al. [Phys. Plasmas 19, 030707 (2012)], an ion beam with >99% deuterium ions and peak energy 14 MeV/nucleon is produced with a 200 J, 700 fs, >10 20 W/cm 2 laser pulse by cryogenically freezing heavy water (D 2 O) vapor onto the rear surface of the target prior to the shot. Within the range of our detectors (0°–8.5°), we find laser-to-deuterium-ion energy conversion efficiency of 4.3% above 0.7 MeV/nucleon while a conservative estimate of the total beam gives a conversion efficiency of 9.4%

Selective deuterium ion acceleration using the Vulcan petawatt laser

Science.gov (United States)

Krygier, A. G.; Morrison, J. T.; Kar, S.; Ahmed, H.; Alejo, A.; Clarke, R.; Fuchs, J.; Green, A.; Jung, D.; Kleinschmidt, A.; Najmudin, Z.; Nakamura, H.; Norreys, P.; Notley, M.; Oliver, M.; Roth, M.; Vassura, L.; Zepf, M.; Borghesi, M.; Freeman, R. R.

2015-05-01

We report on the successful demonstration of selective acceleration of deuterium ions by target-normal sheath acceleration (TNSA) with a high-energy petawatt laser. TNSA typically produces a multi-species ion beam that originates from the intrinsic hydrocarbon and water vapor contaminants on the target surface. Using the method first developed by Morrison et al. [Phys. Plasmas 19, 030707 (2012)], an ion beam with >99% deuterium ions and peak energy 14 MeV/nucleon is produced with a 200 J, 700 fs, > 10 20 W / cm 2 laser pulse by cryogenically freezing heavy water (D2O) vapor onto the rear surface of the target prior to the shot. Within the range of our detectors (0°-8.5°), we find laser-to-deuterium-ion energy conversion efficiency of 4.3% above 0.7 MeV/nucleon while a conservative estimate of the total beam gives a conversion efficiency of 9.4%.

Positron annihilation and 129Xe NMR studies of free volume in polymers

International Nuclear Information System (INIS)

Nagasaka, Bunsow; Eguchi, Taro; Nakayama, Hirokazu; Nakamura, Nobuo; Ito, Yasuo

2000-01-01

The existence and the average size of free volume in bisphenol-A polycarbonate (PC), low-density polyethylene (LDPE), poly (2,6-dimethyl-phenylene oxide)(PPO), and polytetrafluoroethylene (PTFE) were studied by positron annihilation and 129 Xe NMR measurements. The 129 Xe NMR chemical shifts for xenon adsorbed in the polymers indicated that the average pore size of the free volume increased in the following order: PC, LDPE, PPO, and PTFE. This order of the pore size of the free volume agrees well with that estimated from the longest lifetime (τ 3 ) of ortho-positronium formed in the polymers. The unique correlation that δ -1 ∝ r is established between the 129 Xe NMR chemical shift (δ) and the pore size (r), which is deduced from the positron annihilation measurements.

NMR-based milk metabolomics