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Sample records for spinning sup13c nuclear

  1. Cross polarization, magic-angle spinning /sup 13/C nuclear magnetic resonance spectroscopy of soil humic fractions

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    Saiz-Jimenez, C.; Hawkins, B.L.; Maciel, G.E.

    1986-01-01

    Cross polarization, magic-angle spinning /sup 13/C nuclear magnetic resonance spectroscopy was used to characterize humic fractions isolated from different soils. The humic acid fractions are more aromatic than the humin fractions, probably due to the higher polysaccharide content of humins. However, fulvic acid fractions are more aromatic than the corresponding humic acid and humin fractions. These results can be interpreted in terms of the isolation procedure, because the high affinity of Polyclar AT for phenols results in higher aromaticities as compared with other isolation methods (e.g. charcoal).

  2. Cross-Polarized Magic-Angle Spinning (sup13)C Nuclear Magnetic Resonance Spectroscopic Characterization of Soil Organic Matter Relative to Culturable Bacterial Species Composition and Sustained Biological Control of Pythium Root Rot.

    Science.gov (United States)

    Boehm, M J; Wu, T; Stone, A G; Kraakman, B; Iannotti, D A; Wilson, G E; Madden, L V; Hoitink, H

    1997-01-01

    We report the use of a model system that examines the dynamics of biological energy availability in organic matter in a sphagnum peat potting mix critical to sustenance of microorganism-mediated biological control of pythium root rot, a soilborne plant disease caused by Pythium ultimum. The concentration of readily degradable carbohydrate in the peat, mostly present as cellulose, was characterized by cross-polarized magic-angle spinning (sup13)C nuclear magnetic resonance spectroscopy. A decrease in the carbohydrate concentration in the mix was observed during the initial 10 weeks after potting as the rate of hydrolysis of fluorescein diacetate declined below a critical threshold level required for biological control of pythium root rot. Throughout this period, total microbial biomass and activity, based on rates of [(sup14)C]acetate incorporation into phospholipids, did not change but shifts in culturable bacterial species composition occurred. Species capable of inducing biocontrol were succeeded by pleomorphic gram-positive genera and putative oligotrophs not or less effective in control. We conclude that sustained efficacy of naturally occurring biocontrol agents was limited by energy availability to this microflora within the organic matter contained in the potting mix. We propose that this critical role of organic matter may be a key factor explaining the variability in efficacy typically encountered in the control of pythium root rot with biocontrol agents.

  3. Conditions to obtain precise and true measurements of the intramolecular {sup 13}C distribution in organic molecules by isotopic {sup 13}C nuclear magnetic resonance spectrometry

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    Bayle, Kevin [EBSI Team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 Rue de la Houssinière, BP 92208, F-44322, Nantes Cedex 3 (France); Gilbert, Alexis [Department of Environmental Chemistry and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Earth–Life Science Institute, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Julien, Maxime [EBSI Team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 Rue de la Houssinière, BP 92208, F-44322, Nantes Cedex 3 (France); Yamada, Keita [Department of Environmental Chemistry and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Silvestre, Virginie; Robins, Richard J.; Akoka, Serge [EBSI Team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 Rue de la Houssinière, BP 92208, F-44322, Nantes Cedex 3 (France); Yoshida, Naohiro [Department of Environmental Chemistry and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Earth–Life Science Institute, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Remaud, Gérald S., E-mail: gerald.remaud@univ-nantes.fr [EBSI Team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 Rue de la Houssinière, BP 92208, F-44322, Nantes Cedex 3 (France)

    2014-10-10

    Highlights: • Evaluation of the trueness and precision criteria of isotopic {sup 13}C NMR spectrometry. • Use of bi-labelled [1,2-{sup 13}C{sub 2}]acetic acid to determine the performance of the instrumental response. • Inter-calibration of the {sup 13}C intramolecular composition of acetic acid using the technique GC-Py–irm-MS. - Abstract: Intramolecular {sup 13}C composition gives access to new information on the (bio) synthetic history of a given molecule. Isotopic {sup 13}C NMR spectrometry provides a general tool for measuring the position-specific {sup 13}C content. As an emerging technique, some aspects of its performance are not yet fully delineated. This paper reports on (i) the conditions required to obtain satisfactory trueness and precision for the determination of the internal {sup 13}C distribution, and (ii) an approach to determining the “absolute” position-specific {sup 13}C content. In relation to (i), a precision of <1% can be obtained whatever the molecule on any spectrometer, once quantitative conditions are met, in particular appropriate proton decoupling efficiency. This performance is a prerequisite to the measurement of isotope fractionation either on the transformed or residual compound when a chemical reaction or process is being studied. The study of the trueness has revealed that the response of the spectrometer depends on the {sup 13}C frequency range of the studied molecule, i.e. the chemical shift range. The “absolute value” and, therefore, the trueness of the {sup 13}C NMR measurements has been assessed on acetic acid and by comparison to the results obtained on the fragments from COOH and CH{sub 3} by isotopic mass spectrometry coupled to a pyrolysis device (GC-Py–irm-MS), this technique being the reference method for acetic acid. Of the two NMR spectrometers used in this work, one gave values that corresponded to those obtained by GC-Py–irm-MS (thus, the “true” value) while the other showed a bias, which was

  4. Site-specific {sup 13}C content by quantitative isotopic {sup 13}C Nuclear Magnetic Resonance spectrometry: A pilot inter-laboratory study

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    Chaintreau, Alain; Fieber, Wolfgang; Sommer, Horst [Firmenich SA, Corporate R and D Division, P.O. Box 239, 1211 Geneva 8 (Switzerland); Gilbert, Alexis; Yamada, Keita [Department of Environmental Chemistry and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Yoshida, Naohiro [Department of Environmental Chemistry and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Earth-Life Science Institute, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan); Pagelot, Alain [Bruker Biospin SAS, 34 rue de l‘Industrie, 67166 Wissembourg Cedex (France); Moskau, Detlef; Moreno, Aitor [Bruker Biospin AG, Industriestrasse 26, 8117 Fällanden (Switzerland); Schleucher, Jürgen [Department of Medical Biochemistry and Biophysics, Umeå University, S-90187 Umeå (Sweden); Reniero, Fabiano; Holland, Margaret; Guillou, Claude [European Commission, Joint Research Centre – Institute for Health and Consumer Protection, via E. Fermi 2749, I-21027 Ispra (Italy); Silvestre, Virginie; Akoka, Serge [EBSI team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière, BP 92208, F-44322 Nantes cedex 3 (France); Remaud, Gérald S., E-mail: gerald.remaud@univ-nantes.fr [EBSI team, Interdisciplinary Chemistry: Synthesis, Analysis, Modelling (CEISAM), University of Nantes-CNRS UMR 6230, 2 rue de la Houssinière, BP 92208, F-44322 Nantes cedex 3 (France)

    2013-07-25

    Graphical abstract: -- Highlights: •First ring test on isotopic {sup 13}C NMR spectrometry. •Evaluation of the intra- and inter-variability of the NMR spectrometers used. •Definition of a protocol for qualification of the performance of the spectrometer. -- Abstract: Isotopic {sup 13}C NMR spectrometry, which is able to measure intra-molecular {sup 13}C composition, is of emerging demand because of the new information provided by the {sup 13}C site-specific content of a given molecule. A systematic evaluation of instrumental behaviour is of importance to envisage isotopic {sup 13}C NMR as a routine tool. This paper describes the first collaborative study of intra-molecular {sup 13}C composition by NMR. The main goals of the ring test were to establish intra- and inter-variability of the spectrometer response. Eight instruments with different configuration were retained for the exercise on the basis of a qualification test. Reproducibility at the natural abundance of isotopic {sup 13}C NMR was then assessed on vanillin from three different origins associated with specific δ{sup 13}C{sub i} profiles. The standard deviation was, on average, between 0.9 and 1.2‰ for intra-variability. The highest standard deviation for inter-variability was 2.1‰. This is significantly higher than the internal precision but could be considered good in respect of a first ring test on a new analytical method. The standard deviation of δ{sup 13}C{sub i} in vanillin was not homogeneous over the eight carbons, with no trend either for the carbon position or for the configuration of the spectrometer. However, since the repeatability for each instrument was satisfactory, correction factors for each carbon in vanillin could be calculated to harmonize the results.

  5. Nuclear magnetic resonance studies on bacterial dihydrofolate reductase containing (guanidino-/sup 13/C)arginine. [Streptococcus

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    Cocco, L.; Blakley, R.L.; Walker, T.E.; London, R.E.; Matwiyoff, N.A.

    1978-10-03

    Dihydrofolate reductase labeled with (guanidino-/sup 13/C)arginine has been purified from Streptococcus faecium and /sup 13/C nuclear magnetic resonance spectra of the enzyme and its complexes with various ligands have been recorded. Resonances of the eight residues are resolved into 4 to 6 peaks with chemical shifts over a range of 1.2 ppM. There appear to be two classes of residues: those with chemical shifts very close to that of free (guanidino-/sup 13/C)arginine (class 1); and those with significantly different shifts (class 2). Spin-lattice relaxation times (T/sub 1/), measured in H/sub 2/O, for residues of class 1 are approximately 50% greater than the values for residues of the second class. In D/sub 2/O the T/sub 1/ values for both classes of residues are essentially the same and approximately twice the values obtained in H/sub 2/O for residues of class 1. The temperature-dependent behavior of T/sub 1/ for residues of class 2, together with the small nuclear Overhauser enhancement values, and the difference in line width in H/sub 2/O vs. D/sub 2/O are consistent with the assumption that the internal motion of these residues is slow relative to the overall rotational motion of the protein. An overall rotational correlation time for the protein of 20 ns has been estimated from the data for these immobilized residues. Class 1 residues appear to have a significant degree of internal motion and are probably accessible to solvent, whereas class 2 residues are probably inaccessible.

  6. Nuclear magnetic resonance studies on bacterial dihydrofolate reductase containing (methyl-/sup 13/C)methionine

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    Blakley, R.L.; Cocco, L.; London, R.E.; Walker, T.E.; Matwiyoff, N.A.

    1978-06-13

    (methyl-/sup 13/C)Methionine has been incorporated with high efficiency by Streptococcus faecium var. Durans strain A into dihydrofolate reductase isoenzyme 2. In the /sup 13/C NMR spectrum of the purified enzyme the resonances corresponding to the seven methionine residues are partially resolved into three composite peaks. Denaturation with urea collapses these into a single peak centered at 15.32 ppm, whereas the resonance of free methionine is at 15.04 ppm. Spectra of the free enzyme, its complex with methotrexate, and its complex with methotrexate and reduced nicotinamide adenine dinucleotide phosphate (NADPH) have been simulated, permitting more accurate estimates of line widths and nuclear Overhauser enhancement (NOE) values. These, together with the T/sub 1/ values, cannot be explained solely by the effects of macromolecular tumbling and very rapid rotation of the methionine methyl group about its axis. A model assuming, in addition, the occurrence of free rotation about the methionine CH/sub 2/-S bond is also unsatisfactory, and it is concluded that internal rotation about the CH/sub 2/-S bond is highly restricted so that the methyl group oscillates through a relatively narrow angular range. Complex formation with NADPH produced rather small changes in the spectrum of the native enzyme, probably due to conformational transitions in the enzyme. However, NADP/sup +/ produced several changes,including movement of one resonance downfield by at least 1.7 ppM.

  7. {sup 13}C dynamic nuclear polarization for measuring metabolic flux in endothelial progenitor cells

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    Nielsen, Nathalie; Laustsen, Christoffer; Bertelsen, Lotte Bonde, E-mail: Lotte@clin.au.dk

    2016-11-15

    Endothelial progenitor cells (EPCs) represent a heterogeneous cell population that is believed to be involved in vasculogenesis. With the purpose of enhancing endothelial repair, EPCs could have a potential for future cell therapies. Due to the low amount of EPCs in the peripheral circulating blood, in vitro expansion is needed before administration to recipients and the effects of in vitro culturing is still an under-evaluated field with little knowledge of how the cells change over time in culture. The aim of this study was to use hyperpolarised carbon-13 magnetic resonance spectroscopy to profile important metabolic pathways in a population of progenitor cells and to show that cell culturing in 3D scaffolds seem to block the metabolic processes that leads to cell senescence. The metabolic breakdown of hyperpolarized [1-{sup 13}C]pyruvate was followed after injection of the substrate to a bioreactor system with EPCs either adhered to 3D printed scaffolds or kept in cell suspension. The pyruvate-to-lactate conversion was elevated in suspension of EPCs compared to the EPCs adhered to scaffolds. Furthermore in the setup with EPCs in suspension, an increase in lactate production was seen over time indicating that the older the cultures of EPCs was before using the cells for cell suspension experiments, the more lactate they produce, compared to a constant lactate level in the cells adhered to scaffolds. It could therefore be stated that cells grown first in 2D culture and subsequent prepared for cell suspension show a metabolism with higher lactate production consistent with cells senescence processes compared to cells grown first at 2D culture and subsequent in the 3D printed scaffolds, where metabolism shows no sign of metabolic shifting during the monitored period. - Highlights: • Hyperpolarized 13C MRS detects EPCs metabolic changes associated with ageing and cultivating conditions. • Increased lactate production in EPC’s correlates positively with aging.

  8. /sup 13/C nuclear magnetic resonance study of the interaction of ligands with arginine residues in dihydrofolate reductase

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    Cocco, L. (Univ. of Iowa, Iowa City); Blakley, R.L.; Walker, T.E.; London, R.E.

    1977-01-01

    /sup 13/C NMR spectra of Streptococcus faecium dihydrofolate reductase containing (/sup 13/C-guanidino) arginine and ligand complexes with the labeled enzyme are reported. The spectrum of the native enzyme shows 5 well-resolved resonances (the enzyme contains 8 Arg) with a chemical shift range of 1.2 ppM. Addition of ligands to the enzyme produces distinct changes in the enzyme spectrum, and demonstrates that /sup 13/C NMR of labeled protein can be used in studies of protein-ligand interactions. An example of the use of /sup 13/C-depleted material is also presented.

  9. Dereplication of depsides from the lichen Pseudevernia furfuracea by centrifugal partition chromatography combined to {sup 13}C nuclear magnetic resonance pattern recognition

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    Oettl, Sarah K. [Institute of Pharmacy/Pharmacognosy, Center for Molecular Biosciences Innsbruck, University of Innsbruck, Innrain 80–82, 6020 Innsbruck (Austria); Hubert, Jane, E-mail: jane.hubert@univ-reims.fr [Institut de Chimie Moléculaire de Reims (UMR CNRS 7312), SFR CAP' sANTE, UFR de Pharmacie, Université de Reims Champagne-Ardenne, BP 1039, 51687 Reims Cedex 2 (France); Nuzillard, Jean-Marc [Institut de Chimie Moléculaire de Reims (UMR CNRS 7312), SFR CAP' sANTE, UFR de Pharmacie, Université de Reims Champagne-Ardenne, BP 1039, 51687 Reims Cedex 2 (France); Stuppner, Hermann [Institute of Pharmacy/Pharmacognosy, Center for Molecular Biosciences Innsbruck, University of Innsbruck, Innrain 80–82, 6020 Innsbruck (Austria); Renault, Jean-Hugues [Institut de Chimie Moléculaire de Reims (UMR CNRS 7312), SFR CAP' sANTE, UFR de Pharmacie, Université de Reims Champagne-Ardenne, BP 1039, 51687 Reims Cedex 2 (France); Rollinger, Judith M. [Institute of Pharmacy/Pharmacognosy, Center for Molecular Biosciences Innsbruck, University of Innsbruck, Innrain 80–82, 6020 Innsbruck (Austria)

    2014-10-10

    Highlights: • The major depsides of a lichen extract were directly identified within mixtures. • The initial extract was rapidly fractionated by CPC in the pH-zone refining mode. • Hierarchical clustering of {sup 13}C NMR signals resulted in the identification of depside molecular skeletons. • {sup 13}C chemical shift clusters were assigned to structures using a {sup 13}C NMR database. • Six depsides were unambiguously identified by this approach. - Abstract: Lichens produce a diversity of secondary metabolites, among them depsides comprised of two or more hydroxybenzoic acid units linked by ester, ether, or C-C-bonds. During classic solid support-based purification processes, depsides are often hydrolyzed and in many cases time, consuming procedures result only in the isolation of decomposition products. In an attempt to avoid extensive purification steps while maintaining metabolite structure integrity, we propose an alternative method to identify the major depsides of a lichen crude extract (Pseudevernia furfuracea var. ceratea (Ach.) D. Hawksw., Parmeliaceae) directly within mixtures. Exploiting the acidic character of depsides and differences in polarity, the extract was fractionated by centrifugal partition chromatography in the pH-zone refining mode resulting in twelve simplified mixtures of depsides. After {sup 13}C nuclear magnetic resonance analysis of the produced fractions, the major molecular structures were directly identified within the fraction series by using a recently developed pattern recognition method, which combines spectral data alignment and hierarchical clustering analysis. The obtained clusters of {sup 13}C chemical shifts were assigned to their corresponding molecular structures with the help of an in-house {sup 13}C NMR chemical shift database, resulting in six unambiguously identified compounds, namely methyl β-orcinolcarboxylate (1), atranorin (2), 5-chloroatranorin (3), olivetol carboxylic acid (4), olivetoric acid (5

  10. Detection of tannins in modern and fossil barks and in plant residues by high-resolution solid-state /sup 13/C nuclear magnetic resonance

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    Wilson, M.A.; Hatcher, P.G.

    1988-01-01

    Bark samples isolated from brown coal deposits in Victoria, Australia, and buried wood from Rhizophora mangle have been studied by high-resolution solid-state nuclear magnetic resonance (NMR) techniques. Dipolar dephasing /sup 13/C NMR appears to be a useful method of detecting the presence of tannins in geochemical samples including barks, buried woods, peats and leaf litter. It is shown that tannins are selectively preserved in bark during coalification to the brown coal stage. 28 refs., 9 figs., 1 tab.

  11. {sup 13}C DNP of biomolecules dissolved in water

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    Dollmann, Bjoern C.; Gruss, Konstantin; Jagschies, Lasse; Spiess, Hans W.; Hinderberger, Dariush; Muennemann, Kerstin [Max-Planck-Institute for Polymer Research, Mainz (Germany); Schreiber, Laura M. [Section of Medical Physics, Mainz University Medical Center, Mainz (Germany)

    2010-07-01

    Nuclear magnetic resonance (NMR) and related techniques have become indispensable tools with innumerable applications in physics, chemistry, biology and medicine. One of the main obstacles in NMR is its notorious lack of sensitivity, which is due to the low equilibrium polarization of nuclear spins at ambient temperature. This disadvantage becomes obvious if low {gamma} nuclei are employed for NMR spectroscopy and MR imaging or when small sample volumes should be investigated. However, this obstacle could be overcome by in vitro hyperpolarization of molecules via dynamic nuclear polarization (DNP). One major issue of this approach is the limited lifetime of the hyperpolarized state, which restricts the application and detection of the hyperpolarized molecules to roughly three times T{sub 1}. Therefore a lot of effort is put into the hyperpolarization of biomolecules with long spin lattice relaxation times. In this work, we present direct Overhauser-type DNP enhancement of {sup 13}C in solution at ambient temperatures. For a 5 {mu} l sample of 10 M {sup 13}C-enriched urea with 40 mM TEMPOL dissolved in water we measured a {sup 13}C signal enhancement of -335 in a commercial X-band electromagnet.

  12. /sup 13/C NMR studies of bacterial dihydrofolate reductase containing (methyl-/sup 13/C)methionine and (guanido-/sup 13/C)arginine. [Streptococcus

    Energy Technology Data Exchange (ETDEWEB)

    Matwiyoff, N.A.; London, R.E.; Walker, T.E.; Blakley, R.L.; Cocco, L.

    1978-01-01

    (Methyl-/sup 13/C)methionine and (guanido-/sup 13/C)arginine have been incorporated with high efficiency by Streptococcus faecium var. Durans strain A into dihydrofolate reductase isoenzyme 2 and /sup 13/C NMR spectra have been obtained for the labeled enzymes and their complexes with substrates, co-factors, and inhibitors. The /sup 13/C NMR spectra exhibit a high degree of discrimination--up to six guanido-/sup 13/C resonances spanning a 1.2 ppM range have been resolved for the eight arginine residues and, under certain conditions, seven methyl-/sup 13/C resonances spanning a 3 ppM chemical shift range have been resolved for the seven methionine residues of the enzyme. The /sup 13/C chemical shifts and spin lattice relaxation times of these distinct, relatively narrow resonances can be interpreted in terms of the conformational states of the enzyme and the interactions of the /sup 13/C-labeled residues with bound ligands. In a larger context, the results reported here provide experimental data which bear on a central question in the use of /sup 13/C NMR spectroscopy to probe the structure of labeled macromolecules, vis.: Where should the /sup 13/C label be incorporated to ensure a relatively narrow resonance whose chemical shift is nonetheless sensitive to perturbations of the macromolecule. Contrary to one accepted view, this study demonstrates that a significant degree of internal motion for a class of amino acid residues is not necessarily incompatible with a large chemical shift dispersion within the class.

  13. Nuclear magnetic resonance study of interaction of ligands with Streptococcus faecium dihydrofolate reductase labeled with (. gamma. -/sup 13/C)tryptophan

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    London, R.E. (Los Alamos National Lab., NM); Groff, J.P.; Cocco, L.; Blakley, R.L.

    1982-01-01

    Dihydrofolate reductase from Streptococcus faecium has been labeled with (..gamma..-/sup 13/C)tryptophan. We have determined changes occurring in the chemical shifts and line widths of the four resonances of the /sup 13/C NMR spectrum of the labeled enzyme, due to its interaction with various ligands. These include the coenzyme, NPDPH and related nucleotides, folate and its polyglutamate derivatives, and many inhibitors including methotrexate and trimethoprim. In addition, paramagnetic relaxation effects produced by a bound spin-labeled analogue of 2'-phosphoadenosine-5'-diphosphoribose on the tryptophan C/sup ..gamma../ carbons have been measured. Distances calculated from the relaxation data have been compared with corresponding distances in the crystallographic model of the NADPH-methotrexate ternary complex of Lactobacillus casei reductase. The paramagnetic relaxation data indicate that the two downfield resonances (1 and 2) correspond to tryptophans (W/sub A/ and W/sub B/) that are more remote from the catalytic site, and from the crystallographic model these are seen to be Trp-115 and Trp-160. The upfield resonances (3 and 4) that show broadening due to chemical exchange correspond to closer residues (W/sub C/ and W/sub D/), and these are identified with Trp-6 and Trp-22. However, the relaxation data do not permit specific assignments within the nearer and farther pairs. Although resonance 3, which is split due to chemical exchange, was formerly assigned to Trp-6, data obtained for the enzyme in the presence of various ligands are better interpreted if resonance 3 is assigned to Trp-22, which is located on a loop that joins elements of secondary structure and forms one side of the ligand-binding cavity.

  14. Possibilities and limitations of sup 1 H and sup 13 C nuclear magnetic resonance spectroscopy for the identification and the quantitative determination of some naturally occurring carcinogenic risk factors. [Senecio vulgaris; Senecio vernalis; Senecio jacobaea; Euphorbia ingens

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    Pieters, L.

    1988-01-01

    The aim of this work was to develop a phytochemical screening method for some selected carcinogenic or tumor-promoting principles in higher plants. The pyrrolizidine alkaloids from some Senecio species (Compositae or Asteraceae), and the diterpene ester from Croton tiglium L. and Euphorbia ingens E. Mey (Euphorbiaceae) were chosen as representatives of both groups. The possibilities and limitations of {sup 1}H and {sup 13}C nuclear magnetic resonance spectroscopy ({sup 1}H and {sup 13}C NMR) for the analysis of mixtures of carcinogenic pyrrolizidine alkaloids were compared with high performance liquid chromatography, and gas chromatography with high performance liquid chromatography, and gas chromatography was well as gas chromatography - mass spectrometry. Senecio vulgaris L., Senecio vernalis Waldst. and Kit. and Senecio jacobaea L. were investigated.

  15. Unambiguous assigning of the signals of the nuclear magnetic resonance spectra of {sup 1} H and {sup 13} C of monoterpenes using computational methods; Asignacion inequivoca de las senales del espectro de resonancia magnetica nuclear de {sup 1} H y {sup 13} C de monoterpenos empleando metodos computacionales

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    Cortes, F.; Cuevas, G.; Tenorio, J.; Rochin, A.L. [Universidad Nacional Autonoma de Mexico, Instituto de Quimica, A.P. 70213, 04510 Mexico D.F. (Mexico)

    2000-07-01

    Ab initio calculations, within the frame of Density Functional Theory were carried out on camphene and {alpha}-pinene. The {sup 1} H and {sup 13} C shifts were estimated according to the recently developed Sum-Over-States Density Functional Perturbation Theory (SOS-DFPT) as implemented in a modified deMon-KS program. The calculations not only reproduced the observed NMR chemical shifts, quantitatively in the case of {sup 1} H nuclei and qualitatively in the case of {sup 13} C nuclei, but also allow assigning unambiguously the signal on these spectra. (Author)

  16. Synthesis of porphobilinogen-11-/sup 13/C

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    Buldain, G.; Valasinas, A. (Buenos Aires Univ. Nacional (Argentina). Facultad de Farmacia y Bioquimica)

    1982-01-01

    Porphobilinogen-11-/sup 13/C was prepared by using benzyl 3-(..beta..-methoxycarbonylethyl)-4-(methoxycarbonylmethyl)-2-pyrrolecarboxylate as a starting material. A Vilsmeier-Haak formylation with N,N'-dimethylform-/sup 13/C-amide gave the 2-formylpyrrole, which was transformed into its oxime, and the latter was hydrogenated to the hydrochloride of 5-carboxyporphobilinogen dimethyl ester. The hydrochloride cyclized to 5-carboxyporphobilinogen lactam at pH 9, and the latter was first decarboxylated and then saponified to give the title compound.

  17. Accurate measurements of {sup 13}C-{sup 13}C distances in uniformly {sup 13}C-labeled proteins using multi-dimensional four-oscillating field solid-state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Straasø, Lasse Arnt; Nielsen, Jakob Toudahl; Bjerring, Morten; Nielsen, Niels Chr., E-mail: ncn@inano.au.dk [Center for Insoluble Protein Structures (inSPIN), Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, Aarhus University, DK-8000 Aarhus C (Denmark); Khaneja, Navin [Division of Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2014-09-21

    Application of sets of {sup 13}C-{sup 13}C internuclear distance restraints constitutes a typical key element in determining the structure of peptides and proteins by magic-angle-spinning solid-state NMR spectroscopy. Accurate measurements of the structurally highly important {sup 13}C-{sup 13}C distances in uniformly {sup 13}C-labeled peptides and proteins, however, pose a big challenge due to the problem of dipolar truncation. Here, we present novel two-dimensional (2D) solid-state NMR experiments capable of extracting distances between carbonyl ({sup 13}C′) and aliphatic ({sup 13}C{sub aliphatic}) spins with high accuracy. The method is based on an improved version of the four-oscillating field (FOLD) technique [L. A. Straasø, M. Bjerring, N. Khaneja, and N. C. Nielsen, J. Chem. Phys. 130, 225103 (2009)] which circumvents the problem of dipolar truncation, thereby offering a base for accurate extraction of internuclear distances in many-spin systems. The ability to extract reliable accurate distances is demonstrated using one- and two-dimensional variants of the FOLD experiment on uniformly {sup 13}C,{sup 15}N-labeled-L-isoleucine. In a more challenging biological application, FOLD 2D experiments are used to determine a large number of {sup 13}C′-{sup 13}C{sub aliphatic} distances in amyloid fibrils formed by the SNNFGAILSS fibrillating core of the human islet amyloid polypeptide with uniform {sup 13}C,{sup 15}N-labeling on the FGAIL fragment.

  18. Neutron orbital radii in {sup 13} C; Radios orbitales neutronicos en {sup 13} C

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    Aguilera R, E.F.; Murillo, G.; Ramirez, J.J.; Avila, O.L. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

    1988-01-15

    In this work its were carried out experimental measurements of the reaction {sup 12}C(d,p) {sup 13}C at low energy. Preliminary results of a DWBA analysis of the data are presented, and the possibility of using this reaction to obtain the orbital radius of the transferred neutron is investigated. (Author)

  19. Metabolic pathways for ketone body production. /sup 13/C NMR spectroscopy of rat liver in vivo using /sup 13/C-multilabeled fatty acids

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    Pahl-Wostl, C.; Seelig, J.

    1986-11-04

    The hormonal regulation of ketogenesis in the liver of living rat has been studied noninvasively with /sup 13/C nuclear magnetic resonance. The spatial selection for the liver was better than 90%, with extrahepatic adipose tissue contribution only a very small amount of signal. The metabolic activities of the liver were investigated by infusion of /sup 13/C-labeled butyrate in the jugular vein of the anesthetized rat. The rate of butyrate infusion was chosen to be close to the maximum oxidative capacity of the rat liver, and the /sup 13/C signal intensities were enhanced by using doubly labeled (1,3-/sup 13/C)butyrate as a substrate. Different /sup 13/C NMR spectra and hence different metabolites were observed depending on the hormonal state of the animal. The /sup 13/C NMR studies demonstrate that even when rate of acetyl-CoA production are high, the disposal of this compound is not identical in fasted and diabetic animals. This supports previous suggestions that the redox state of the mitochondrion represents the most important factor in regulation. For a given metabolic state of the animal, different signal intensities were obtained depending on whether butyrate was labeled at C-1, C-3, or C-1,3. From the ratios of incorporation of /sup 13/C label into the carbons of 3-hydroxybutyrate, it could be estimated that a large fraction of butyrate evaded ..beta..-oxidation to acetyl-CoA but was converted directly to acetoacetyl-CoA. /sup 13/C-labeled glucose could be detected in vivo in the liver of diabetic rats.

  20. Study and validity of {sup 13}C stable carbon isotopic ratio analysis by mass spectrometry and {sup 2}H site-specific natural isotopic fractionation by nuclear magnetic resonance isotopic measurements to characterize and control the authenticity of honey

    Energy Technology Data Exchange (ETDEWEB)

    Cotte, J.F. [Cooperative France Miel, BP 5, 330 Mouchard (France); Casabianca, H. [Service Central d' Analyse, USR 059-CNRS, BP 22, 69390 Vernaison (France); Lheritier, J. [Cooperative France Miel, BP 5, 330 Mouchard (France); Perrucchietti, C. [Service Central d' Analyse, USR 059-CNRS, BP 22, 69390 Vernaison (France); Sanglar, C. [Service Central d' Analyse, USR 059-CNRS, BP 22, 69390 Vernaison (France); Waton, H. [Service Central d' Analyse, USR 059-CNRS, BP 22, 69390 Vernaison (France); Grenier-Loustalot, M.F. [Service Central d' Analyse, USR 059-CNRS, BP 22, 69390 Vernaison (France)]. E-mail: mf.grenier-loustalot@sca.cnrs.fr

    2007-01-16

    Honey samples were analyzed by stable carbon isotopic ratio analysis by mass spectrometry (SCIRA-MS) and site-specific natural isotopic fractionation measured by nuclear magnetic resonance (SNIF-NMR) to first determine their potentials for characterizing the substance and then to combat adulteration. Honey samples from several geographic and botanical origins were analyzed. The {delta} {sup 13}C parameter was not significant for characterizing an origin, while the (D/H){sub I} ratio could be used to differentiate certain single-flower varieties. Application of the official control method of adding a C{sub 4} syrup (AOAC official method 998.12) to our authentic samples revealed anomalies resulting from SCIRA indices that were more negative than -1 per mille (permil). A filtration step was added to the experimental procedure and provided results that were compliant with Natural origin of our honey samples. In addition, spiking with a C{sub 4} syrup could be detected starting at 9-10%. The use of SNIF-NMR is limited by the detection of a syrup spike starting only at 20%, which is far from satisfying.

  1. Detailed {sup 1}H and {sup 13}C NMR spectral data assignment for two dihydrobenzofuran neolignans

    Energy Technology Data Exchange (ETDEWEB)

    Medeiros, Talita C.T.; Dias, Herbert J.; Crotti, Antônio E.M., E-mail: millercrotti@ffclrp.usp.br [Universidade de São Paulo (USP), Ribeirão Preto, SP (Brazil). Faculdade de Filosofia, Ciências e Letras. Departamento de Química

    2016-07-01

    In this work we present a complete proton ({sup 1}H) and carbon 13 ({sup 13}C) nuclear magnetic resonance (NMR) spectral analysis of two synthetic dihydrofuran neolignans (±)-trans-dehydrodicoumarate dimethyl ester and (±)-trans-dehydrodiferulate dimethyl ester. Unequivocal assignments were achieved by 1 H NMR, proton decoupled {sup 13}C ({sup 13}C{"1H}) NMR spectra, gradient-selected correlation spectroscopy (gCOSY), J-resolved, gradient-selected heteronuclear multiple quantum coherence (gHMQC), gradient-selected heteronuclear multiple bond coherence (gHMBC) and nuclear Overhauser effect spectroscopy (NOESY) experiments. All hydrogen coupling constants were measured, clarifying all the hydrogen signals multiplicities. Computational methods were also used to simulate the {sup 1}H and {sup 13}C chemical shifts and showed good agreement with the trans configuration of the substituents at C{sub 7} and C{sub 8}. (author)

  2. Impact of radiolysis and radiolytic corrosion on the release of {sup 13}C and {sup 37}Cl implanted into nuclear graphite: Consequences for the behaviour of {sup 14}C and {sup 36}Cl in gas cooled graphite moderated reactors

    Energy Technology Data Exchange (ETDEWEB)

    Moncoffre, N., E-mail: nathalie.moncoffre@ipnl.in2p3.fr [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); Toulhoat, N. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); CEA/DEN, Centre de Saclay (France); Bérerd, N.; Pipon, Y. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); Université de Lyon, Université Lyon, IUT Lyon-1 département chimie (France); Silbermann, G. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); EDF – DPI - DIN – CIDEN, DIE - Division Environnement, Lyon (France); Blondel, A. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); Andra, Châtenay-Malabry (France); Galy, N. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon (IPNL) (France); EDF – DPI - DIN – CIDEN, DIE - Division Environnement, Lyon (France); and others

    2016-04-15

    Graphite finds widespread use in many areas of nuclear technology based on its excellent moderator and reflector qualities as well as its strength and high temperature stability. Thus, it has been used as moderator or reflector in CO{sub 2} cooled nuclear reactors such as UNGG, MAGNOX, and AGR. However, neutron irradiation of graphite results in the production of {sup 14}C (dose determining radionuclide) and {sup 36}Cl (long lived radionuclide), these radionuclides being a key issue regarding the management of the irradiated waste. Whatever the management option (purification, storage, and geological disposal), a previous assessment of the radioactive inventory and the radionuclide's location and speciation has to be made. During reactor operation, the effects of radiolysis are likely to promote the radionuclide release especially at the gas/graphite interface. Radiolysis of the coolant is mainly initiated through γ irradiation as well as through Compton electrons in the graphite pores. Radiolysis can be simulated in laboratory using γ irradiation or ion irradiation. In this paper, {sup 13}C, {sup 37}Cl and {sup 14}N are implanted into virgin nuclear graphite in order to simulate respectively the presence of {sup 14}C, {sup 36}Cl and nitrogen, a {sup 14}C precursor. Different irradiation experiments were carried out using different irradiation devices on implanted graphite brought into contact with a gas simulating the coolant. The aim was to assess the effects of gas radiolysis and radiolytic corrosion induced by γ or He{sup 2+} irradiation at the gas/graphite interface in order to evaluate their role on the radionuclide release. Our results allow inferring that radiolytic corrosion has clearly promoted the release of {sup 14}C, {sup 36}Cl and {sup 14}N located at the graphite brick/gas interfaces and open pores.

  3. Synthesis and purification of {sup 13}C labelled xanthine derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Boukraa, M.S.; Deruaz, D.; Bannier, A.; Desage, M.; Brazier, J.L. [Institut des Sciences Pharmaceutiques et Biologiques, 69 -Lyon (France). Lab. d`Etudes Analytiques et Cinetiques du Medicament

    1995-12-31

    (3-[Methyl-{sup 13})C]xanthine, (7-[Methyl-{sup 13})C]xanthine, 1,(3-[Dimethyl-{sup 13})C{sub 2}]xanthine (theophylline-1,3-[{sup 13})CH{sub 3}]({sub 2}), 1,7-([Dimethyl-{sup 13})C{sub 2}]xanthine (paraxanthine-1,7[{sup 13})CH{sub 3}]({sub 2}), and 3,7-[Dimethyl-({sup 13})C{sub 2}]xanthine (theobromine-3,7-[{sup 13})CH{sub 3}]{sub 2} were synthesized by nucleophilic substitution reaction(SN{sub 2}) from xanthine (X) and iodomethane-[{sup 13}C]. The 3-isobutylparaxanthine-7-[{sup 13} CH{sub 3}] was prepared from 3-isobutyl-1-methylxanthine (IBMX). The compounds were purified by reverse phase semipreparative liquid chromatography and their chemical structure and purity verified by GC-MS. (Author).

  4. Bacterial production of site specific {sup 13}C labeled phenylalanine and methodology for high level incorporation into bacterially expressed recombinant proteins

    Energy Technology Data Exchange (ETDEWEB)

    Ramaraju, Bhargavi; McFeeters, Hana; Vogler, Bernhard; McFeeters, Robert L., E-mail: robert.mcfeeters@uah.edu [University of Alabama in Huntsville, Department of Chemistry (United States)

    2017-01-15

    Nuclear magnetic resonance spectroscopy studies of ever larger systems have benefited from many different forms of isotope labeling, in particular, site specific isotopic labeling. Site specific {sup 13}C labeling of methyl groups has become an established means of probing systems not amenable to traditional methodology. However useful, methyl reporter sites can be limited in number and/or location. Therefore, new complementary site specific isotope labeling strategies are valuable. Aromatic amino acids make excellent probes since they are often found at important interaction interfaces and play significant structural roles. Aromatic side chains have many of the same advantages as methyl containing amino acids including distinct {sup 13}C chemical shifts and multiple magnetically equivalent {sup 1}H positions. Herein we report economical bacterial production and one-step purification of phenylalanine with {sup 13}C incorporation at the Cα, Cγ and Cε positions, resulting in two isolated {sup 1}H-{sup 13}C spin systems. We also present methodology to maximize incorporation of phenylalanine into recombinantly overexpressed proteins in bacteria and demonstrate compatibility with ILV-methyl labeling. Inexpensive, site specific isotope labeled phenylalanine adds another dimension to biomolecular NMR, opening new avenues of study.

  5. The low temperature oxidation of Athabasca oil sand asphaltene observed from {sup 13}C, {sup 19}F, and pulsed field gradient spin-echo proton n.m.r. spectra

    Energy Technology Data Exchange (ETDEWEB)

    Desando, M.A.; Lahanjar, G.; Ripmeester, J.A.; Zupancic, I. [National Research Council of Canada, Ottawa, ON (Canada). Division of Chemistry

    1999-01-01

    Carbon-13 and fluorine-19 nuclear magnetic resonance spectra of chemically derivatized, by phase transfer methylation and trifluoroacetylation, Athabasca oil sand asphaltene, reveal a broad site distribution of different types of hydroxyl-containing functional groups, viz., carboxylic acids, phenols, and alcohols. The low temperature air oxidation of asphaltene, at ca. 130{degree}C for 3 days, generates a few additional carboxyl and phenolic groups. These results are consistent with a mechanism in which diaryl methylene and ether moieties react with oxygen. Self-diffusion coefficients, from the pulsed field gradient spin-echo proton magnetic resonance technique, suggest that low temperature oxidation does not appreciably alter the average particle size and diffusion properties of asphaltene in deuterochloroform. 55 refs., 9 figs., 3 tabs.

  6. Metabolic origin of the {delta}{sup 13}C of respired CO{sub 2} in roots of Phaseolus vulgaris

    Energy Technology Data Exchange (ETDEWEB)

    Bathellier, C.; Tcherkez, G.; Cornic, G.; Ghashghaie, J. [Laboratoire d' Ecologie, Systematique et Evolution - ESE, CNRS-UMR 8079 - IFR 87, Batiment 362, Universite Paris-Sud, 91405-Orsay Cedex (France); Tcherkez, G. [Plateforme Metabolisme-Metabolome, IFR87 La Plante et son Environnement, Institut de Biotechnologie des Plantes, Batiment 630, Universite Paris-Sud, 91405-Orsay Cedex (France); Bligny, R.; Gout, E. [Laboratoire de Physiologie Cellulaire Vegetale CEA-Grenoble 17, rue des Martyrs, 38054 Grenoble Cedex 9 (France)

    2009-07-01

    - Root respiration is a major contributor to soil CO{sub 2} efflux, and thus an important component of ecosystem respiration. But its metabolic origin, in relation to the carbon isotope composition ({delta}{sup 13}C), remains poorly understood. - Here, {sup 13}C analysis was conducted on CO{sub 2} and metabolites under typical conditions or under continuous darkness in French bean (Phaseolus vulgaris) roots. {sup 13}C contents were measured either under natural abundance or following pulse-chase labeling with {sup 13}C-enriched glucose or pyruvate, using isotope ratio mass spectrometer (IRMS) and nuclear magnetic resonance (NMR) techniques. - In contrast to leaves, no relationship was found between the respiratory quotient and the {delta}{sup 13}C of respired CO{sub 2}, which stayed constant at a low value (c. -27.5 per thousand) under continuous darkness. With labeling experiments, it is shown that such a pattern is explained by the {sup 13}C-depleting effect of the pentose phosphate pathway; and the involvement of the Krebs cycle fueled by either the glycolytic input or the lipid/protein recycling. The anaplerotic phosphoenolpyruvate carboxylase (PEPc) activity sustained glutamic acid (Glu) synthesis, with no net effect on respired CO{sub 2}. - These results indicate that the root {delta}{sup 13}C signal does not depend on the availability of root respiratory substrates and it is thus plausible that, unless the {sup 13}C photosynthetic fractionation varies at the leaf level, the root {delta}{sup 13}C signal hardly changes under a range of natural environmental conditions. (authors)

  7. In vivo {sup 13}C MRS studies of carbohydrate metabolism

    Energy Technology Data Exchange (ETDEWEB)

    Halliday, Jane

    2003-07-01

    The work described in this thesis was performed by the author, except where indicated, within the Magnetic Resonance Centre at the University of Nottingham during the period between October 1999 and October 2002. Although much is known about the major pathways of carbohydrate metabolism, there is still much to be learnt about the exact mechanisms of many of these pathways. Of particular interest is how these pathways are modified under different physiological conditions and in diseased states. {sup 13}C NMR spectroscopy provides a non-invasive means for studying carbohydrate metabolism in vivo, and the work presented within this thesis gives two such examples of this in human subjects. Natural abundance {sup 13}C NMR spectroscopy was used to measure glycogen levels in gastrocnemius muscle. The diurnal changes in response to mixed meals were measured in both type 2 diabetic subjects and age and weight matched controls. Metabolic studies were performed to complement the NMR measurements. The data obtained in these studies show the effect of the failure of muscle glucose storage upon post-prandial hyperglycaemia despite a supra-normal increase in plasma insulin in type 2 diabetes. {sup 13}C NMR spectroscopy was also used to study cerebral metabolism. Accumulation of {sup 13}C label into glutamate and glutamine following infusion of [1{sup 13}C] glucose allows the determination of the rates of the TCA cycle (F{sub TCA}) and neurotransmitter cycling (F{sub cyc}). These rates were measured in the visual cortex under control and activated conditions. The increases seen in F{sub TCA} upon activation, together with the lack of label accumulation in lactate, suggest that cerebral glucose metabolism is oxidative, even during strong activation. No conclusion can be made as to whether or not a similar increase is seen in F{sub cyc} due to the large associated errors in these values. (author)

  8. Synthesis of [1-.sup.13C]pyruvic acid], [2-.sup.13C]pyruvic acid], [3-.sup.13C]pyruvic acid] and combinations thereof

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Rodolfo A. (Santa Fe, NM), Unkefer; Clifford J. (Los Alamos, NM), Alvarez; Marc, A [Santa Fe, NM

    2012-06-12

    The present invention is directed to the labeled compounds, ##STR00001## wherein C* is each either .sup.13C and .sup.12C where at least one C* is .sup.13C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group ##STR00002## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently either hydrogen, a C.sub.1-C.sub.4 lower alkyl, a halogen, and an amino group such as NH.sub.2, NHR and NRR' where R and R' are each independently either a C.sub.1-C.sub.4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms. The present invention is also directed to the labeled compounds ##STR00003##

  9. {sup 13}C transport studies in L-mode divertor plasmas on DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Allen, S.L. [Lawrence Livermore National Laboratory, P.O. Box 808, 7000 East Avenue, L-637, Livermore, CA 94550 (United States)]. E-mail: allens@fusion.gat.com; Wampler, W.R. [Sandia National Laboratories, Albuquerque, NM 87185-1129 (United States); McLean, A.G. [University of Toronto Institute for Aerospace Studies, Toronto, Canada MH3 5T6 (Canada); Whyte, D.G. [University of Wisconsin, Madison, WI 53706 (United States); West, W.P. [General Atomics, San Diego, CA 92186-5608 (United States); Stangeby, P.C. [University of Toronto Institute for Aerospace Studies, Toronto, Canada MH3 5T6 (Canada); Brooks, N.H. [General Atomics, San Diego, CA 92186-5608 (United States); Rudakov, D.L. [University of California, San Diego, La Jolla, CA 92093-0417 (United States); Phillips, V. [FZJ Juelich GmbH/EURATOM Institut fuer Plasmaphysik, TEC, D-52425 Juelich (Germany); Rubel, M. [Alfven Laboratory, Royal Institute of Technology, Association EURATOM-VR, Stockholm (Sweden); Matthews, G.F. [EURATOM/UKAEA Fusion Association, Culham Science Center, 0X14 3DB Abingdon (United Kingdom); Nagy, A. [Princeton Plasma Physics Laboratory, Princeton NJ 08543-0451 (United States); Ellis, R. [Lawrence Livermore National Laboratory, P.O. Box 808, 7000 East Avenue, L-637, Livermore, CA 94550 (United States); Bozek, A.S. [General Atomics, San Diego, CA 92186-5608 (United States)

    2005-03-01

    {sup 13}CH{sub 4} was injected with a toroidally-symmetric gas system into 22 identical lower-single-null L-mode discharges on DIII-D. The injection level was adjusted so that it did not significantly perturb the core or divertor plasmas, with a duration of {approx}3 s on each shot, for a total of {approx}300 T L of injected particles. The plasma shape remained very constant; the divertor strike points were controlled to {approx}1 cm at the divertor plate. At the beginning of the subsequent machine vent, 29 carbon tiles were removed for nuclear reaction analysis of {sup 13}C content to determine regions of carbon deposition. It was found that only the tiles inboard of the inner strike point had appreciable {sup 13}C above background. Visible spectroscopy measurements of the carbon injection and comparisons with modeling are consistent with carbon transport by means of scrape-off layer flow.

  10. {sup 13}C NMR and EPR spectroscopic evaluation of oil shale mined soil recuperation

    Energy Technology Data Exchange (ETDEWEB)

    Santos, J.V. dos, E-mail: mangrich@ufpr.br [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil); Mangrich, A.S. [Instituto Nacional de Ciencia e Tecnologia: Energia e Ambiente, Salvador, BA (Brazil); Pereira, B.F. [EMBRAPA Clima Temperado, Pelotas, RS (Brazil); Pillon, C.N. [EMBRAPA Clima Temperado, Pelotas, RS (Brazil). Estacao Experimental Cascata; Novotny, E.H. [EMBRAPA Solos, Rio de Janeiro, RJ (Brazil); Bonagamba, T.J. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Instituto de Fisica; Abbt-Braun, G.; Frimmel, F.H. [Engler-Bunte-Institut, Universitaet Karlsruhe, TH (Germany)

    2013-02-15

    In this work, native forest soil (NFS) organic matter (SOM) sample and SOM samples from a neighboring forest soil area of an oil shale mine which is being rehabilitated for thirty years (RFS) were analyzed. X-band electron paramagnetic resonance (EPR) and solid-state {sup 13}C nuclear magnetic resonance (NMR) spectroscopies were used to evaluate the soil reclamation of the Brazilian oil shale mining process. Two-dimensional heterospectral correlation studies of the results obtained from EPRand {sup 13}C NMR were used to obtain information about SOM structures and their interactions with residual paramagnetic metal ion. The signal of the residual metallic oxycation, VO{sup 2+} correlated positively with uronic acid-type hydrophilic organic structures, determined from the {sup 13}C NMR spectra, and correlated negatively with the organic free radical (OFR) signal associated with oxygen atoms (g = 2.0042). The hydrophobic aromatic structures correlate positively with the EPR OFR signal associated with carbon atoms (g = 2.0022). The data from the two spectroscopic magnetic techniques show that the used recuperation process is effective. (author)

  11. IRMS detection of testosterone manipulated with {sup 13}C labeled standards in human urine by removing the labeled {sup 13}C

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jingzhu, E-mail: wangjingzhu@chinada.cn [National Anti-Doping Laboratory, China Anti-Doping Agency, Beijing (China); Yang, Rui [Sport Science College, Beijing Sport University Beijing, Beijing (China); Yang, Wenning [School of Pharmacy, Beijing University of Chinese Medicine, Beijing (China); Liu, Xin; Xing, Yanyi; Xu, Youxuan [National Anti-Doping Laboratory, China Anti-Doping Agency, Beijing (China)

    2014-12-10

    Highlights: • {sup 13}C labeled testosterone can be used to adjust the isotope ratio of testosterone. • The novel testosterone cannot be detected by the regular IRMS method in doping test. • A method was explored to remove the labeled {sup 13}C. • The established method can be used to detect the manipulated testosterone. - Abstract: Isotope ratio mass spectrometry (IRMS) is applied to confirm testosterone (T) abuse by determining the carbon isotope ratios (δ{sup 13}C value). However, {sup 13}C labeled standards can be used to control the δ{sup 13}C value and produce manipulated T which cannot be detected by the current method. A method was explored to remove the {sup 13}C labeled atom at C-3 from the molecule of androsterone (Andro), the metabolite of T in urine, to produce the resultant (A-nor-5α-androstane-2,17-dione, ANAD). The difference in δ{sup 13}C values between Andro and ANAD (Δδ{sup 13}C{sub Andro–ANAD}, ‰) would change significantly in case manipulated T is abused. Twenty-one volunteers administered T manipulated with different {sup 13}C labeled standards. The collected urine samples were analyzed with the established method, and the maximum value of Δδ{sup 13}C{sub Andro–ANAD} post ingestion ranged from 3.0‰ to 8.8‰. Based on the population reference, the cut-off value of Δδ{sup 13}C{sub Andro–ANAD} for positive result was suggested as 1.2‰. The developed method could be used to detect T manipulated with 3-{sup 13}C labeled standards.

  12. {sup 13}C-direct detected NMR experiments for the sequential J-based resonance assignment of RNA oligonucleotides

    Energy Technology Data Exchange (ETDEWEB)

    Richter, Christian [Johann Wolfgang Goethe-University Frankfurt, Institute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (Germany); Kovacs, Helena [Bruker BioSpin AG (Switzerland); Buck, Janina; Wacker, Anna [Johann Wolfgang Goethe-University Frankfurt, Institute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (Germany); Fuertig, Boris [Max F. Perutz Laboratories (Austria); Bermel, Wolfgang [Bruker BioSpin GmbH (Germany); Schwalbe, Harald, E-mail: schwalbe@nmr.uni-frankfurt.d [Johann Wolfgang Goethe-University Frankfurt, Institute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (Germany)

    2010-08-15

    We present here a set of {sup 13}C-direct detected NMR experiments to facilitate the resonance assignment of RNA oligonucleotides. Three experiments have been developed: (1) the (H)CC-TOCSY-experiment utilizing a virtual decoupling scheme to assign the intraresidual ribose {sup 13}C-spins, (2) the (H)CPC-experiment that correlates each phosphorus with the C4' nuclei of adjacent nucleotides via J(C,P) couplings and (3) the (H)CPC-CCH-TOCSY-experiment that correlates the phosphorus nuclei with the respective C1',H1' ribose signals. The experiments were applied to two RNA hairpin structures. The current set of {sup 13}C-direct detected experiments allows direct and unambiguous assignment of the majority of the hetero nuclei and the identification of the individual ribose moieties following their sequential assignment. Thus, {sup 13}C-direct detected NMR methods constitute useful complements to the conventional {sup 1}H-detected approach for the resonance assignment of oligonucleotides that is often hindered by the limited chemical shift dispersion. The developed methods can also be applied to large deuterated RNAs.

  13. Polysaccharides of algae. Pt. 37. Characterization of hybrid structure of substituted agarose from Polysiphonia morrowii (Rhodophyta, Rhodomelaceae) using. beta. -agarase and /sup 13/C-NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Usov, A.I.; Ivanova, E.G.

    1987-09-01

    Structure of gel-forming galactan from Polysiphonia morrowii was analysed using bacterial ..beta..-agarase and /sup 13/C-nuclear magnetic resonance (/sup 13/C-NMR) spectroscopy. The polysaccharide was shown to contain: a) blocks composed of agarobiose residues, partly 6-O-methylated and 6-sulfated, which are sensitive to enzymolysis; b) extended blocks composed of agarobiose 6-sulfate residues, which are resistant to ..beta..-agarase action. The latter blocks contain also ..beta..-D-galactopyranosyl-(1->4)-..cap alpha..-L-galactopyranose 6.6'-disulfate residues (biogenetic precursors of agarobiose 6-sulfate), which are hardly detectable by /sup 13/C-NMR spectrum of the starting polysaccharide. Action of alkali on the enzyme-resistant fraction afforded a polysaccharide preparation having /sup 13/C-NMR spectrum of agarose 6-sulfate.

  14. South American tree rings show declining [delta][sup 13]C trend

    Energy Technology Data Exchange (ETDEWEB)

    Leavitt, S.W. (Univ. of Arizona, Tucson, AZ (United States). Lab. of Tree-Ring Research); Lara, A. (Univ. Austral de Chile, Valdivia (Chile). Inst. de Silvicultura)

    1994-04-01

    A composite, 290-year tree-ring [delta][sup 13]C chronology was developed from a site in Chile where 5 Fitzroya cupressoides (alerce) trees were sampled, 2 increment cores per tree, and the holocellulose component was analyzed in 5-year ring groups. This chronology shows a decreasing [delta][sup 13]C trend of approximately 1.2 per mille, primarily since the turn of this century. This [delta][sup 13]C decline is similar to that of major tree-ring studies in the Northern Hemisphere, but it is the only major Southern Hemisphere study which clearly exhibits such a [delta][sup 13]C trend. This is the first evidence for any interhemispheric reproducibility of tree-ring [delta][sup 13]C chronologies, and furthermore, the Fitzroya [delta][sup 13]C trend conforms well to that of [delta][sup 13]C of atmospheric CO[sub 2] determined from ice cores and direct measurements. This correspondence suggests the alerce [delta][sup 13]C trend has not been substantially influenced by systematic changes in environmental factors such as light, relative humidity and soil moisture or by changing atmospheric CO[sub 2] concentration, all of which are, in theory, capable of altering C[sub i]/C[sub a] ratios and obscuring the atmospheric [delta][sup 13]C record contained in the tree rings. 31 refs, 2 figs

  15. Overexpression of a homogeneous oligosaccharide with {sup 13}C labeling by genetically engineered yeast strain

    Energy Technology Data Exchange (ETDEWEB)

    Kamiya, Yukiko; Yamamoto, Sayoko [National Institutes of Natural Sciences, Okazaki Institute for Integrative Bioscience and Institute for Molecular Science (Japan); Chiba, Yasunori; Jigami, Yoshifumi [National Institute of Advanced Industrial Science and Technology, Research Center for Medical Glycoscience (Japan); Kato, Koichi, E-mail: kkatonmr@ims.ac.jp [National Institutes of Natural Sciences, Okazaki Institute for Integrative Bioscience and Institute for Molecular Science (Japan)

    2011-08-15

    This report describes a novel method for overexpression of {sup 13}C-labeled oligosaccharides using genetically engineered Saccharomyces cerevisiae cells, in which a homogeneous high-mannose-type oligosaccharide accumulates because of deletions of genes encoding three enzymes involved in the processing pathway of asparagine-linked oligosaccharides in the Golgi complex. Using uniformly {sup 13}C-labeled glucose as the sole carbon source in the culture medium of these engineered yeast cells, high yields of the isotopically labeled Man{sub 8}GlcNAc{sub 2} oligosaccharide could be successfully harvested from glycoprotein extracts of the cells. Furthermore, {sup 13}C labeling at selected positions of the sugar residues in the oligosaccharide could be achieved using a site-specific {sup 13}C-enriched glucose as the metabolic precursor, facilitating NMR spectral assignments. The {sup 13}C-labeling method presented provides the technical basis for NMR analyses of structures, dynamics, and interactions of larger, branched oligosaccharides.

  16. Site-selective {sup 13}C labeling of proteins using erythrose

    Energy Technology Data Exchange (ETDEWEB)

    Weininger, Ulrich, E-mail: ulrich.weininger@physik.uni-halle.de [Lund University, Department of Biophysical Chemistry, Center for Molecular Protein Science (Sweden)

    2017-03-15

    NMR-spectroscopy enables unique experimental studies on protein dynamics at atomic resolution. In order to obtain a full atom view on protein dynamics, and to study specific local processes like ring-flips, proton-transfer, or tautomerization, one has to perform studies on amino-acid side chains. A key requirement for these studies is site-selective labeling with {sup 13}C and/or {sup 1}H, which is achieved in the most general way by using site-selectively {sup 13}C-enriched glucose (1- and 2-{sup 13}C) as the carbon source in bacterial expression systems. Using this strategy, multiple sites in side chains, including aromatics, become site-selectively labeled and suitable for relaxation studies. Here we systematically investigate the use of site-selectively {sup 13}C-enriched erythrose (1-, 2-, 3- and 4-{sup 13}C) as a suitable precursor for {sup 13}C labeled aromatic side chains. We quantify {sup 13}C incorporation in nearly all sites in all 20 amino acids and compare the results to glucose based labeling. In general the erythrose approach results in more selective labeling. While there is only a minor gain for phenylalanine and tyrosine side-chains, the {sup 13}C incorporation level for tryptophan is at least doubled. Additionally, the Phe ζ and Trp η2 positions become labeled. In the aliphatic side chains, labeling using erythrose yields isolated {sup 13}C labels for certain positions, like Ile β and His β, making these sites suitable for dynamics studies. Using erythrose instead of glucose as a source for site-selective {sup 13}C labeling enables unique or superior labeling for certain positions and is thereby expanding the toolbox for customized isotope labeling of amino-acid side-chains.

  17. Estimation of glucose carbon recycling in children with glycogen storage disease: A sup 13 C NMR study using (U- sup 13 C)glucose

    Energy Technology Data Exchange (ETDEWEB)

    Kalderon, B.; Korman, S.H.; Gutman, A.; Lapidot, A. (Weizmann Institute of Science, Rehovot (Israel))

    1989-06-01

    A stable isotope procedure to estimate hepatic glucose carbon recycling and thereby elucidate the mechanism by which glucose is produced in patients lacking glucose 6-phosphatase is described. A total of 10 studies was performed in children with glycogen storage disease type I (GSD-I) and type III (GSD-III) and control subjects. A primed dose-constant nasogastric infusion of D-(U-{sup 13}C)glucose or an infusion diluted with nonlabeled glucose solution was administered following different periods of fasting. Hepatic glucose carbon recycling was estimated from {sup 13}C NMR spectra. The values obtained for GSD-I patients coincided with the standard (U-{sup 13}C)glucose dilution curve. These results indicate that the plasma glucose of GSD-I subjects comprises only a mixture of 99% {sup 13}C-enriched D-(U-{sup 13}C)glucose and unlabeled glucose but lacks any recycled glucose. Significantly different glucose carbon recycling values were obtained for two GSD-III patients in comparison to GSD-I patients. The results eliminate a mechanism for glucose production in GSD-I children involving gluconeogenesis. However, glucose release by amylo-1,6-glucosidase activity would result in endogenous glucose production of non-{sup 13}C-labeled and nonrecycled glucose carbon, as was found in this study. In GSD-III patients gluconeogenesis is suggested as the major route for endogenous glucose synthesis. The contribution of the triose-phosphate pathway in these patients has been determined.

  18. /sup 13/C-NMR studies of selectively carboxymethylated (methyl-/sup 13/C)methionine-labeled bacterial dihydrofolate reductase. [Streptococcus faecium

    Energy Technology Data Exchange (ETDEWEB)

    London, R.E.; Wageman, W.E.; Blakley, R.L.

    1983-08-01

    The /sup 13/C-labeled Streptococcus faecium enzyme was prepared under relatively mild conditions for NMR studies by reaction of unlabeled iodoacetate with the enzyme containing biosynthetically incorporated (methyl-/sup 13/C)methionine. The compound produced by this unique strategy was used as a part of a continuing study of the enzyme dihydrofolate reductase. The NMR studies provided assignment of resonance data for two of the methionine residues. Additionally, the specificity of the carboxymethylation provides a useful basis for resonance assignment.

  19. Synthesis of {sup 14}C-labeled levamisole and {sup 13}C-labeled tetramisole

    Energy Technology Data Exchange (ETDEWEB)

    Feil, V.J. [US Department of Agriculture, Agricultural Research Service, Biosciences Research Lab., Fargo, ND (United States)

    1996-12-01

    The syntheses of {sup 14}C-ring labeled levamisole ([-]-2,3,5,6-tetrahydro-6-phenyl [{sup 14}C]-UL imidazo[2,1-b]thiazole) from acetophenone-ring-UL-{sup 14}C in 5 steps plus resolution with a 7.5% overall yield, and {sup 13}C{sub 6}-ring labeled tetramisole ([{+-}]-2,3,5,6-tetrahydro-6-phenyl [{sup 13}C{sub 6}]imidazo[2,1-b]thiazole) from benzene-{sup 13}C{sub 6} in 6 steps with a 9.0% overall yield are described. (author).

  20. Morphological study of chitin from Xiphopenaeus kroyeri exoskeletons by using atomic force microscopy (AFM) and CPMAS {sup 13} C NMR; Estudo morfologico de quitina da exocuticula de Xiphopenaeus kroyeri por AFM e por CPMAS {sup 13} C NMR

    Energy Technology Data Exchange (ETDEWEB)

    Silva, K.M.; Tavares, M.I.; Andrade, C.T. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Macromoleculas; Simao, R.A. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Metalurgica e de Materiais

    1999-07-01

    A sample of {alpha} chitin was isolated from exoskeletons of Xiphopenaeus kroyeri. This sample ws dissolved in phosphoric acid and recovered as a fibrous precipitate. Atomic force microscopy was used in noncontact mode to obtain images of the native chitin sample. Different morphological features were observed, including rigid rod crystals 200-300 nm wide. Solid state {sup 13} C NMR techniques were used to investigate chitin samples, and revealed molecular order in both samples. The differences observed in the proton spin-lattice relaxation times in the rotating frame, T{sup H1}{sub p} were attributed to the formation of hydrogen bonds in preferential sites in the samples. (author)

  1. CACA-TOCSY with alternate {sup 13}C-{sup 12}C labeling: a {sup 13}C{sup {alpha}} direct detection experiment for mainchain resonance assignment, dihedral angle information, and amino acid type identification

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Koh [National Institute of Advanced Industrial Science and Technology (AIST), Biomedicinal Information Research Center (BIRC) (Japan); Frueh, Dominique P.; Sun, Zhen-Yu J.; Hiller, Sebastian; Wagner, Gerhard, E-mail: gerhard_wagner@hms.harvard.ed [Harvard Medical School, Department of Biological Chemistry and Molecular Pharmacology (United States)

    2010-05-15

    We present a {sup 13}C direct detection CACA-TOCSY experiment for samples with alternate {sup 13}C-{sup 12}C labeling. It provides inter-residue correlations between {sup 13}C{sup {alpha}} resonances of residue i and adjacent C{sup {alpha}s} at positions i - 1 and i + 1. Furthermore, longer mixing times yield correlations to C{sup {alpha}} nuclei separated by more than one residue. The experiment also provides C{sup {alpha}}-to-side chain correlations, some amino acid type identifications and estimates for {psi} dihedral angles. The power of the experiment derives from the alternate {sup 13}C-{sup 12}C labeling with [1,3-{sup 13}C] glycerol or [2-{sup 13}C] glycerol, which allows utilizing the small scalar {sup 3}J{sub CC} couplings that are masked by strong {sup 1}J{sub CC} couplings in uniformly {sup 13}C labeled samples.

  2. Histidine side-chain dynamics and protonation monitored by {sup 13}C CPMG NMR relaxation dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Hass, Mathias A. S. [Leiden University, Institute of Chemistry (Netherlands); Yilmaz, Ali [University of Copenhagen, Department of Medicinal Chemistry, Faculty of Pharmaceutical Sciences (Denmark); Christensen, Hans E. M. [Technical University of Denmark, Department of Chemistry (Denmark); Led, Jens J. [University of Copenhagen, Department of Chemistry (Denmark)], E-mail: led@kiku.dk

    2009-08-15

    The use of {sup 13}C NMR relaxation dispersion experiments to monitor micro-millisecond fluctuations in the protonation states of histidine residues in proteins is investigated. To illustrate the approach, measurements on three specifically {sup 13}C labeled histidine residues in plastocyanin (PCu) from Anabaena variabilis (A.v.) are presented. Significant Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion is observed for {sup 13}C{sup {epsilon}}{sup 1} nuclei in the histidine imidazole rings of A.v. PCu. The chemical shift changes obtained from the CPMG dispersion data are in good agreement with those obtained from the chemical shift titration experiments, and the CPMG derived exchange rates agree with those obtained previously from {sup 15}N backbone relaxation measurements. Compared to measurements of backbone nuclei, {sup 13}C{sup {epsilon}}{sup 1} dispersion provides a more direct method to monitor interchanging protonation states or other kinds of conformational changes of histidine side chains or their environment. Advantages and shortcomings of using the {sup 13}C{sup {epsilon}}{sup 1} dispersion experiments in combination with chemical shift titration experiments to obtain information on exchange dynamics of the histidine side chains are discussed.

  3. lambda. -. cap alpha. interaction and structure of hypernucleus /sub. lambda. //sup 13/C

    Energy Technology Data Exchange (ETDEWEB)

    Kong Lingjiang; Mo Dungoug; Liu Xianhui

    1985-02-01

    Using the phenemenological ..lambda..-..cap alpha.. interaction potential and ..cap alpha..-independent particle model of core nucleus /sup 12/C, the energies of the ground state and the first excited state of hypernucleus /sub ..lambda..//sup 13/C are calculated in the frame of resonance group method. Similarly using the empirical ..lambda..-N potential and the single particle shell model, the spectra of /sub ..lambda..//sub 13/C are calculated. Then the structure of /sub ..lambda..//sup 13/C is analyzed and discussed.

  4. Monitoring electrochemical reactions in situ using steady-state free precession {sup 13}C NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, Luiza M.S. [Instituto de Química de São Carlos, Universidade de São Paulo, Avenida Trabalhador São-Carlense 400, São Carlos, São Paulo 13560-070 (Brazil); Embrapa Instrumentação, Rua XV de Novembro 1452, São Carlos, São Paulo 13560-970 (Brazil); Moraes, Tiago B. [Embrapa Instrumentação, Rua XV de Novembro 1452, São Carlos, São Paulo 13560-970 (Brazil); Instituto de Física de São Carlos, Universidade de São Paulo, Avenida Trabalhador São-Carlense 400, São Carlos, São Paulo 13566-590 (Brazil); Barbosa, Lucio L. [Departamento de Química, Universidade Federal do Espírito Santo, Avenida Fernando Ferrari 514, Vitória, Espírito Santo 29075-910 (Brazil); Mazo, Luiz H. [Instituto de Química de São Carlos, Universidade de São Paulo, Avenida Trabalhador São-Carlense 400, São Carlos, São Paulo 13560-070 (Brazil); and others

    2014-11-19

    Highlights: • Analysis of electrochemical reaction in situ by 13C NMR spectroscopy was demonstrated. • {sup 13}C NMR signals are obtained in few minutes, using steady-state free precession (SSFP) pulse sequence. • The analysis is performed in standard NMR spectrometer. • KBDM can be an alternative to Fourier Transform to process SSFP signal. - Abstract: All attempts to use in situ{sup 13}C NMR in spectroelectrochemical studies, using static cells and unlabeled substrates, have failed due to the very long average time (several hours). In this paper, we demonstrated that steady-state free precession (SSFP) pulse sequence can enhance signal to noise ratio and reduces the average time of {sup 13}C NMR signals by more than one order of magnitude. The results showed that each {sup 13}C NMR spectrum during the electrochemical reduction of 9-chloroanthracene, in a static cell, can be acquired in eleven minutes. This short averaging time allowed the analysis of the reaction every 30 min during 3 h. The phase and truncation anomalies present in SSFP spectra were minimized using Traff apodization function and Krylov basis diagonalization method (KBDM)

  5. Phenyl galactopyranosides – {sup 13}C CPMAS NMR and conformational analysis using genetic algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Wałejko, Piotr, E-mail: pwalejko@uwb.edu.pl [University of Bialystok, Institute of Chemistry, Pilsudskiego 11/4, 15-443 Bialystok (Poland); Paradowska, Katarzyna, E-mail: katarzyna.paradowska@wum.edu.pl [Medical University of Warsaw, Faculty of Pharmacy, Department of Physical Chemistry, Banacha 1, 02-097 Warsaw (Poland); Bukowicki, Jarosław [Medical University of Warsaw, Faculty of Pharmacy, Department of Physical Chemistry, Banacha 1, 02-097 Warsaw (Poland); Witkowski, Stanisław [University of Bialystok, Institute of Chemistry, Pilsudskiego 11/4, 15-443 Bialystok (Poland); Wawer, Iwona [Medical University of Warsaw, Faculty of Pharmacy, Department of Physical Chemistry, Banacha 1, 02-097 Warsaw (Poland)

    2015-08-18

    Highlights: • The structures of phenyl galactosides were studied by {sup 13}C CPMAS NMR. • The GAAGS method was used in conformational analysis of phenyl galactosides. • The rotation of the aglycone was investigated. • {sup 13}C CPMAS NMR supported by GIAO DFT calculations was used as a verification method. - Abstract: Structural analyses of four compounds (phenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside (1), phenyl β-D-galactopyranoside (2), phenyl 2,3,4,6-tetra-O-acetyl-α-D-galactopyranoside (3) and phenyl α-D-galactopyranoside (4)) have been performed using solid-state {sup 13}C MAS NMR spectroscopy and theoretical methods. Conformational analysis involved grid search and genetic algorithm (GAAGS). Low-energy conformers found by GAAGS were further optimized by DFT and chemical shifts were calculated using GIAO/DFT approach. {sup 13}C CPMAS NMR chemical shift of carbon C2 is indicative of the glycoside torsional angle. Separated or merged resonances of C2 and C6 suggest free rotation of phenyl ring in the solid phase.

  6. Sequential nearest-neighbor effects on computed {sup 13}C{sup {alpha}} chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Vila, Jorge A. [Cornell University, Baker Laboratory of Chemistry and Chemical Biology (United States); Serrano, Pedro; Wuethrich, Kurt [The Scripps Research Institute, Department of Molecular Biology (United States); Scheraga, Harold A., E-mail: has5@cornell.ed [Cornell University, Baker Laboratory of Chemistry and Chemical Biology (United States)

    2010-09-15

    To evaluate sequential nearest-neighbor effects on quantum-chemical calculations of {sup 13}C{sup {alpha}} chemical shifts, we selected the structure of the nucleic acid binding (NAB) protein from the SARS coronavirus determined by NMR in solution (PDB id 2K87). NAB is a 116-residue {alpha}/{beta} protein, which contains 9 prolines and has 50% of its residues located in loops and turns. Overall, the results presented here show that sizeable nearest-neighbor effects are seen only for residues preceding proline, where Pro introduces an overestimation, on average, of 1.73 ppm in the computed {sup 13}C{sup {alpha}} chemical shifts. A new ensemble of 20 conformers representing the NMR structure of the NAB, which was calculated with an input containing backbone torsion angle constraints derived from the theoretical {sup 13}C{sup {alpha}} chemical shifts as supplementary data to the NOE distance constraints, exhibits very similar topology and comparable agreement with the NOE constraints as the published NMR structure. However, the two structures differ in the patterns of differences between observed and computed {sup 13}C{sup {alpha}} chemical shifts, {Delta}{sub ca,i}, for the individual residues along the sequence. This indicates that the {Delta}{sub ca,i} -values for the NAB protein are primarily a consequence of the limited sampling by the bundles of 20 conformers used, as in common practice, to represent the two NMR structures, rather than of local flaws in the structures.

  7. Carbon geochemistry of marine-derived brines: I. sup 13 C depletions due to intense photosynthesis

    Energy Technology Data Exchange (ETDEWEB)

    Lazar, B. (Hebrew Univ., Elat (Israel)); Erez, J. (Hebrew Univ., Jerusalem (Israel))

    1992-01-01

    The study was conducted in the evaporation pans of a solar salt production plant (simulated sabkha environment) in which ca. 50% of the evaporation area is dominated by microbial mat communities (MMC). MMC are the modern equivalents of fossil stromatolites as old as Early Archean; hence, investigation is relevant to the research of the ancient carbon cycle. Total dissolved CO{sub 2} (C(T)) decreases by ca. 50% of its original value as brine concentration increases from 1.5 to 4 times mean seawater. Roughly 70% of the original total alkalinity is precipitated as calcium carbonate at this salinity range. The relations between total alkalinity A(T) and C(T) (both normalized to salinity) suggest that the brines are depleted in C(T) by up to 50% with respect to equilibrium with atmospheric CO{sub 2}. This large C(T) deficit is driven by the intense photosynthetic activity of the MMC. Considerable depletion in {sup 13}C was observed despite the photosynthetic activity which normally causes a {sup 13}C enrichment of C(T). {delta}{sup 13}C(T) values down to {minus}9{per thousand} were observed in brine concentration range of 2 to 6 times mean seawater. Mass balance calculation is compatible with the suggested mechanism of chemically enhanced atmospheric invasion of {sup 12}C enriched CO{sub 2}. This kinetic isotope fractionation may serve as an alternative explanation to that of fresh water runoff for some negative {delta}{sup 13}C values of laminated carbonates from evaporitic sections found in the geological record. In addition, at least part of the large scatter observed in the {delta}{sup 13}C vs. age curve for carbonates and organic matter from Precambrian stromatolitic environments may be explained by this mechanism rather than by late metamorphism and maturation processes.

  8. Quantitative analysis of deuterium using the isotopic effect on quaternary {sup 13}C NMR chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Darwish, Tamim A., E-mail: tamim.darwish@ansto.gov.au [National Deuteration Facility, Australian Nuclear Science and Technology Organisation, Locked Bag 21, Kirrawee DC, NSW 2232 (Australia); Yepuri, Nageshwar Rao; Holden, Peter J. [National Deuteration Facility, Australian Nuclear Science and Technology Organisation, Locked Bag 21, Kirrawee DC, NSW 2232 (Australia); James, Michael [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2016-07-13

    Quantitative analysis of specifically deuterated compounds can be achieved by a number of conventional methods, such as mass spectroscopy, or by quantifying the residual {sup 1}H NMR signals compared to signals from internal standards. However, site specific quantification using these methods becomes challenging when dealing with non-specifically or randomly deuterated compounds that are produced by metal catalyzed hydrothermal reactions in D{sub 2}O, one of the most convenient deuteration methods. In this study, deuterium-induced NMR isotope shifts of quaternary {sup 13}C resonances neighboring deuterated sites have been utilized to quantify the degree of isotope labeling of molecular sites in non-specifically deuterated molecules. By probing {sup 13}C NMR signals while decoupling both proton and deuterium nuclei, it is possible to resolve {sup 13}C resonances of the different isotopologues based on the isotopic shifts and the degree of deuteration of the carbon atoms. We demonstrate that in different isotopologues, the same quaternary carbon, neighboring partially deuterated carbon atoms, are affected to an equal extent by relaxation. Decoupling both nuclei ({sup 1}H, {sup 2}H) resolves closely separated quaternary {sup 13}C signals of the different isotopologues, and allows their accurate integration and quantification under short relaxation delays (D1 = 1 s) and hence fast accumulative spectral acquisition. We have performed a number of approaches to quantify the deuterium content at different specific sites to demonstrate a convenient and generic analysis method for use in randomly deuterated molecules, or in cases of specifically deuterated molecules where back-exchange processes may take place during work up. - Graphical abstract: The relative intensities of quaternary {sup 13}C {"1H,"2H} resonances are equal despite the different relaxation delays, allowing the relative abundance of the different deuterated isotopologues to be calculated using NMR fast

  9. Structure of /sup 13/C studied by pion scattering near the (3,3) resonance

    Energy Technology Data Exchange (ETDEWEB)

    Seestrom-Morris, S.J.

    1981-09-01

    Good resolution (..pi../sup +/,..pi../sup +/') and (..pi../sup -/,..pi../sup -/') data were obtained for many states in /sup 13/C using the Energetic Pion Channel and Spectrometer at the Los Alamos Meson Physics Facility. Differential cross sections were measured for angles between 20/sup 0/ and 105/sup 0/ at an incident pion energy of 162 MeV for the elastic scattering as well as for states at excitation energies of 3.09, 3.68, 3.85, 7.55, 8.86, 9.5, 11.82, 16.05, 17.92, 21.37, and 21.6 MeV. Excitation functions were measured at momentum transfers of q = 1.1 h fm /sup -1/ and q = 1.4 h fm/sup -1/, for energies between 100 and 300 MeV. A sigma(..pi../sup -/)/sigma(..pi../sup +/) ratio of 9:1 was observed for the first time, indicating a pure neutron particle-hole excitation of a high spin state (J/sup ..pi../ = 9/2/sup +/). Strikingly different energy dependences were found for ..delta..S = 0 and ..delta..S = 1 transitions. Data for all states were compared with the microscopic model calculations of Lee and Kurath. Very good agreement was found between experiment and theory for the strongly excited states and the 9/2/sup +/ state at 9.5 MeV, in sharp contrast to the disagreement for weak transitions. The excitation function data and comparisons with the microscopic model calculations were used to identify the states at 16.05, 17.92, 21.37, and 21.6 MeV as either 7/2/sup +/ or 9/2/sup +/ states. The elastic scattering data were analyzed with an optical modeland the results were found to be consistent with neutron and proton distributions having equal rms radii. The optical potentials generated were used in a collective model analysis of the 3/2/sup -/ (3.68 MeV) and 5/2/sup -/ (7.55 MeV) states. The reduced transition probabilities (B(E2)) derived from the proton parts of the transition strength are in agreement with those determined from electromagnetic measurements.

  10. Quantitative measurement of exchange dynamics in proteins via {sup 13}C relaxation dispersion of {sup 13}CHD{sub 2}-labeled samples

    Energy Technology Data Exchange (ETDEWEB)

    Rennella, Enrico; Schuetz, Anne K.; Kay, Lewis E., E-mail: kay@pound.med.utoronto.ca [University of Toronto, Departments of Molecular Genetics, Biochemistry and Chemistry (Canada)

    2016-06-15

    Methyl groups have emerged as powerful probes of protein dynamics with timescales from picoseconds to seconds. Typically, studies involving high molecular weight complexes exploit {sup 13}CH{sub 3}- or {sup 13}CHD{sub 2}-labeling in otherwise highly deuterated proteins. The {sup 13}CHD{sub 2} label offers the unique advantage of providing {sup 13}C, {sup 1}H and {sup 2}H spin probes, however a disadvantage has been the lack of an experiment to record {sup 13}C Carr–Purcell–Meiboom–Gill relaxation dispersion that monitors millisecond time-scale dynamics, implicated in a wide range of biological processes. Herein we develop an experiment that eliminates artifacts that would normally result from the scalar coupling between {sup 13}C and {sup 2}H spins that has limited applications in the past. The utility of the approach is established with a number of applications, including measurement of ms dynamics of a disease mutant of a 320 kDa p97 complex.

  11. Synthesis of (5,6-/sup 13/C/sub 2/, 1-/sup 14/C)olivetolic acid, methyl (1'-/sup 13/C)olivetolate and (5,6-/sup 13/C/sub 2/, 1-/sup 14/C)cannabigerolic acid

    Energy Technology Data Exchange (ETDEWEB)

    Porwoll, J.P.; Leete, E. (Minnesota Univ., Minneapolis (USA). Dept. of Chemistry)

    1985-03-01

    Potential advanced intermediates in the biosynthesis of delta/sup 9/-tetrahydrocannabinol, the major psychoactive principle of marijuana, have been synthesized labeled with two contiguous /sup 13/C atoms and /sup 14/C. Methyl (5,6-/sup 13/C/sub 2/, 1-/sup 14/C)olivetolate was prepared from lithium (/sup 13/C/sub 2/)acetylide and dimethyl (2-/sup 14/C)malonate. Reaction with geranyl bromide afforded methyl (5,6-/sup 13/C/sub 2/, 1-/sup 14/C)cannabigerolate, and hydrolysis of these methyl esters with lithium propyl mercaptide yielded the corresponding labeled acids. The /sup 13/C-/sup 13/C couplings observable in the /sup 13/C NMR spectra of these /sup 13/C-enriched compounds and their synthetic precursors are recorded. Methyl (1'-/sup 14/C)olivetolate was prepared from /sup 13/CO/sub 2/ to confirm assignments of the /sup 13/C chemical shifts in the pentyl side chain of these compounds.

  12. Use of solid waste for chemical stabilization: Adsorption isotherms and {sup 13}C solid-state NMR study of hazardous organic compounds sorbed on coal fly ash

    Energy Technology Data Exchange (ETDEWEB)

    Netzel, D.A.; Lane, D.C.; Rovani, J.F.; Cox, J.D.; Clark, J.A.; Miknis, F.P.

    1993-09-01

    Adsorption of hazardous organic compounds on the Dave Johnston plant fly ash is described. Fly ash from Dave Johnston and Laramie River power plants were characterized using elemental, x-ray, and {sup 29}Si NMR; the Dave Johnston (DJ) fly ash had higher quartz contents, while the Laramie River fly ash had more monomeric silicate anions. Adsorption data for hydroaromatics and chlorobenzenes indicate that the adsorption capacity of DJ coal fly ash is much less than that of activated carbon by a factor of >3000; but it is needed to confirm that solid-gas and solid-liquid equilibrium isotherms can indeed be compared. However, for pyridine, pentachlorophenol, naphthalene, and 1,1,2,2-tetrachloroethane, the DJ fly ash appears to adsorb these compounds nearly as well as activated carbon. {sup 13}C NMR was used to study the adsorption of hazardous org. cpds on coal fly ash; the nuclear spin relaxation times often were very long, resulting in long experimental times to obtain a spectrum. Using a jumbo probe, low concentrations of some hazardous org. cpds could be detected; for pentachlorophenol adsorbed onto fly ash, the chemical shift of the phenolic carbon was changed. Use of NMR to study the adsorption needs further study.

  13. {sup 13}C-NMR studies on disulfide bond isomerization in bovine pancreatic trypsin inhibitor (BPTI)

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Mitsuhiro [Kumamoto University, Department of Structural BioImaging, Faculty of Life Sciences (Japan); Miyanoiri, Yohei [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan); Terauchi, Tsutomu [Tokyo Metropolitan University, Graduate School of Science and Engineering (Japan); Kainosho, Masatsune, E-mail: kainosho@tmu.ac.jp [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan)

    2016-09-15

    Conformational isomerization of disulfide bonds is associated with the dynamics and thus the functional aspects of proteins. However, our understanding of the isomerization is limited by experimental difficulties in probing it. We explored the disulfide conformational isomerization of the Cys14–Cys38 disulfide bond in bovine pancreatic trypsin inhibitor (BPTI), by performing an NMR line-shape analysis of its Cys carbon peaks. In this approach, 1D {sup 13}C spectra were recorded at small temperature intervals for BPTI samples selectively labeled with site-specifically {sup 13}C-enriched Cys, and the recorded peaks were displayed in the order of the temperature after the spectral scales were normalized to a carbon peak. Over the profile of the line-shape, exchange broadening that altered with temperature was manifested for the carbon peaks of Cys14 and Cys38. The Cys14–Cys38 disulfide bond reportedly exists in equilibrium between a high-populated (M) and two low-populated states (m{sub c14} and m{sub c38}). Consistent with the three-site exchange model, biphasic exchange broadening arising from the two processes was observed for the peak of the Cys14 α-carbon. As the exchange broadening is maximized when the exchange rate equals the chemical shift difference in Hz between equilibrating sites, semi-quantitative information that was useful for establishing conditions for {sup 13}C relaxation dispersion experiments was obtained through the carbon line-shape profile. With respect to the m{sub c38} isomerization, the {sup 1}H-{sup 13}C signals at the β-position of the minor state were resolved from the major peaks and detected by exchange experiments at a low temperature.

  14. Synthesis of the [beta]-D-glucosyl ester of [carbonyl-[sup 13]C]-indole-3-acetic acid

    Energy Technology Data Exchange (ETDEWEB)

    Jakas, A.; Magnus, V. (Rudjer Boskovic Inst., Zagreb (Croatia)); Horvat, S.; Sandberg, G. (Swedish Univ. of Agricultural Sciences, Uppsala (Sweden))

    1993-10-01

    An efficient, operationally simple synthetic approach to 1-O-([carbonyl-[sup 13]C]-indole-3'-ylacetyl)-[beta]-D-glucopyranose is described. The synthesis was carried out by fusing a fully benzylated 1-O-glucosylpseudourea intermediate with [carbonyl-[sup 13]C]-indole-3-acetic acid, followed by hydrogenolytic removal of the protective groups. (Author).

  15. /sup 13/C NMR evidence of the slow exchange of tryptophans in dihydrofolate reductase between stable conformations

    Energy Technology Data Exchange (ETDEWEB)

    London, R.E. (Univ. of California, Los Alamos, NM); Groff, J.P.; Blakley, R.L.

    1979-01-01

    /sup 13/C NMR spectra are reported for dihydrofolate reductase of Streptococcus faecium labeled with (..gamma..-/sup 13/C)tryptophan. Two of the four tryptophans generate unusual resonances indicating slow exchange of the residues between alternative stable conformations. Since 3', 5'-dichloromethotrexate sharpens two of the resonances, it apparently locks the corresponding residues into one conformation.

  16. Turnover of carbon in the {sup 13}C-urea breath test for the detection of Helicobacter pylori infection

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Vladimir E.; Andreazzi, Mariana; Cury, Caio S.; Bassetto Junior, Carlos A.Z.; Rodrigues, Maria A.M.; Ducatti, Carlos, E-mail: vladimir@ibb.unesp.br, E-mail: ducatti@ibb.unesp.br, E-mail: mariana.andreazazi@gmail.com, E-mail: caiocury@hotmail.com, E-mail: juniorbassett@hotmail.com, E-mail: mariar@fmb.unesp.br [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Botucatu, SP (Brazil)

    2013-07-01

    To obtain a standard protocol for the application of {sup 13}C-urea breath test ({sup 13}C-UBT) analyzed by Isotope Ratio Mass Spectrometer (IRMS) to detect helicobacter pylori infection in the population is necessary to know the behavior of the turnover of {sup 13}C during the test in different individuals. The aims of this study was to find out a pattern for the turnover of the {sup 13}C in the {sup 13}C-UBT, analyzed by IRMS, in patients infected with H. pylori, in a Brazilian population, to define a protocol test application. We found that the isotopic ratio {sup 13}C/{sup 12}C in expired CO{sub 2} from patients infected with H. pylori and subjected to {sup 13}C-UBT does not follow a single pattern of behavior. However this behavior can be similar in subjects having the same maximum values following an inverse proportional relationship between the maximum value and the time of appearance in the curve. (author)

  17. Galactose oxidation using {sup 13}C in healthy and galactosemic children

    Energy Technology Data Exchange (ETDEWEB)

    Resende-Campanholi, D.R. [Departamento de Puericultura e Pediatria, Faculdade de Medicina de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, SP (Brazil); Porta, G. [Unidade de Hepatologia Pediátrica, Instituto da Criança Prof. Pedro de Alcântara, Faculdade de Medicina, Universidade de São Paulo, São Paulo, SP (Brazil); Ferrioli, E.; Pfrimer, K. [Departamento de Clínica Médica, Faculdade de Medicina de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, SP (Brazil); Ciampo, L.A. Del; Junior, J.S. Camelo [Departamento de Puericultura e Pediatria, Faculdade de Medicina de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, SP (Brazil)

    2015-01-20

    Galactosemia is an inborn error of galactose metabolism that occurs mainly as the outcome of galactose-1-phosphate uridyltransferase (GALT) deficiency. The ability to assess galactose oxidation following administration of a galactose-labeled isotope (1-{sup 13}C-galactose) allows the determination of galactose metabolism in a practical manner. We aimed to assess the level of galactose oxidation in both healthy and galactosemic Brazilian children. Twenty-one healthy children and seven children with galactosemia ranging from 1 to 7 years of age were studied. A breath test was used to quantitate {sup 13}CO{sub 2} enrichment in exhaled air before and at 30, 60, and 120 min after the oral administration of 7 mg/kg of an aqueous solution of 1-{sup 13}C-galactose to all children. The molar ratios of {sup 13}CO{sub 2} and {sup 12}CO{sub 2} were quantified by the mass/charge ratio (m/z) of stable isotopes in each air sample by gas-isotope-ratio mass spectrometry. In sick children, the cumulative percentage of {sup 13}C from labeled galactose (CUMPCD) in the exhaled air ranged from 0.03% at 30 min to 1.67% at 120 min. In contrast, healthy subjects showed a much broader range in CUMPCD, with values from 0.4% at 30 min to 5.58% at 120 min. The study found a significant difference in galactose oxidation between children with and without galactosemia, demonstrating that the breath test is useful in discriminating children with GALT deficiencies.

  18. Occurrence, biological activities and {sup 13}C NMR data of amides from Piper (Piperaceae)

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Jeferson C. do; Paula, Vanderlucia F. de [Universidade Estadual do Sudoeste da Bahia, Jequie, BA (Brazil). Dept. de Quimica e Exatas; David, Jorge M. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; David, Juceni P., E-mail: jmdavid@ufba.br [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Fac. de Farmacia

    2012-07-01

    This manuscript describes an update review with up to 285 references concerning the occurrence of amides from a variety of species of the genus Piper (Piperaceae). Besides addressing occurrence, this review also describes the biological activities attributed to extracts and pure compounds, a compiled {sup 13}C NMR data set, the main correlations between structural and NMR spectroscopic data of these compounds, and employment of hyphened techniques such as LC-MS, GC-MS and NMR for analysis of amides from biological samples and crude Piper extracts. (author)

  19. Preparation of /sup 14/C, /sup 35/S and /sup 13/C labelled forms of omeprazole

    Energy Technology Data Exchange (ETDEWEB)

    Crowe, A.M.; Ife, R.J.; Mitchell, M.B.; Saunders, D.

    1986-01-01

    The syntheses of (benzimidazole-2- /sup 14/C)omeprazole, (benzimidazole-2-/sup 13/C)omeprazole, (/sup 35/S)omeprazole and (2-pyridyl- /sup 14/C-methyl)-omeprazole are described. The first three compounds were prepared from the appropriate isotopically labelled carbon disulphide. The key step in the synthesis of (2-pyridyl- /sup 14/C-methyl)omeprazole is nucleophilic alkylation of a l-ethoxypyridinium salt using (/sup 14/C)methyl magnesium idodide. This is the first time that a reaction of this type has been used to prepare a 2-(methyl-/sup 14/C)methylpyridine.

  20. Investigations on the isoprenoid biosynthesis in the green alga Scenedesmus obliquus by using the {sup 13}C-labelling technique; Untersuchungen zur Biosynthese der Isoprenoide bei der Gruenalge Scenedesmus obliquus mittels {sup 13}C-Isotopenmarkierung

    Energy Technology Data Exchange (ETDEWEB)

    Schwender, J.

    1995-12-31

    The biosynthesis of several prenyllipids (isoprenoid lipids) of the green alga Scendesmus obliquus was investigated. The aim was to verify, whether the biosynthesis of isopentenyl diphosphate (IPP) in Scenedesmus proceeds according to the classical acetate mevalonate pathway or to an alternative pathway. An alternative pathway for IPP formation has recently been detected in some eubacteria by the group of Prof. M. Rohmer. Some inhibition tests were performed with mevinolin, a specific inhibitor of HMG-CoA reductase which yields mevalonic acid. Mevinolin should block the biosynthesis of such isoprenoids which are formed via the acetate mevalonate pathway. Scenedesmus was grown heterotrophically on {sup 13}C-labelled glucose or acetate. After isolation and purification of {sup 13}C-labelled phytol (side chains of chlorophylls), {beta}-carotene, lutein, plastoquinone-9 and three sterol compounds, the enrichment of {sup 13}C at different carbon-positions of the labelled compounds was determined. This was achieved by the {sup 13}C-NMR technique in cooperation with Miriam Seemann of the group of Prof. M. Rohmer in Mullhouse/France. (orig.) [Deutsch] Die Biosynthese verschiedener Isoprenoide und Prenyllipide der Gruenalge Scenedesmus obliquus wurde mittels eines Hemmtests und mittels spezifischen {sup 13}C-Markierungsexperimenten und NMR-Analysen untersucht. Es wurde in Sterilkulturen geprueft, ob der neue bakterielle Biosyntheseweg des Isopentenylpyrosphosphat (IPP), der nach Rohmer et al. bei einigen Eubakterien vorhanden ist und nicht ueber den klassischen Acetal-Mevalonat-Weg verlaeuft, bei Scenedesmus vorhanden ist. Zunaechst wurde mit Mevinolin, einem spezifischer Hemmstoff der HMG-CoA-Reduktase, versucht, das Wachstum oder die Isoprenoidbiosynthese einer autotroph wachsenden Scenedesmus-Kultur zu hemmen. Ausserdem wurden Medien entwickelt, mit denen Scenedesmus auf Glucose und auf Acetat heterotroph und ohne Hefeextrakt wachsen kann, um eine moeglichst effiziente

  1. Uniformly sup 13 C-labeled algal protein used to determine amino acid essentiality in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Berthold, H.K.; Hachey, D.L.; Reeds, P.J.; Klein, P.D. (Baylor Coll. of Medicine, Houston, TX (United States)); Thomas, O.P. (Univ. of Maryland, College Park (United States)); Hoeksema, S. (Martek Corp., Columbia, MD (United States))

    1991-09-15

    The edible alga Spirulina platensis was uniformly labeled with {sup 13}C by growth in an atmosphere of pure {sup 13}CO{sub 2}. The labeled biomass was then incorporated into the diet of a laying hen for 27 days. The isotopic enrichment of individual amino acids in egg white and yolk proteins, as well as in various tissues of the hen at the end of the feeding period, was analyzed by negative chemical ionization gas chromatography/mass spectrometry. The amino acids of successive eggs showed one of two exclusive enrichment patterns: complete preservation of the intact carbon skeleton or extensive degradation and resynthesis. The same observation was made in tissue proteins. These patterns were cleanly divided according to known nutritional amino acid essentiality/nonessentiality but revealed differences in labeling among the nonessential amino acids: most notable was that proline accretion was derived entirely from the diet. Feeding uniformly {sup 13}C-labeled algal protein and recovering and analyzing de novo-synthesized protein provides a useful method to examine amino acid metabolism and determine conditional amino acid essentially in vivo.

  2. Dynamic nuclear spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Stuhrmann, H.B. [GKSS-Forschungszentrum Geesthacht GmbH (Germany)

    1996-11-01

    Polarized neutron scattering from dynamic polarized targets has been applied to various hydrogenous materials at different laboratories. In situ structures of macromolecular components have been determined by nuclear spin contrast variation with an unprecedented precision. The experiments of selective nuclear spin depolarisation not only opened a new dimension to structural studies but also revealed phenomena related to propagation of nuclear spin polarization and the interplay of nuclear polarisation with the electronic spin system. The observation of electron spin label dependent nuclear spin polarisation domains by NMR and polarized neutron scattering opens a way to generalize the method of nuclear spin contrast variation and most importantly it avoids precontrasting by specific deuteration. It also likely might tell us more about the mechanism of dynamic nuclear spin polarisation. (author) 4 figs., refs.

  3. The paper trail of the {sup 13}C of atmospheric CO{sub 2} since the industrial revolution period

    Energy Technology Data Exchange (ETDEWEB)

    Yakir, Dan, E-mail: dan.yakir@weizmann.ac.il [Environmental Sciences and Energy Research, Weizmann Institute of Science, Rehovot 76100 (Israel)

    2011-07-15

    The {sup 13}C concentration in atmospheric CO{sub 2} has been declining over the past 150 years as large quantities of {sup 13}C-depleted CO{sub 2} from fossil fuel burning are added to the atmosphere. Deforestation and other land use changes have also contributed to the trend. Looking at the {sup 13}C variations in the atmosphere and in annual growth rings of trees allows us to estimate CO{sub 2} uptake by land plants and the ocean, and assess the response of plants to climate. Here I show that the effects of the declining {sup 13}C trend in atmospheric CO{sub 2} are recorded in the isotopic composition of paper used in the printing industry, which provides a well-organized archive and integrated material derived from trees' cellulose. {sup 13}C analyses of paper from two European and two American publications showed, on average, a - 1.65 {+-} 1.00 per mille trend between 1880 and 2000, compared with - 1.45 and - 1.57 per mille for air and tree-ring analyses, respectively. The greater decrease in plant-derived {sup 13}C in the paper we tested than in the air is consistent with predicted global-scale increases in plant intrinsic water-use efficiency over the 20th century. Distinct deviations from the atmospheric trend were observed in both European and American publications immediately following the World War II period.

  4. Synthesis and quality control of {sup 13}C-enriched urea for Helicobacter pylori (HP) diagnosis

    Energy Technology Data Exchange (ETDEWEB)

    Sant Ana Filho, Carlos R.; Tavares, Claudineia R.O.; Ferreira, Andre V.; Prestes, Cleber V.; Bendassolli, Jose A., E-mail: jab@cena.usp.br [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil)

    2013-08-01

    The aim of the study was to synthesize the urea ({sup 13}CO(NH{sub 2}){sub 2}), with 99% {sup 13}C atoms, and to perform a quality analysis for the diagnosis (breath test) of Helicobacter pylori. Furthermore, the process was submitted to economic analysis. The reaction was performed in a stainless steel reactor, lined with polytetrafluoroethylene, under low pressure and temperature. The synthesis method was shown to be appropriate (2.35 g; 81.9% yield), evidenced by physico-chemical and microbiological results, according to Brazilian legislation. The production and diagnosis costs were competitive compared with national and international market values, rendering this a valuable tool in clinical medicine. (author)

  5. Neutron yield of thick {sup 12}C and {sup 13}C targets with 20 and 30 MeV deuterons

    Energy Technology Data Exchange (ETDEWEB)

    Lhersonneau, G.; Fadil, M. [GANIL, Caen (France); Malkiewicz, T. [CSC - IT Center for Science Ltd., Espoo (Finland); Gorelov, D.; Sorri, J.; Trzaska, W.H. [University of Jyvaskyla, Department of Physics, Jyvaskyla (Finland); Jones, P.; Ngcobo, P.Z. [iThemba Laboratory for Accelerator Based Science, Western Cape (South Africa)

    2016-12-15

    The neutron yield of thick targets of carbon, natural and enriched in {sup 13}C, bombarded by deuterons of 20 and 30 MeV has been measured by the activation method. The gain with respect to a {sup 12}C target is the same as with protons beams. The yield ratio is about 1.2 only and hardly can justify the use of a {sup 13}C target with deuteron beams. The data, apart from being of interest for the design of facilities where secondary neutron beams are used, provide a test case for calculations where both beam and target have a weakly bound neutron. The MCNPx code version 2.6.0, despite failing to reproduce some details of the experimental distributions, describes their global properties fairly well, especially the relative yields of the {sup 12}C and {sup 13}C targets. (orig.)

  6. Photoneutron cross sections measurements in {sup 13}C with thermal neutron capture gamma-rays

    Energy Technology Data Exchange (ETDEWEB)

    Semmler, Renato; Carbonari, Artur W.; Terremoto, Luis A.A. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)]. E-mails: rsemmler@ipen.br; carbonar@ipen.br; laaterre@ipen.br; Goncalez, Odair L. [Centro Tecnico Aeroespacial (CTA-IEAv), Sao Jose dos Campos, SP (Brazil). Inst. de Estudos Avancados]. E-mail: odairl@ieav.cta.br

    2007-07-01

    Photoneutrons cross sections measurements of {sup 13}C have been obtained in energy interval between 5,3 and 10,8 MeV, using neutron capture gamma-rays with high resolution in energy (3 - 21 eV), produced by 21 target materials, placed inside a tangential beam port, near the core of the IPEN/CNEN-SP IEA-R1 (2MW) research reactor. The sample have been irradiated inside a 4p geometry neutron detector system 'Long Counter', 520,5 cm away from the capture target. The capture gamma-ray flux was determined by means of the analysis of the gamma spectrum obtained by using a Ge(Li) solid-state detector (EG and G ORTEC, 25 cm{sup 3}, 5%), previously calibrated with capture gamma-rays from a standard target of Nitrogen (Melamine). The neutron photoproduction cross section has been measured for each target capture gamma-ray spectrum (compound cross section). A methodology for unfolding the set of experimental compound cross sections, have been used in order to obtain the cross sections at specific excitation energy values (principal gamma lines energies of the capture targets). The cross sections were compared with experimental data, reported by other authors, using different gamma-ray sources. A good agreement was observed between in this work and reported in the literature. (author)

  7. Study of lignin standard-substances type biphenyl by {sup 13} C NMR; Estudo de substancias-modelo de lignina do tipo bifenila, por RMN de {sup 13} C

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Marcia Alves; Drumond, Mariza Guimaraes; Veloso, Dorila Pilo [Minas Gerais Univ., Belo Horizonte, MG (Brazil). Dept. de Quimica

    1995-12-31

    Lignins structural study by NMR has utilized standard-substances spectral comparative analysis. This work has present relaxation time studies for lignin standard-substance, and {sup 13} C NMR chemical shift values were also shown and compared for several compounds. NMR spectra were commented besides experimental data analysis 2 figs., 4 tabs.

  8. Methodology for the identification of tri-terpenes mixtures components by {sup 13} C NMR; Metodologia para identificao dos componentes de misturas de triterpenos por RMN de {sup 13} C

    Energy Technology Data Exchange (ETDEWEB)

    Olea, Roberto S.G.

    1990-12-31

    This work describes a methodology for the identification of tri terpenes complex mixtures by {sup 13} C NMR. The use of {sup 13} C NMR techniques, such as obtention of noise decoupled spectra, DEPT 135 and DEPT 90 sequences, allowed the identification of components of triterpene mixtures with identical functionality through comparison of observed {sup 13} C NMR chemical shifts with {sup 13} C NMR chemical shifts reported in the literature. The method proved to be specially helpful in the identification of triterpenes by analysis of chemical shifts assignable to doubly bonded carbons, since the particular position of such double bonds is characteristic of some triterpene skeletons. Application of this methodology indicated the presence of bauerenol, {alpha}-amyrin and {beta}-amyrin in Acmanthera latifolis Griseb. (Malpighiaceae); of germanicone, lupenone, {alpha}-amyrenone and {beta}-amyrenone in Alibertia macrophylla A. Rich. (Rubiaceae); of {alpha}-amyrin acetate, lupeol acetate and {beta}-amyrin acetate in Vernonia polyanthes Schreb. (Asteraceae); {alpha}-amyrenone, {beta}-amyrenone, boehmerone, friedelin, lupenone, {alpha}-amyrin, {beta}-amyrin and glutinol in Scoparia dulcis L. (Scrophulariaceae). (author). 37 refs., 93 figs.

  9. Nuclear spins in nanostructures

    International Nuclear Information System (INIS)

    Coish, W.A.; Baugh, J.

    2009-01-01

    We review recent theoretical and experimental advances toward understanding the effects of nuclear spins in confined nanostructures. These systems, which include quantum dots, defect centers, and molecular magnets, are particularly interesting for their importance in quantum information processing devices, which aim to coherently manipulate single electron spins with high precision. On one hand, interactions between confined electron spins and a nuclear-spin environment provide a decoherence source for the electron, and on the other, a strong effective magnetic field that can be used to execute local coherent rotations. A great deal of effort has been directed toward understanding the details of the relevant decoherence processes and to find new methods to manipulate the coupled electron-nuclear system. A sequence of spectacular new results have provided understanding of spin-bath decoherence, nuclear spin diffusion, and preparation of the nuclear state through dynamic polarization and more general manipulation of the nuclear-spin density matrix through ''state narrowing.'' These results demonstrate the richness of this physical system and promise many new mysteries for the future. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  10. Determination of the {delta}{sup 13}C (per mille) isotopic rate of the Brazilian beer pilsen type; Determinacao da razao isotopica {delta}{sup 13}C (per mille) de cerveja clara tipo pilsen nacional

    Energy Technology Data Exchange (ETDEWEB)

    Rossete, Alexssandra L.R.M.; Bendassolli, Jose Albertino [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Isotopos Estaveis; Lopes, Fabio [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Ecologia Isotopica; Martinelli, Luiz Antonio [Universidade Estadual de Londrina, PR (Brazil). Dept. de Fisica. Lab. de Fisica Nuclear Aplicada

    2002-07-01

    Beer has been consumed in Brazil since the XIX century. However, at that time, this beverage was imported from England, and the first Brazilian breweries just appeared at the end of the XX century. Basically, beer is made from: malt of barley, Humulus lupulus, water and yeast. In this work, twenty brands of national beer (Pilsen type), and also two different cereals, barley, a C3 metabolism plant, corn, a C4 plant, were analysed to determine their isotope composition {delta}{sup 13} C (per mille) utilizing a mass spectrometer Delta Plus Finigam and Anca S.L. An aliquot of each sample was transferred using a capillary of glass to a tin capsule contends a small amount of sorbitol. The isotope compositions, {delta}{sup 13} C, of barley and corn samples determined were -27.2 and -11.5 per mille, respectively. These results were used to calculate the equation of mixture model. Considering the beer samples, the {delta}{sup 13} C ranged from -18.3 to -23.1 per mille; this result means that the percentage of C3 plant is from 43.3 to 73.9 per mille. In this manner, it is possible to concluded that all beer samples has malted cereals (C4 plant), as far as the low values of C3 plants were presented in these samples as shown through the equation of mixtures model. (author)

  11. Characterization of threonine side chain dynamics in an antifreeze protein using natural abundance {sup 13}C NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Daley, Margaret E.; Sykes, Brian D. [University of Alberta, Department of Biochemistry, CIHR Group in Protein Structure and Function and Protein Engineering Network of Centres of Excellence (Canada)

    2004-06-15

    The dynamics of threonine side chains of the Tenebrio molitor antifreeze protein (TmAFP) were investigated using natural abundance {sup 13}C NMR. In TmAFP, the array of threonine residues on one face of the protein is responsible for conferring its ability to bind crystalline ice and inhibit its growth. Heteronuclear longitudinal and transverse relaxation rates and the {sup 1}H-{sup 13}C NOE were determined in this study. The C{alpha}H relaxation measurements were compared to the previously measured {sup 15}N backbone parameters and these are found to be in agreement. For the analysis of the threonine side chain motions, the model of restricted rotational diffusion about the {chi}{sub 1} dihedral angle was employed [London and Avitabile (1978) J. Am. Chem. Soc., 100, 7159-7165]. We demonstrate that the motion experienced by the ice binding threonine side chains is highly restricted, with an approximate upper limit of less than {+-}25 deg.

  12. Complete {sup 1}H and {sup 13}C NMR structural assignments for a group of four goyazensolide-type furanoheliangolides

    Energy Technology Data Exchange (ETDEWEB)

    Soares, Ana Carolina Ferreira; Silva, Aline Nazare; Matos, Priscilla Mendonca; Silva, Eder Henrique da; Heleno, Vladimir Constantino Gomes [Universidade de Franca, Franca, SP (Brazil). Nucleo de Pesquisas em Ciencias Exatas e Tecnologicas; Lopes, Norberto Peporine; Lopes, Joao Luis Callegari [Universidade de Sao Paulo (FCFRP/USP), Ribeirao Preto, SP (Brazil). Fac. de Ciencias Farmaceuticas de Ribeirao Preto. Dept. de Quimica e Fisica; Sass, Daiane Cristina, E-mail: vheleno_05@yahoo.com.br [Universidade de Sao Paulo (FFCLRP/USP), Ribeirao Preto, SP (Brazil). Fac. de Filosofia, Ciencias e Letras de Ribeirao Preto. Dept. de Quimica

    2012-07-01

    Four goyazensolide-type sesquiterpene lactones - lychnofolide, centratherin, goyazensolide and goyazensolide acetate - were thoroughly studied by NMR experimental techniques. {sup 1}H NMR, {sup 13}C NMR {l_brace}{sup 1}H{r_brace}, COSY, HMQC, HMBC, J-res. and NOE experiments were performed to provide the needed structural information. Complete and unequivocal assignment, including the determination of all multiplicities, was obtained for each structure and the data collections are presented in tables (author)

  13. Characterization of bile acid metabolism in man using bile acids labeled with stable isotopes. [/sup 13/C

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, A.F. Klein, P.D.

    1977-01-01

    Bile acids labeled with stable isotopes in the steroid moiety can be used to characterize bile acid metabolism in man. Isotope dilution studies give information on pool size and input. Biotransformations are easily characterized. Stable isotopically labeled bile acids offer the advantage of freedom from radiation hazard, and also offer the possibility of monitoring all pools simultaneously, since all bile acids are separated by gas chromatography before isotope measurements are made. Further, since the proportion of the pool labeled with stable isotopes is greater than that achieved when radioactive isotopes are used, stable isotopes may permit isotope dilution studies to be done on serum samples in which the absolute concentration of bile acids is very low. A major disadvantage is the complex technology required for stable isotope measurement which often makes remote processing necessary. Bile acid labeled with /sup 13/C in the amino acid moiety, e.g. cholylglycine-1-/sup 13/C can be used for detection of increased bile acid deconjugation by intestinal bacteria, since the glycine-/sup 13/C, when liberated, is rapidly converted to /sup 13/CO/sub 2/, which is expired in breath. Bile acids labeled with stable isotopes may also be used for quantitation by inverse isotope dilution, but the technique is still in the development stage and seems unlikely to compete successfully with radioimmunoassay.

  14. High resolution 4D HPCH experiment for sequential assignment of {sup 13}C-labeled RNAs via phosphodiester backbone

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Saurabh; Stanek, Jan [University of Warsaw, Faculty of Chemistry, Biological and Chemical Research Centre (Poland); Cevec, Mirko; Plavec, Janez [National Institute of Chemistry, Slovenian NMR Centre (Slovenia); Koźmiński, Wiktor, E-mail: kozmin@chem.uw.edu.pl [University of Warsaw, Faculty of Chemistry, Biological and Chemical Research Centre (Poland)

    2015-11-15

    The three-dimensional structure determination of RNAs by NMR spectroscopy requires sequential resonance assignment, often hampered by assignment ambiguities and limited dispersion of {sup 1}H and {sup 13}C chemical shifts, especially of C4′/H4′. Here we present a novel through-bond 4D HPCH NMR experiment involving phosphate backbone where C4′–H4′ correlations are resolved along the {sup 1}H3′–{sup 31}P spectral planes. The experiment provides high peak resolution and effectively removes ambiguities encountered during assignments. Enhanced peak dispersion is provided by the inclusion of additional {sup 31}P and {sup 1}H3′ dimensions and constant-time evolution of chemical shifts. High spectral resolution is obtained by using non-uniform sampling in three indirect dimensions. The experiment fully utilizes the isotopic {sup 13}C-labeling with evolution of C4′ carbons. Band selective {sup 13}C inversion pulses are used to achieve selectivity and prevent signal dephasing due to the C4′–C3′ and C4′–C5′ homonuclear couplings. Multiple quantum line narrowing is employed to minimize sensitivity loses. The 4D HPCH experiment is verified and successfully applied to a non-coding 34-nt RNA consisting typical structure elements and a 14-nt RNA hairpin capped by cUUCGg tetraloop.

  15. The cerebral metabolism of amino acids and related metabolites as studied by {sup 13}C and {sup 14}C labelling

    Energy Technology Data Exchange (ETDEWEB)

    Hassel, B.

    1995-11-01

    The present investigations show the feasibility of analyzing the cerebral metabolism of amino acids and related metabolites by {sup 13}C-and {sup 14}C-labelling using labelled acetate and glucose as markers for glial and neuronal metabolism, respectively. Using [{sup 13}C]acetate, it was shown that glial cells export {approx}60% of their TCA cycle intermediates, mostly as glutamine, and that this glutamine is used by neurons partly as an energy reserve, and partly it is converted directly to glutamate and GABA. Using [{sup 13}C]glucose, the glial process or pyruvate carboxylation was shown to compensate fully for the loss of glutamine. The mechanism of action of two neurotoxins, fluorocitrate and 3-nitropropionate was elucidated. The latter toxin was shown to inhibit the TCA cycle of GABAergic neurons selectively. Formation of pyruvate and lactate from glial TCA cycle intermediates was demonstrated in vivo. This pathway may be important for glial inactivation of transmitter glutamate and GABA. The results illustrate glianeuronal interactions, and they suggest the applicability of {sup 13}CNMR spectroscopy to the detailed study of the cerebral metabolism of amino acids in the intact, unanesthetized human brain. 174 refs.

  16. Biosynthetic preparation of L-(/sup 13/C)- and (/sup 15/N)glutamate by Brevibacterium flavum

    Energy Technology Data Exchange (ETDEWEB)

    Walker, T.E.; London, R.E.

    1987-01-01

    The biosynthesis of isotopically labeled L-glutamic acid by the microorganism Brevibacterium flavum was studied with a variety of carbon-13-enriched precursors. The purpose of this study was twofold: (i) to develop techniques for the efficient preparation of labeled L-glutamate with a variety of useful labeling patterns which can be used for other metabolic studies, and (ii) to better understand the metabolic events leading to label scrambling in these strains. B. flavum, which is used commercially for the production of monosodium glutamate, has the capability of utilizing glucose or acetate as a sole carbon source, and important criterion from the standpoint of developing labeling strategies. Unfortunately, singly labeled glucose precursors lead to excessive isotopic dilution which reduces their usefulness. Studies with (3-/sup 13/C)pyruvate indicate that this problem can in principle be overcome by using labeled three-carbon precursors; however, conditions could not be found which would lead to an acceptable yield of isotopically labeled L-glutamate. In contrast, (1-/sup 13/C)- or (2-/sup 13/C)acetate provides relatively inexpensive, readily available precursors for the production of selectively labeled, high enriched L-glutamate. The preparation of L-(/sup 15/N)glutamate from (/sup 15/N)ammonium sulfate was carried out and is a very effective labeling strategy. Analysis of the isotopic distribution in labeled glutamate provides details about the metabolic pathways in these interesting organisms.

  17. Determinations of the {sup 12}C/{sup 13}C Ratio for the Secondary Stars of AE Aquarii, SS Cygni, and RU Pegasi

    Energy Technology Data Exchange (ETDEWEB)

    Harrison, Thomas E.; Marra, Rachel E., E-mail: tharriso@nmsu.edu, E-mail: rmarra@nmsu.edu [Department of Astronomy, New Mexico State University, Box 30001, MSC 4500, Las Cruces, NM 88003-8001 (United States)

    2017-07-10

    We present new moderate-resolution near-infrared spectroscopy of three CVs obtained using GNIRS on Gemini-North. These spectra covered three {sup 13}CO bandheads found in the K -band, allowing us to derive the isotopic abundance ratios for carbon. We find small {sup 12}C/{sup 13}C ratios for all three donor stars. In addition, these three objects show carbon deficits, with AE Aqr being the most extreme ([C/Fe] = −1.4). This result confirms the conjecture that the donor stars in some long-period CVs have undergone considerable nuclear evolution prior to becoming semi-contact binaries. In addition to the results for carbon, we find that the abundance of sodium is enhanced in these three objects, and the secondary stars in both RU Peg and SS Cyg suffer magnesium deficits. Explaining such anomalies appears to require higher mass progenitors than commonly assumed for the donor stars of CVs.

  18. Nuclear spin pumping and electron spin susceptibilities

    NARCIS (Netherlands)

    Danon, J.; Nazarov, Y.V.

    2011-01-01

    In this work we present a new formalism to evaluate the nuclear spin dynamics driven by hyperfine interaction with nonequilibrium electron spins. To describe the dynamics up to second order in the hyperfine coupling it suffices to evaluate the susceptibility and fluctuations of the electron spin.

  19. HNCA-TOCSY-CANH experiments with alternate {sup 13}C-{sup 12}C labeling: a set of 3D experiment with unique supra-sequential information for mainchain resonance assignment

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Koh; Gal, Maayan [Harvard Medical School, Department of Biochemistry and Molecular Pharmacology (United States); Takahashi, Hideo; Shimada, Ichio [National Institute of Advanced Industrial Science and Technology, Biomedicinal Information Research Center (Japan); Wagner, Gerhard, E-mail: gerhard_wagner@hms.harvard.edu [Harvard Medical School, Department of Biochemistry and Molecular Pharmacology (United States)

    2011-01-15

    Described here is a set of three-dimensional (3D) NMR experiments that rely on CACA-TOCSY magnetization transfer via the weak {sup 3}J(C{sub {alpha}}C{sub {alpha}}) coupling. These pulse sequences, which resemble recently described {sup 13}C detected CACA-TOCSY (Takeuchi et al. 2010) experiments, are recorded in {sup 1}H{sub 2}O, and use {sup 1}H excitation and detection. These experiments require alternate {sup 13}C-{sup 12}C labeling together with perdeuteration, which allows utilizing the small {sup 3}J(C{sub {alpha}}C{sub {alpha}}) scalar coupling that is otherwise masked by the stronger {sup 1}J{sub CC} couplings in uniformly {sup 13}C labeled samples. These new experiments provide a unique assignment ladder-mark that yields bidirectional supra-sequential information and can readily straddle proline residues. Unlike the conventional HNCA experiment, which contains only sequential information to the {sup 13}(C{sub {alpha}}) of the preceding residue, the 3D hnCA-TOCSY-caNH experiment can yield sequential correlations to alpha carbons in positions i-1, i + 1 and i-2. Furthermore, the 3D hNca-TOCSY-caNH and Hnca-TOCSY-caNH experiments, which share the same magnetization pathway but use a different chemical shift encoding, directly couple the {sup 15}N-{sup 1}H spin pair of residue i to adjacent amide protons and nitrogens at positions i-2, i-1, i + 1 and i + 2, respectively. These new experimental features make protein backbone assignments more robust by reducing the degeneracy problem associated with the conventional 3D NMR experiments.

  20. Solid state {sup 13}C NMR study on the synthesis of graphite oxide from different graphitic precursors; Estudo atravéS de RMN de {sup 13}C no estado sólido sobre a síntese de oxido de grafite utilizando diferentes precursores grafíticos

    Energy Technology Data Exchange (ETDEWEB)

    Vieira, Mariana A.; Frasson, Carolina Maria R.; Costa, Tainara Luiza G.; Cipriano, Daniel F.; Schettino Junior, Miguel A.; Cunha, Alfredo G.; Freitas, Jair C.C., E-mail: marianaarpini@hotmail.com [Universidade Federal do Espírito Santo (UFES), Vitória, ES (Brazil). Lab. de Materiais Carbonosos e Cerâmicos

    2017-10-15

    The influence of the structural and microstructural characteristics of graphitic precursors on the production of graphite oxide (GO) is investigated in the present work. Six different graphitic precursors were used to produce GO following a modified Hummers method, namely: natural graphite, commercial lubricant graphite, milled graphite, graphite flakes, high-purity graphite and graphite recycled from Li-ion batteries. The products were characterized by X-ray diffraction (XRD), thermogravimetry, solid-state {sup 13}C nuclear magnetic resonance (NMR) and scanning electron microscopy (SEM). {sup 13}C NMR spectra revealed the presence of epoxy, hydroxyl, carbonyl and lactol groups in the synthesized GOs. However, the oxidation degree of each product was found to be dependent on the average crystallite size (Lc) and particle size of the graphitic precursors, with the best GO samples being produced from the milled graphite and the graphite recycled from ion-Li batteries. These results were rationalized in terms of the structural and microstructural differences among the graphitic precursors, as revealed by the XRD patterns and SEM images, evidencing the importance of the correct choice of the precursor aiming the achievement of a well-developed structure for the GO product. (author)

  1. Nuclear spin-off

    International Nuclear Information System (INIS)

    1981-11-01

    This booklet gives examples of 'nuclear spin off', from research programmes carried out for the UKAEA, under the following headings; non destructive testing; tribology; environmental protection; flow measurement; material sciences; mechanical engineering; marine services; biochemical technology; electronic instrumentation. (U.K.)

  2. SiV color centers in Si-doped isotopically enriched {sup 12}C and {sup 13}C CVD diamonds

    Energy Technology Data Exchange (ETDEWEB)

    Sedov, Vadim; Bolshakov, Andrey [General Physics Institute, RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI, Moscow (Russian Federation); Boldyrev, Kirill [Institute of Spectroscopy, RAS, Troitsk, Moscow (Russian Federation); Krivobok, Vladimir; Nikolaev, Sergei [Lebedev Physical Institute, RAS, Moscow (Russian Federation); Khomich, Alex [Institute of Radio Engineering and Electronics, RAS, Fryazino (Russian Federation); Khomich, Andrew [General Physics Institute, RAS, Moscow (Russian Federation); Institute of Radio Engineering and Electronics, RAS, Fryazino (Russian Federation); Krasilnikov, Anatoly [Institution ' ' ProjectCenter ITER' ' , Moscow (Russian Federation); Ralchenko, Victor [General Physics Institute, RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI, Moscow (Russian Federation); Harbin Institute of Technology, Harbin (China)

    2017-11-15

    The effect of isotopic modification of diamond lattice on photoluminescence (PL) and optical absorption spectra of ensembles of SiV{sup -} centers was studied. Thin epitaxial diamond layers were grown by a microwave plasma CH{sub 4}/H{sub 2} mixtures using methane enriched to 99.96% for either {sup 12}C or {sup 13}C isotopes, while the Si doping was performed by adding a small percentage of silane SiH{sub 4} into the plasma. Temperature dependent SiV{sup -} ZPL spectra in absorption were measured at 3-80 K to monitor the evolution of the ZPL fine structure. It is found that the SiV{sup -} ZPL at 736.9 nm observed in PL for {sup 12}C diamond at T = 5 K, exhibits a blue shift of 1.78 meV, to 736.1 nm in {sup 13}C diamond matrix. Narrow ZPL with the width (FWHM) of 0.09 meV (21 GHz) was measured in absorption spectra at T = 3-30 K in the Si-doped {sup 13}C diamond. Besides the charged SiV{sup -} center, the absorption of the neutral SiV{sup 0} defect at 946 nm wavelength has also been detected. From changes observed in SiV{sup -} phonon band structure in PL with isotopic modification, the band at 64 meV was confirmed to be a local vibration mode (LVM) involving a Si atom. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. {sup 15}N and {sup 13}C- SOFAST-HMQC editing enhances 3D-NOESY sensitivity in highly deuterated, selectively [{sup 1}H,{sup 13}C]-labeled proteins

    Energy Technology Data Exchange (ETDEWEB)

    Rossi, Paolo, E-mail: rossip@umn.edu; Xia, Youlin; Khanra, Nandish; Veglia, Gianluigi, E-mail: vegli001@umn.edu; Kalodimos, Charalampos G., E-mail: ckalodim@umn.edu [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States)

    2016-12-15

    The ongoing NMR method development effort strives for high quality multidimensional data with reduced collection time. Here, we apply ‘SOFAST-HMQC’ to frequency editing in 3D NOESY experiments and demonstrate the sensitivity benefits using highly deuterated and {sup 15}N, methyl labeled samples in H{sub 2}O. The experiments benefit from a combination of selective T{sub 1} relaxation (or L-optimized effect), from Ernst angle optimization and, in certain types of experiments, from using the mixing time for both NOE buildup and magnetization recovery. This effect enhances sensitivity by up to 2.4× at fast pulsing versus reference HMQC sequences of same overall length and water suppression characteristics. Representative experiments designed to address interesting protein NMR challenges are detailed. Editing capabilities are exploited with heteronuclear {sup 15}N,{sup 13}C-edited, or with diagonal-free {sup 13}C aromatic/methyl-resolved 3D-SOFAST-HMQC–NOESY–HMQC. The latter experiment is used here to elucidate the methyl-aromatic NOE network in the hydrophobic core of the 19 kDa FliT-FliJ flagellar protein complex. Incorporation of fast pulsing to reference experiments such as 3D-NOESY–HMQC boosts digital resolution, simplifies the process of NOE assignment and helps to automate protein structure determination.

  4. Correlation between the synthetic origin of methamphetamine samples and their {sup 15}N and {sup 13}C stable isotope ratios

    Energy Technology Data Exchange (ETDEWEB)

    Billault, Isabelle [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France)]. E-mail: Isabelle.Billault@univ-nantes.fr; Courant, Frederique [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Pasquereau, Leo [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Derrien, Solene [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Robins, Richard J. [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Naulet, Norbert [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France)

    2007-06-12

    The active ingredient of ecstasy, N-methyl-3,4-methyldioxyphenylisopropylamine (MDMA) can be manufactured by a number of easy routes from simple precursors. We have synthesised 45 samples of MDMA following the five most common routes using N-precursors from 12 different origins and three different precursors for the aromatic moiety. The {sup 13}C and {sup 15}N contents of both the precursors and the MDMA samples derived therefrom were measured by isotope ratio mass spectrometry coupled to an elemental analyser (EA-IRMS). We show that within-pathway correlation between the {sup 15}N content of the precursor and that of the derived MDMA can be strong but that no general pattern of correlation can be defined. Rather, it is evident that the {delta} {sup 15}N values of MDMA are strongly influenced by a combination of the {delta} {sup 15}N values of the source of nitrogen used, the route by which the MDMA is synthesised, and the experimental conditions employed. Multivariate analysis (PCA) based on the {delta} {sup 15}N values of the synthetic MDMA and of the {delta} {sup 15}N and {delta} {sup 13}C values of the N-precursors leads to good discrimination between the majority of the reaction conditions tested.

  5. Influence of substituents on chemical shift of {delta}({sup 13}C) in the series of 5-methyl-5H-indole [2,3-b]quinoline derivatives; Wplyw podstawnikow na przesuniecie chemiczne {sigma}({sup 13}C) w serii pochodnych 5-metylo-5H-indolo-[2,3-b]chinoliny

    Energy Technology Data Exchange (ETDEWEB)

    Kamienska-Trela, K.; Kania, L.; Kaczmarek, L. [Inst. Chemii Organicznej, Polska Akademia Nauk, Warsaw (Poland)

    1994-12-31

    {sup 13}C NMR spectra of series of 5-methyl-5H-indole quinoline substituted with different groups and their number have been measured. The influence of steric and electronic properties of substituents on observed chemical shifts of {sup 13}C nuclei have been discussed. 1 fig., 1 tab.

  6. Calculated /sup 13/C NMR relaxation parameters for a restricted internal diffusion model. Application to methionine relaxation in dihydrofolate reductase

    Energy Technology Data Exchange (ETDEWEB)

    London, R.E.; Avitabile, J.

    1978-11-08

    /sup 13/C NMR relaxation parameters, T/sub 1/, T/sub 2/, and NOE, have been calculated based on a model assuming internal rotational diffusion subject to boundary conditions limiting the range of motion. Numerical results are presented as a function of diffusion coefficients D/sub 0/ and D/sub i/ and angle ..beta.. defined as in the free internal rotation calculation, as well as 2theta, the allowed range of motion. Relaxation times vary from values expected in the absence of internal motion to values slightly below those calculated using the free internal rotation model as the range is increased from 0 to 360/sup 0/. The discrepancy in the latter comparison arises from the boundary condition preventing diffusion from 180/sup +/ to 180/sup -/. Changes in T/sub 2/ are typically monotonic or nearly monotonic as a function of theta; however, changes in T/sub 1/ and NOE values are markedly nonmonotonic for D/sub 0/ approx. < 10/sup 6/ s/sup -1/ and for certain values of D/sub i/. Criteria for the applicability of the present calculations to the analysis of /sup 13/C NMR relaxation data obtained in studies of macromolecules undergoing restricted internal motion have been suggested. The results have been generalized to the case of multiple internal rotations, specifically for the problem of one free and one restricted diffusional process. In general, two types of rotation are not commutative. This model has been applied to relaxation data recently obtained for the methionine methyl resonances of specifically /sup 13/C-labeled dihydrofolate reductase obtained from S. faecium. The results indicate that the data can be readily explained by assuming rapid free internal diffusion about the S--CH/sub 3/ bond and restricted internal diffusion about the CH/sub 2/--S bond of methionine, such that for the broadest resonances the motional range is restricted to approx. 90/sup 0/ and for the sharpest resonances the range is >180/sup 0/. Restriction of the motion allows a

  7. Sampling technique for collection of expired COsub(2) in studies using naturally labelled sup(13)C in calves

    International Nuclear Information System (INIS)

    Chevalier, R.; Pelletier, G.; Gagnon, M.

    1984-01-01

    Natural isotopic labelling of animal metabolic processes presents great advantages over the use of artificially enriched compounds. These advantages include the use of natural diets, low cost and easiness of handling, sampling and disposal. Changes in the sup(13)C/sup(12)C ratio of expired COsub(2) after ingestion of a test meal containing a variable proportion of Csub(3) and/or Csub(4) plant-derived products permits measurements of the immediate oxidation of dietary carbohydrates. A breathing device for collection of expired COsub(2) and purification techniques are described. The breath-sampling device is composed of a polypropylene enclosure and a rubber bag. The rubber bag is blown up by the animal and a sample of the expired gas is transferred to a sampling glass holder in which a vacuum had been previously achieved. Sample purification of expired COsub(2) is done by differential freezing

  8. Pulsed EPR and {sup 13}C NMR: complementary tools on the study of solid C{sub 60} fullerene

    Energy Technology Data Exchange (ETDEWEB)

    Herbst, Marcelo Hawrylak; Pinhal, Nelson Moreira; Vugman, Ney Vernon [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Fisica]. E-mail: ney@if.ufrj.br

    2002-07-01

    A correlation between independent {sup 13}C NMR (Belahmer et al.) and pulsed EPR measurements on air-exposed polycrystalline C{sub 60} samples is observed. The recently introduced PEANUT (acronym for Phase-inverted Echo-Amplitude detected NUTation) pulse scheme was employed to get deeper insight on the study of the nature of the paramagnetic species of pristine fullerene powder. The origin of the spectral lines seem in the EPR spectrum os solid C{sub 60} is determined: they arise from the interaction between the pi electrons of the outer surface of the fullerene molecules and of the oxygen molecules intercalated into the voids of the fullerene crystal lattice. The aim of this report is to establish and demonstrate the complementary of the two magnetic resonance techniques on the study of solid fullerenes. (author)

  9. Afforestation impacts microbial biomass and its natural {sup 13}C and {sup 15}N abundance in soil aggregates in central China

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Junjun; Zhang, Qian; Yang, Fan; Lei, Yao; Zhang, Quanfa; Cheng, Xiaoli, E-mail: xlcheng@fudan.edu.cn

    2016-10-15

    We investigated soil microbial biomass and its natural abundance of δ{sup 13}C and δ{sup 15}N in aggregates (> 2000 μm, 250–2000 μm, 53–250 μm and < 53 μm) of afforested (implementing woodland and shrubland plantations) soils, adjacent croplands and open area (i.e., control) in the Danjiangkou Reservoir area of central China. The afforested soils averaged higher microbial biomass carbon (MBC) and nitrogen (MBN) levels in all aggregates than in open area and cropland, with higher microbial biomass in micro-aggregates (< 250 μm) than in macro-aggregates (> 2000 μm). The δ{sup 13}C of soil microbial biomass was more enriched in woodland soils than in other land use types, while δ{sup 15}N of soil microbial biomass was more enriched compared with that of organic soil in all land use types. The δ{sup 13}C and δ{sup 15}N of microbial biomass were positively correlated with the δ{sup 13}C and δ{sup 15}N of organic soil across aggregates and land use types, whereas the {sup 13}C and {sup 15}N enrichment of microbial biomass exhibited linear decreases with the corresponding C:N ratio of organic soil. Our results suggest that shifts in the natural {sup 13}C and {sup 15}N abundance of microbial biomass reflect changes in the stabilization and turnover of soil organic matter (SOM) and thereby imply that afforestation can greatly impact SOM accumulation over the long-term. - Highlights: • Afforested soils averaged higher microbial biomass in all aggregates than cropland. • Microbial biomass was higher in micro-aggregates than in macro-aggregates. • δ{sup 13}C and δ{sup 15}N of microbe positively correlated with δ{sup 13}C and δ{sup 15}N of organic soil. • {sup 13}C and {sup 15}N enrichment of microbe was negatively related to with soil C:N ratio.

  10. The {sup 12}C/{sup 13}C Ratio in Sgr B2(N): Constraints for Galactic Chemical Evolution and Isotopic Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Halfen, D. T.; Ziurys, L. M. [Department of Chemistry and Biochemistry, University of Arizona, 1305 E. 4th Street, Tucson, AZ 85719 (United States); Woolf, N. J., E-mail: halfend@email.arizona.edu [Department of Astronomy, Arizona Radio Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States)

    2017-08-20

    A study has been conducted of {sup 12}C/{sup 13}C ratios in five complex molecules in the Galactic center. H{sub 2}CS, CH{sub 3}CCH, NH{sub 2}CHO, CH{sub 2}CHCN, and CH{sub 3}CH{sub 2}CN and their {sup 13}C-substituted species have been observed in numerous transitions at 1, 2, and 3 mm, acquired in a spectral-line survey of Sgr B2(N), conducted with the telescopes of the Arizona Radio Observatory (ARO). Between 22 and 54 individual, unblended lines for the {sup 12}C species and 2–54 for {sup 13}C-substituted analogs were modeled in a global radiative transfer analysis. All five molecules were found to consistently exhibit two velocity components near V {sub LSR} ∼ 64 and 73 km s{sup −1}, with column densities ranging from N {sub tot} ∼ 3 × 10{sup 14} − 4 × 10{sup 17} cm{sup −2} and ∼2 × 10{sup 13} − 1 × 10{sup 17} cm{sup −2} for the {sup 12}C and {sup 13}C species, respectively. Based on 14 different isotopic combinations, ratios were obtained in the range {sup 12}C/{sup 13}C = 15 ± 5 to 33 ± 13, with an average value of 24 ± 7, based on comparison of column densities. These measurements better anchor the {sup 12}C/{sup 13}C ratio at the Galactic center, and suggest a slightly revised isotope gradient of {sup 12}C/{sup 13}C = 5.21(0.52) D {sub GC} + 22.6(3.3). As indicated by the column densities, no preferential {sup 13}C enrichment was found on the differing carbon sites of CH{sub 3}CCH, CH{sub 2}CHCN, and CH{sub 3}CH{sub 2}CN. Because of the elevated temperatures in Sgr B2(N), {sup 13}C isotopic substitution is effectively “scrambled,” diminishing chemical fractionation effects. The resulting ratios thus reflect stellar nucleosynthesis and Galactic chemical evolution, as is likely the case for most warm clouds.

  11. Effects of elevated ozone on leaf {delta}{sup 13}C and leaf conductance of plant species grown in semi-natural grassland with or without irrigation

    Energy Technology Data Exchange (ETDEWEB)

    Jaeggi, M. [Agroscope FAL Reckenholz, Swiss Federal Research Station for Agroecology and Agriculture, Air Pollution/Climate Group, CH-8046 Zurich (Switzerland)]. E-mail: maya.jaeggi@psi.ch; Saurer, M. [Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Volk, M. [Agroscope FAL Reckenholz, Swiss Federal Research Station for Agroecology and Agriculture, Air Pollution/Climate Group, CH-8046 Zurich (Switzerland); Fuhrer, J. [Agroscope FAL Reckenholz, Swiss Federal Research Station for Agroecology and Agriculture, Air Pollution/Climate Group, CH-8046 Zurich (Switzerland)

    2005-03-01

    Stable carbon isotope ratios ({delta}{sup 13}C) and leaf conductance (g{sub s}) were measured (2002, 2003) in Holcus lanatus L., Plantago lanceolata L. Ranunculus friesianus (Jord.), and Trifolium pratense L. at two levels of ozone (O{sub 3}) with or without irrigation. In non-irrigated control plots, R. friesianus showed the least negative {delta}{sup 13}C, and the smallest response to the treatments. Irrigation caused more negative {delta}{sup 13}C, especially in H. lanatus. Irrespective of irrigation, O{sub 3} increased {delta}{sup 13}C in relationship to a decrease in g{sub s} in P. lanceolata and T. pratense. The strongest effect of O{sub 3} on {delta}{sup 13}C occurred in the absence of irrigation, suggesting that under field conditions lack of moisture in the top soil does not always lead to protection from O{sub 3} uptake. It is concluded that in species such as T. pratense plants can maintain stomatal O{sub 3} uptake during dry periods when roots can reach deeper soil layers where water is not limiting. - Under natural field conditions, lack of precipitation may not protect semi-natural vegetation from O{sub 3} effects on leaf gas exchange.

  12. Positional enrichment by proton analysis (PEPA). A one-dimensional {sup 1}H-NMR approach for {sup 13}C stable isotope tracer studies in metabolomics

    Energy Technology Data Exchange (ETDEWEB)

    Vinaixa, Maria; Yanes, Oscar [Department of Electronic Engineering-Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), Reus (Spain); Rodriguez, Miguel A.; Capellades, Jordi [Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), Reus (Spain); Aivio, Suvi; Stracker, Travis H. [Institute for Research in Biomedicine (IRB Barcelona), Barcelona Institute of Science and Technology (Spain); Gomez, Josep; Canyellas, Nicolau [Department of Electronic Engineering-, Universitat Rovira i Virgili, Tarragona (Spain)

    2017-03-20

    A novel metabolomics approach for NMR-based stable isotope tracer studies called PEPA is presented, and its performance validated using human cancer cells. PEPA detects the position of carbon label in isotopically enriched metabolites and quantifies fractional enrichment by indirect determination of {sup 13}C-satellite peaks using 1D-{sup 1}H-NMR spectra. In comparison with {sup 13}C-NMR, TOCSY and HSQC, PEPA improves sensitivity, accelerates the elucidation of {sup 13}C positions in labeled metabolites and the quantification of the percentage of stable isotope enrichment. Altogether, PEPA provides a novel framework for extending the high-throughput of {sup 1}H-NMR metabolic profiling to stable isotope tracing in metabolomics, facilitating and complementing the information derived from 2D-NMR experiments and expanding the range of isotopically enriched metabolites detected in cellular extracts. (copyright 2017 The Authors. Published by Wiley-VCH Verlag GmbH and Co. KGaA.)

  13. Complete {sup 1}H and {sup 13}C NMR assignments and anti fungal activity of two 8-hydroxy flavonoids in mixture

    Energy Technology Data Exchange (ETDEWEB)

    Johann, Susana; Smania Junior, Artur [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. de Microbiologia e Parasitologia. Lab. de Antibioticos; Pizzolatti, Moacir G. [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. de Quimica; Schripsema, Jan; Braz-Filho, Raimundo [Universidade Estadual do Norte Fluminense (UENF), Campos dos Goytacazes, RJ (Brazil). Setor de Quimica de Produtos Naturais. Lab. de Quimica e Funcao de Proteinas e Peptideos (LQFPP); Branco, Alexsandro [Universidade Estadual de Feira de Santana, BA (Brazil). Dept. de Saude. Lab. de Fitoquimica]. E-mail: branco@uefs.br

    2007-06-15

    A mixture of the two new flavonols 8-hydroxy-3, 4', 5, 6, 7-pentamethoxyflavone (1) and 8-hydroxy-3, 3', 4', 5, 6, 7-hexamethoxyflavone (2) was isolated from a commercial sample of Citrus aurantifolia. An array of one- ({sup 1}H NMR, {l_brace}{sup 1}H{r_brace} {sup -13}C NMR, and APT{sup -13}C NMR) and two-dimensional NMR techniques (COSY, NOESY, HMQC and HMBC) was used to achieve the structural elucidation and the complete {sup 1}H and {sup 13}C chemical shift assignments of these natural compounds. In addition, the antifungal activity of these compounds against phytopathogenic and human pathogenic fungi was investigated. (author)

  14. {sup 13}C NMR, micro-FTIR and fluorescence spectra and pyrolysis-gas chromatograms of coalified foliage of late Carboniferous medullosan seed ferns, Nova Scotia, Canada: implications for coalification and chemotaxonomy

    Energy Technology Data Exchange (ETDEWEB)

    Lyons, P.C.; Orem, W.H.; Mastalerz, M.; Zodrow, E.L.; Vieth-Redemann, A.; Bustin, R.M. [US Geological Survey, Reston, VA (United States)

    1995-03-01

    The cuticles and cuticle-free compression of three Carboniferous medullosan seed-fern leaf species ({ital Macroneuropteris scheuchzeri}, {ital Neuropteris ovata} var. {ital simonii} and {ital Alethopteris lesquereuxii}) were analyzed by elemental, {sup 13}C nuclear magnetic resonance (NMR), micro-FTIR (Fourier transform infrared) and coal petrographic techniques. The {sup 13}C NMR spectra of the cuticle-free compression and the associated whole coal are generally similar and consist of a large aromatic carbon peak, a smaller aliphatic carbon peak and a shoulder on the aromatic peak, representing phenolic carbons. In contrast, the {sup 13}C NMR spectra of the cuticles from the same leaves have a predominant peak for aliphatic carbons and a much smaller aromatic carbon peak. Micro-FTIR spectra of the cuticles show oxygenated functional groups (carboxyl and ketone) similar to those in modern cuticles. The cuticle-free compressions (mainly vitrinite), in turn, show the absence or significant reduction in oxygenated functional groups. Fluorescence spectra for the cuticles from all these species show a great similarity with a {lambda}{sub max} at 580-590 nm, which is consistent with the similar vitrinite reflectance (R{sub r}) and H/C and O/C ratios of the cuticle-free compressions. These results indicate that leaf cuticle-free compressions, which were initially cellulose rich, can alter, during peatification and coalification, to a macromolecular structure similar to that of coalified wood. Thus, a lignin-enriched structure is not a prerequisite for the formation of the macromolecular structure of vitrinite. The micro-FTIR data reveal some significant differences among the cuticles that may be of chemotaxonomic value. Clearly,a combination of macro- and micro-techniques offers a better basis for the interpretation of the molecular structure of pre-macerals and their alteration during peatification and coalification. 55 refs., 11 figs., 4 tabs.

  15. {sup 13}C NMR detects conformational change in the 100-kD membrane transporter ClC-ec1

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Sherwin J.; Cheng, Ricky C.; Chew, Thomas A.; Khantwal, Chandra M. [Stanford University School of Medicine, Department of Molecular & Cellular Physiology (United States); Liu, Corey W. [Stanford University School of Medicine, Stanford Magnetic Resonance Laboratory (United States); Gong, Shimei; Nakamoto, Robert K. [University of Virginia, Department of Molecular Physiology and Biological Physics (United States); Maduke, Merritt, E-mail: maduke@stanford.edu [Stanford University School of Medicine, Department of Molecular & Cellular Physiology (United States)

    2015-04-15

    CLC transporters catalyze the exchange of Cl{sup −} for H{sup +} across cellular membranes. To do so, they must couple Cl{sup −} and H{sup +} binding and unbinding to protein conformational change. However, the sole conformational changes distinguished crystallographically are small movements of a glutamate side chain that locally gates the ion-transport pathways. Therefore, our understanding of whether and how global protein dynamics contribute to the exchange mechanism has been severely limited. To overcome the limitations of crystallography, we used solution-state {sup 13}C-methyl NMR with labels on methionine, lysine, and engineered cysteine residues to investigate substrate (H{sup +}) dependent conformational change outside the restraints of crystallization. We show that methyl labels in several regions report H{sup +}-dependent spectral changes. We identify one of these regions as Helix R, a helix that extends from the center of the protein, where it forms the part of the inner gate to the Cl{sup −}-permeation pathway, to the extracellular solution. The H{sup +}-dependent spectral change does not occur when a label is positioned just beyond Helix R, on the unstructured C-terminus of the protein. Together, the results suggest that H{sup +} binding is mechanistically coupled to closing of the intracellular access-pathway for Cl{sup −}.

  16. Other compounds isolated from Simira glaziovii and the {sup 1}H and {sup 13}C NMR chemical shift assignments of new 1-epi-castanopsol

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Marcelo F. de; Vieira, Ivo J. Curcino [Universidade Federal Rural do Rio de Janeiro, Seropedica, RJ (Brazil). Dept. de Quimica; Braz-Filho, Raimundo [Universidade Estadual do Norte Fluminense (UENF), Campos dos Goytacases, RJ (Brazil). Centro de Ciencias Tecnologicas. Lab. de Ciencias Quimicas; Carvalho, Mario G. de, E-mail: mgeraldo@ufrrj.br [Universidade Federal do Rio de Janeiro (NPPN/UFRJ), RJ (Brazil). Centro de Ciencias da Saude. Nucleo de Pesquisa em Produtos Naturais

    2012-07-01

    A new triterpene, 1-epi-castanopsol, besides eleven known compounds: sitosterol, stigmasterol, campesterol, lupeol, lupenone, simirane B, syringaresinol, scopoletin, isofraxidin, 6,7,8-trimethoxycoumarin and harman, were isolated from the wood of Simira glaziovii. The structures of the known compounds were defined by 1D, 2D {sup 1}H, {sup 13}C NMR spectra data analyses and comparison with literature data. The detailed spectral data analyses allowed the definition of the structure of the new 1-epi isomer of castanopsol and performance of {sup 1}H and {sup 13}C NMR chemical shift assignments. (author)

  17. Plant diversity moderates drought stress in grasslands: Implications from a large real-world study on {sup 13}C natural abundances

    Energy Technology Data Exchange (ETDEWEB)

    Klaus, Valentin H., E-mail: v.klaus@uni-muenster.de [Münster University, Institute for Landscape Ecology, Heisenbergstr. 2, 48149 Münster (Germany); Hölzel, Norbert [Münster University, Institute for Landscape Ecology, Heisenbergstr. 2, 48149 Münster (Germany); Prati, Daniel; Schmitt, Barbara [University of Bern, Institute of Plant Sciences, Altenbergrain 21, 3013 Bern (Switzerland); Schöning, Ingo; Schrumpf, Marion; Solly, Emily F. [Max-Planck-Institute for Biogeochemistry, Hans-Knöll-Str. 10, 07745 Jena (Germany); Hänsel, Falk [University Marburg, Environmental Informatics, Faculty of Geography, Deutschhausstr. 12, 35037 Marburg (Germany); Fischer, Markus [University of Bern, Institute of Plant Sciences, Altenbergrain 21, 3013 Bern (Switzerland); Kleinebecker, Till [Münster University, Institute for Landscape Ecology, Heisenbergstr. 2, 48149 Münster (Germany)

    2016-10-01

    Land-use change and intensification play a key role in the current biodiversity crisis. The resulting species loss can have severe effects on ecosystem functions and services, thereby increasing ecosystem vulnerability to climate change. We explored whether land-use intensification (i.e. fertilization intensity), plant diversity and other potentially confounding environmental factors may be significantly related to water use (i.e. drought stress) of grassland plants. Drought stress was assessed using δ{sup 13}C abundances in aboveground plant biomass of 150 grassland plots across a gradient of land-use intensity. Under water shortage, plants are forced to increasingly take up the heavier {sup 13}C due to closing stomata leading to an enrichment of {sup 13}C in biomass. Plants were sampled at the community level and for single species, which belong to three different functional groups (one grass, one herb, two legumes). Results show that plant diversity was significantly related to the δ{sup 13}C signal in community, grass and legume biomass indicating that drought stress was lower under higher diversity, although this relation was not significant for the herb species under study. Fertilization, in turn, mostly increased drought stress as indicated by more positive δ{sup 13}C values. This effect was mostly indirect by decreasing plant diversity. In line with these results, we found similar patterns in the δ{sup 13}C signal of the organic matter in the topsoil, indicating a long history of these processes. Our study provided strong indication for a positive biodiversity-ecosystem functioning relationship with reduced drought stress at higher plant diversity. However, it also underlined a negative reinforcing situation: as land-use intensification decreases plant diversity in grasslands, this might subsequently increases drought sensitivity. Vice-versa, enhancing plant diversity in species-poor agricultural grasslands may moderate negative effects of future

  18. Increase resolution of {sup 13}C NMR spectra of humic acids in solution by previous treatment with 0,03 mol L{sup -1} KCl; Aumento da resolucao de espectros de RMN {sup 13}C de acidos humicos em solucao atraves do tratamento previo com KCl 0,03 mol L{sup -1}

    Energy Technology Data Exchange (ETDEWEB)

    Canellas, Luciano Pasqualoto; Guridi, Fernando; Santos, Gabriel de A. [Universidade Federal Rural do Rio de Janeiro, RJ (Brazil). Dept. de Solos; Rumjanek, Victor Marcos [Universidade Federal, Rio de Janeiro, RJ (Brazil). Dept. de Quimica; Braz-Filho, Raimundo [Universidade Estadual do Norte Fluminense, Campos, RJ (Brazil). Setor de Quimica dos Produtos Naturais

    2001-02-01

    High levels of Fe and Mn present in some soils and compost organic matter decrease the resolution of {sup 13} C NMR spectra of humic substances. Addition of K Cl up to a concentration of 0,03 mol L{sub -}{sup 1} to humic substances extracts followed by centrifugation is an efficient method of eliminating clays and minerals containing high levels of paramagnetic metals such as Fe and Mn thus increasing the resolution of {sup 13} C NMR spectra. (author)

  19. Nuclear Spins in Quantum Dots

    NARCIS (Netherlands)

    Erlingsson, S.I.

    2003-01-01

    The main theme of this thesis is the hyperfine interaction between the many lattice nuclear spins and electron spins localized in GaAs quantum dots. This interaction is an intrinsic property of the material. Despite the fact that this interaction is rather weak, it can, as shown in this thesis,

  20. {delta}{sup 13}C of Tree-Ring Lignin as an Indirect Measure of Climate Change

    Energy Technology Data Exchange (ETDEWEB)

    Robertson, I. [CSIR Environmentek, Quaternary Dating Research Unit (South Africa)], E-mail: i.robertson@swansea.ac.uk; Loader, N. J.; McCarroll, D. [University of Wales Swansea, Department of Geography (United Kingdom); Carter, A. H. C. [University of Cambridge, Godwin Institute for Quaternary Research (United Kingdom); Cheng, L.; Leavitt, S. W. [University of Arizona, Laboratory of Tree-Ring Research (United States)

    2004-06-15

    High-resolution paleoclimatic data are an essential requirement for testing numerical models of climate change and the global carbon cycle. If the long tree-ring chronologies, originally established for the purpose of dendrochronology, are to be fully exploited as an indirect measure of past climatic variability, additional techniques are required to obtain this information. The determination of the {delta}{sup 13}C value of tree-ring cellulose has been used successfully to reconstruct past climates. However, under both aerobic and anaerobic conditions, the polysaccharide components of vascular plants (mainly cellulose and hemicelluloses) are more prone to rapid degradation than lignin. This has serious implications for the use of carbon isotope values of tree-ring cellulose as an indirect measure of past climates. An absolutely dated ring-width chronology was established for oaks (Quercus robur L.) growing at Sandringham Park in eastern England. Carbon isotope values were determined on {alpha}-cellulose and 'Klason' lignin isolated from annual latewood samples over the period AD 1895-1999. The carbon isotope values of earlywood lignin are correlated with the latewood carbon isotope values of the previous year, supporting the theory that some of the carbon utilised in earlywood synthesis is assimilated in the previous year. The high-frequency variance in the carbon isotope indices of latewood lignin and cellulose is highly correlated with combined July and August environmental variables, indicating that they were formed at similar times. There was no evidence of secondary lignification. These results demonstrate that the determination of carbon isotope values of latewood lignin offers the potential to obtain unambiguous proxy climatic data covering several millennia.

  1. The influence of fish cage culture on δ{sup 13}C and δ{sup 15}N of filter-feeding Bivalvia (Mollusca)

    Energy Technology Data Exchange (ETDEWEB)

    Benedito, E.; Takeda, A.M., E-mail: eva@nupelia.uem.br [Universidade Estadual de Maringa (UEM), PR (Brazil). Nucleo de Pesquisas em Limnologia, Ictiologia e Aquicultura; Figueroa, L. [Universidade Estadual de Maringa (UEM), PR (Brazil). Pos-Graduacao em Ecologia de Ambientes Aquaticos Continentais; Manetta, GI. [Universidade Estadual de Maringa (UEM), PR (Brazil). Pos-Graduacao em Biologia Comparada

    2013-11-15

    The objective of this study was to evaluate the effect of Oreochromis niloticus cage culture promoted variations in the δ{sup 13}C and δ{sup 15}N in Corbicula fluminea (Mollusca; Bivalvia) and in the sediment of an aquatic food web. Samples were taken before and after net cage installation in the Rosana Reservoir (Paranapanema River, PR-SP). Samples of specimens of the bivalve filter C. fluminea and samples of sediment were collected using a modified Petersen grab. All samples were dried in an oven (60 °C) for 72 hours, macerated to obtain homogenous fine powders and sent for carbon (δ{sup 13}C) and nitrogen (δ{sup 15}N) isotopic value analysis in a mass spectrometer. There were significant differences in the δ{sup 13}C and δ{sup 15}N values of the invertebrate C. fluminea between the beginning and the end of the experiment. There were no differences between the δ{sup 13}C and δ{sup 15}N values of sediment. These results indicate that the installation of fish cage culture promoted impacts in the isotopic composition of the aquatic food web organisms, which could exert influence over the native species and the ecosystem. (author)

  2. Study of ketone body kinetics in children by a combined perfusion of /sup 13/C and /sup 2/H3 tracers

    Energy Technology Data Exchange (ETDEWEB)

    Bougneres, P.F.; Ferre, P.

    1987-11-01

    Ketone body kinetics were quantified in six children (3-5 yr old), who were fasted for 13-22 h, by a combined perfusion of (3-/sup 13/C)acetoacetate ((/sup 13/C)AcAc) and D-(-)-beta-(4,4,4-/sup 2/H3)hydroxybutyrate (beta-(/sup 2/H3)OHB) and gas chromatography-mass spectrometry analysis. Results were analyzed according to the single-pool (combined enrichments) or the two-accessible pools models. After 20-22 h of fasting, ketone body turnover rate was 30-50 mumol.kg-1.min-1, a rate achieved after several days of fasting in adults. At low ketosis, acetoacetate was the ketone body preferentially synthesized de novo and utilized irreversibly. When ketosis increased, acetoacetate irreversible disposal was not enhanced, since it was largely converted into beta-OHB, whereas beta-OHB irreversible disposal was very much increased. The single-pool and two-pool models gave similar ketone body turnover rates when (/sup 13/C)AcAc was the tracer, whereas the use of beta-(/sup 2/H3)OHB gave some more divergent results, especially at low ketosis. These studies demonstrate that ketogenesis is very active in short-term fasted children and that the use of a combined infusion of (/sup 13/C)AcAc and beta-(/sup 2/H3)OHB is a convenient way to give insight into individual ketone body kinetics.

  3. Atypical delta sup(13) C signature in Globigerina bulloides at the ODP site 723A (Arabian Sea): Implications of environmental changes caused by upwelling

    Digital Repository Service at National Institute of Oceanography (India)

    Naidu, P.D; Niitsuma, N.

    Drilling Program (ODP) site 723A located in the intense upwelling area along the Oman Margin, Arabian Sea is studied. The delta sup(13) C signature of G. bulloides from the Oman Margin during the last 19 ka ranges from -2.65 ppt to -1.13 ppt. Strikingly...

  4. Electron spin and nuclear spin manipulation in semiconductor nanosystems

    International Nuclear Information System (INIS)

    Hirayama, Yoshiro; Yusa, Go; Sasaki, Satoshi

    2006-01-01

    Manipulations of electron spin and nuclear spin have been studied in AlGaAs/GaAs semiconductor nanosystems. Non-local manipulation of electron spins has been realized by using the correlation effect between localized and mobile electron spins in a quantum dot- quantum wire coupled system. Interaction between electron and nuclear spins was exploited to achieve a coherent control of nuclear spins in a semiconductor point contact device. Using this device, we have demonstrated a fully coherent manipulation of any two states among the four spin levels of Ga and As nuclei. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Selective {sup 13}C labeling of nucleotides for large RNA NMR spectroscopy using an E. coli strain disabled in the TCA cycle

    Energy Technology Data Exchange (ETDEWEB)

    Thakur, Chandar S.; Sama, Jacob N.; Jackson, Melantha E.; Chen, Bin; Dayie, T. Kwaku, E-mail: dayie@umd.ed [University of Maryland, Department of Chemistry and Biochemistry, Center for Biomolecular Structure and Organization (United States)

    2010-12-15

    Escherichia coli (E. coli) is an ideal organism to tailor-make labeled nucleotides for biophysical studies of RNA. Recently, we showed that adding labeled formate enhanced the isotopic enrichment at protonated carbon sites in nucleotides. In this paper, we show that growth of a mutant E. coli strain DL323 (lacking succinate and malate dehydrogenases) on {sup 13}C-2-glycerol and {sup 13}C-1,3-glycerol enables selective labeling at many useful sites for RNA NMR spectroscopy. For DL323 E. coli grown in {sup 13}C-2-glycerol without labeled formate, all the ribose carbon atoms are labeled except the C3' and C5' carbon positions. Consequently the C1', C2' and C4' positions remain singlet. In addition, only the pyrimidine base C6 atoms are substantially labeled to {approx}96% whereas the C2 and C8 atoms of purine are labeled to {approx}5%. Supplementing the growth media with {sup 13}C-formate increases the labeling at C8 to {approx}88%, but not C2. Not unexpectedly, addition of exogenous formate is unnecessary for attaining the high enrichment levels of {approx}88% for the C2 and C8 purine positions in a {sup 13}C-1,3-glycerol based growth. Furthermore, the ribose ring is labeled in all but the C4' carbon position, such that the C2' and C3' positions suffer from multiplet splitting but the C5' position remains singlet and the C1' position shows a small amount of residual C1'-C2' coupling. As expected, all the protonated base atoms, except C6, are labeled to {approx}90%. In addition, labeling with {sup 13}C-1,3-glycerol affords an isolated methylene ribose with high enrichment at the C5' position ({approx}90%) that makes it particularly attractive for NMR applications involving CH{sub 2}-TROSY modules without the need for decoupling the C4' carbon. To simulate the tumbling of large RNA molecules, perdeuterated glycerol was added to a mixture of the four nucleotides, and the methylene TROSY experiment

  6. Annual cycle of /sup 18/O//sup 16/O and /sup 13/C//sup 12/C isotope ratios in land snail shells

    Energy Technology Data Exchange (ETDEWEB)

    Magaritz, M. (Weizmann Inst. of Science, Rehovoth (Israel). Dept. of Isotopes); Heller, J. (Hebrew Univ., Jerusalem (Israel). Dept. of Zoology)

    1983-09-01

    Monthly data on the isotopic composition of carbon and oxygen in shells of the land snail, Theba pisana, were collected from two localities near Ashqelon, Israel. Seasonal trends in the isotopic data from the two areas were similar. However, significant month-to-month and locality-to-locality differences in the delta/sup 13/C- and delta/sup 18/O-values of the snail shell carbonate indicate that microenvironmental diversity did indeed exist. The authors suggest that the factors responsible for the microclimatological diversity, such as plant coverage and primary productivity, control the degree of evaporation of 'interface water' at the soil-air boundary. They used the oxygen isotopic composition of snail shell carbonate to calculate the isotopic composition of this 'interface water', and the delta/sup 13/C-values of snail shell carbonate to monitor the amount of heterotrophic CO/sub 2/ production in the soil.

  7. {sup 13}C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Wei, E-mail: weicao@hqu.edu.cn; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

    2016-12-15

    Highlights: • {sup 13}C NMR and XPS were successfully used to characterize quaternary ammonium groups in the surface of crop straw based anion adsorbents. • The results obtained from different kinds of crop straw material clearly confirmed the presence of quaternary ammonium groups. • The composition of C-groups and N-groups also were determined by curving fitting of high-resolution XPS C1 and N1 spectra. - Abstract: Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used {sup 13}C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. {sup 13}C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent’s surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that {sup 13}C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

  8. Measurement of {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C residual dipolar couplings in nucleic acids from TROSY intensities

    Energy Technology Data Exchange (ETDEWEB)

    Ying Jinfa [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Wang Jinbu [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Grishaev, Alex [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States); Yu Ping; Wang Yunxing [National Cancer Institute, National Institutes of Health, Structural Biophysics Laboratory (United States); Bax, Ad, E-mail: bax@nih.gov [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    2011-09-15

    Analogous to the recently introduced ARTSY method for measurement of one-bond {sup 1}H-{sup 15}N residual dipolar couplings (RDCs) in large perdeuterated proteins, we introduce methods for measurement of base {sup 13}C-{sup 1}H and {sup 15}N-{sup 1}H RDCs in protonated nucleic acids. Measurements are based on quantitative analysis of intensities in {sup 1}H-{sup 15}N and {sup 13}C-{sup 1}H TROSY-HSQC spectra, and are illustrated for a 71-nucleotide adenine riboswitch. Results compare favorably with those of conventional frequency-based measurements in terms of completeness and convenience of use. The ARTSY method derives the size of the coupling from the ratio of intensities observed in two TROSY-HSQC spectra recorded with different dephasing delays, thereby minimizing potential resonance overlap problems. Precision of the RDC measurements is limited by the signal-to-noise ratio, S/N, achievable in the 2D TROSY-HSQC reference spectrum, and is approximately given by 30/(S/N) Hz for {sup 15}N-{sup 1}H and 65/(S/N) Hz for {sup 13}C-{sup 1}H. The signal-to-noise ratio of both {sup 1}H-{sup 15}N and {sup 1}H-{sup 13}C spectra greatly benefits when water magnetization during the experiments is not perturbed, such that rapid magnetization transfer from bulk water to the nucleic acid, mediated by rapid amino and hydroxyl hydrogen exchange coupled with {sup 1}H-{sup 1}H NOE transfer, allows for fast repetition of the experiment. RDCs in the mutated helix 1 of the riboswitch are compatible with nucleotide-specifically modeled, idealized A-form geometry and a static orientation relative to the helix 2/3 pair, which differs by ca 6 Degree-Sign relative to the X-ray structure of the native riboswitch.

  9. Effects Of Elevated Ozone On Leaf {delta} {sup 13} C And Leaf Conductance Of Plant Species Grown In Semi-Natural Grassland With Or Without Irrigation

    Energy Technology Data Exchange (ETDEWEB)

    Jaeggi, M.; Saurer, M.; Volk, M. [Agroscope-FAL (Switzerland); Fuhrer, J. [Agroscope-FAL (Switzerland)

    2005-03-01

    At the Swiss prealpine site Le Mouret (754 m a.s.l. 46deg 45min N / 7deg 10min E), semi-natural grassland species were kept under ambient or elevated ozone, paired with or without additional irrigation. Two of the four investigated grassland species showed an additive increase in {sup 13}C-values under drought and elevated ozone conditions. (author)

  10. 7-epi-griffonilide, a new lactone from Bauhinia pentandra: complete {sup 1}H and {sup 13}C chemical shift assignments

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Macia C.S. de; Souza, Luciana G.S.; Ferreira, Daniele A.; Pinto, Francisco C.L.; Santiago, Gilvandete M.P.; Monte, Francisco J.Q.; Lemos, Telma L.G., E-mail: fmonte@dqoi.ufc.br [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil); Oliveira, Debora R. de; Braz-Filho, Raimundo [Universidade Federal Rural do Rio de Janeiro (UFRRJ), Seropedica, RJ (Brazil). Departamento de Quimica

    2017-09-01

    A new lactone, 7-epi-griffonilide (1), and six known compounds, 2, 3a - 3c, 4a and 4b, were isolated from the leaves of Bauhinia pentandra (Fabaceae). The structures elucidation of 1 and 2 were based on detailed 2D NMR techniques and spectral comparison with related compounds, leading to complete assignment of the {sup 1}H and {sup 13}C NMR spectra. (author)

  11. {sup 1}H and {sup 13}C NMR spectroscopy of 5-methyl-5H-indole-[2,3-b]quinoline; Spektroskopia {sup 1}H i {sup 13}C NMR 5-metylo-5H-indole-[2,3-b]chinoliny

    Energy Technology Data Exchange (ETDEWEB)

    Kamienska-Trela, K.; Kania, L.; Kaczmarek, L. [Inst. Chemii Organicznej, Polska Akademia Nauk, Warsaw (Poland)

    1994-12-31

    {sup 1}H and {sup 13}C NMR spectra of 5-methyl-5H-indole quinoline have been measured in CDCl{sub 3} solution. The full assignation of resonant signals observed for this compound has been done. Also the chemical shifts {delta}({sup 1}H) and {delta}({sup 13}C) have been determined. That parameters as being tightly dependent on electronic density in molecule are very important also from the view point of biological activity of investigated compound. 3 refs, 1 fig., 1 tab.

  12. Synthesis of {sup 13}C- and {sup 14}C-labeled 1192U90, an ortho-amino benzamide with a preclinical atypical antipsychotic profile

    Energy Technology Data Exchange (ETDEWEB)

    Norman, M.H.; Gabriel, S.D. [Glaxo Wellcome Inc., Research Triangle Park, NC (United States)

    1996-03-01

    Three isotopic forms of potential antipsychotic agent 1192U90 (2-amino-N-(4-(4-(1,2-benzisthiazol-3-yl)-piperazinyl)butyl)benzam ide) were synthesized: one containing {sup 13}C-isotopes and two containing {sup 14}C-isotopes. The compound in which the ortho-amino benzamide ring is completely {sup 13}C-labeled was prepared in a four-step sequence starting from [{sup 13}C{sub 6}]aniline. The {sup 14}C-labeled compounds were prepared by methods analogous to those previously described for the unlabeled material. The key step involved the condensation of 3-(4-(4aminobutyl)-1-piperazinyl)-1,2-benzisothiazole with isatoic anhydride. The first {sup 14}C-labeled compound (3) was prepared from {sup 14}C-labeled 3-(4-(4-aminobutyl)-1-piperazinyl)-1,2-benzisothiazole, while the second compound (4) derived its isotopic label from [{sup 14}C]isatoic anhydride. Compound 3 had a specific activity of 26.55 mCi/mmol, a radiochemical purity of 99.3%, and a radiochemical yield of 3.4%. Compound 4 had a specific activity of 22.67 mCi/mmol and a radiochemical purity of 99.2%. (author).

  13. Impact of carbohydrate supply on stem growth, wood and respired CO{sub 2} {delta}{sup 13}C : assessment by experimental girdling

    Energy Technology Data Exchange (ETDEWEB)

    Maunoury-Danger, F. [Paris-Sud Univ., Orsay Cedex (France). Laboratoire Ecologie, Systematique et Evolution; Centre National de la Recherche Scientifique, Orsay CEDEX (France); AgroParisTech, Paris (France); Paul Verlaine-Metz Univ., Metz (France). Laboratoire des Interactions Ecotoxicologie Biodiversite Ecosystemes; Fresneau, C.; Eglin, T.; Berveiller, D.; Francois, C.; Damesin, C. [Paris-Sud Univ., Orsay Cedex (France). Laboratoire Ecologie, Systematique et Evolution; Centre National de la Recherche Scientifique, Orsay CEDEX (France); AgroParisTech, Paris (France); Lelarge-Trouverie, C. [Paris-Sud Univ., Orsay Cedex (France). Inst. de Biotechnologie des Plantes, Plateforme Metabolisme-Metabolome

    2010-07-15

    In trees, carbohydrate storage and remobilization may affect the carbon isotope signals of sugars exported from leaves, tree organic matter and respired carbon dioxide (CO{sub 2}). This study characterized the impact of a change in the carbon (C) source used for stem functioning on the {delta}{sup 13} C of stem organic matter and respired CO{sub 2}. Girdling experiments were carried out on 2-year old oaks that consisted in removing the bark and phloem around the stem so that the sap would cease to flow. The stem was therefore forced to use its own C reserves to maintain metabolic activity. Trees were girdled at 3 different periods, notably just after budburst, during stem growth, and just after cessation of stem radial growth. Stem radial growth and respiration rate were measured throughout the year. Other measured variables included {delta}{sup 13} C of respired CO{sub 2} and contents of starch and water-soluble fraction in stems and leaves. The study showed that girdling stopped growth, even early in the growing season, leading to a decrease in stem CO{sub 2} efflux. The study demonstrated that leaf carbohydrate supply versus reserve use could be an important factor controlling stem growth and {delta}{sup 13} C of both ring and stem CO{sub 2} efflux. 69 refs., 3 tabs., 5 figs.

  14. Raman spectroscopy of isotopically pure ({sup 12}C, {sup 13}C) and isotopically mixed ({sup 12.5}C) diamond single crystals at ultrahigh pressures

    Energy Technology Data Exchange (ETDEWEB)

    Enkovich, P. V., E-mail: enkovich@hppi.troitsk.ru; Brazhkin, V. V.; Lyapin, S. G.; Novikov, A. P. [Russian Academy of Sciences, Troitsk, Institute for High-Pressure Physics (Russian Federation); Kanda, H. [National Institute for Materials Science (Japan); Stishov, S. M. [Russian Academy of Sciences, Troitsk, Institute for High-Pressure Physics (Russian Federation)

    2016-09-15

    The Raman scattering by isotopically pure {sup 12}C and {sup 13}C diamond single crystals and by isotopically mixed {sup 12.5}C diamond single crystals is studied at a high accuracy. The studies are performed over a wide pressure range up to 73 GPa using helium as a hydrostatic pressure-transferring medium. It is found that the quantum effects, which determine the difference between the ratio of the Raman scattering frequencies in the {sup 12}C and {sup 13}C diamonds and the classical ratio (1.0408), increase to 30 GPa and then decrease. Thus, inversion in the sign of the quantum contribution to the physical properties of diamond during compression is detected. Our data suggest that the maximum possible difference between the bulk moduli of the {sup 12}C and {sup 13}C diamonds is 0.15%. The investigation of the isotopically mixed {sup 12.5}C diamond shows that the effective mass, which determines the Raman frequency, decreases during compression from 12.38 au at normal pressure to 12.33 au at 73 GPa.

  15. One-azabicyclic compounds. 22. Stereochemistry and /sup 13/C NMR spectra of salts of pyrrolizidine and its homologs with protonic acids

    Energy Technology Data Exchange (ETDEWEB)

    Subbotin, O.A.; Skvortsov, I.M.

    1986-06-01

    /sup 13/C NMR spectra were obtained for pyrrolizidinium salts and their homologs and their signals were assigned. With the exception of highly strained cis-3,8-H-cis-5,8-H-3,5-dimethylpyrrolizidine (VI), all the bases studied upon their direct mixing with CF/sub 3/CO/sub 2/H form salts only with cis-fused rings in the cation. Mixtures of salts with cis- and trans-fused pyrrolizidinium fragments are formed upon the reaction of cis-3,8-H-methyl- (III) and cis-3,8-H-cis-5,8-H-3,5-dimethylpyrrolizidine (VI) under conditions close to those for kinetically-controlled amine protonation. The /sup 13/C NMR spectra of the isomeric pyrrolizidinium salts obtained as a result of the absorption of base VI by sulfuric acid were used to evaluate the conformational equilibrium in the starting compound VI. The /sup 13/C NMR chemical shifts of unsubstituted trans-fused pyrrolizidinium salts were predicted.

  16. Sequence-specific {sup 1}H, {sup 13}C, and {sup 15}N resonance assignments for intestinal fatty-acid-binding protein complexed with palmitate (15.4 kDA)

    Energy Technology Data Exchange (ETDEWEB)

    Hodsdon, M.E.; Toner, J.J.; Cistola, D.P. [Washington Univ. School of Medicine, St. Louis, MO (United States)

    1994-12-01

    Intestinal fatty-acid-binding protein (I-FABP) belongs to a family of soluble, cytoplasmic proteins that are thought to function in the intracellular transport and trafficking of polar lipids. Individual members of this protein family have distinct specificities and affinities for fatty acids, cholesterol, bile salts, and retinoids. We are comparing several retinol- and fatty-acid-binding proteins from intestine in order to define the factors that control molecular recognition in this family of proteins. We have established sequential resonance assignments for uniformly {sup 13}C/{sup 15}N-enriched I-FABP complexed with perdeuterated palmitate at pH7.2 and 37{degrees}C. The assignment strategy was similar to that introduced for calmodulin. We employed seven three-dimensional NMR experiments to establish scalar couplings between backbone and sidechain atoms. Backbone atoms were correlated using triple-resonance HNCO, HNCA, TOCSY-HMQC, HCACO, and HCA(CO)N experiments. Sidechain atoms were correlated using CC-TOCSY, HCCH-TOCSY, and TOCSY-HMQC. The correlations of peaks between three-dimensional spectra were established in a computer-assisted manner using NMR COMPASS (Molecular Simulations, Inc.) Using this approach, {sup 1}H, {sup 13}C, and {sup 15}N resonance assignments have been established for 120 of the 131 residues of I-FABP. For 18 residues, amide {sup 1}H and {sup 15}N resonances were unobservable, apparently because of the rapid exchange of amide protons with bulk water at pH 7.2. The missing amide protons correspond to distinct amino acid patterns in the protein sequence, which will be discussed. During the assignment process, several sources of ambiguity in spin correlations were observed. To overcome this ambiguity, the additional inter-residue correlations often observed in the HNCA experiment were used as cross-checks for the sequential backbone assignments.

  17. High-spin nuclear traps

    International Nuclear Information System (INIS)

    Walker, P.; Dracoulis, G.

    1994-01-01

    The reaction pathways in stars, where all the heavy elements in the Universe were formed, are inextricably linked with isomers that live long enough to capture a neutron or proton before they decay. These isomers usually have excitation energies below 0.1 MeV. It is also possible to find highly excited isomers, with several MeV of excitation energy, that are trapped because of their large angular momentum (or spin). But attempts to understand the long-lived highly excited isomers, sometimes known as ''spin traps'', have been hampered by the difficulty of producing this exotic form of nuclear matter. Now, a new generation of radioactive ion beams promises a revolution in the study of high-spin nuclear traps. (author)

  18. Accurate and sensitive determination of molar fractions of {sup 13}C-Labeled intracellular metabolites in cell cultures grown in the presence of isotopically-labeled glucose

    Energy Technology Data Exchange (ETDEWEB)

    Fernández-Fernández, Mario [Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, Julián Clavería 8, 33006 Oviedo (Spain); Rodríguez-González, Pablo, E-mail: rodriguezpablo@uniovi.es [Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, Julián Clavería 8, 33006 Oviedo (Spain); Hevia Sánchez, David; González-Menéndez, Pedro; Sainz Menéndez, Rosa M. [University Institute of Oncology (IUOPA), University of Oviedo, Julián Clavería 6, 33006 Oviedo (Spain); García Alonso, J. Ignacio [Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, Julián Clavería 8, 33006 Oviedo (Spain)

    2017-05-29

    This work describes a methodology based on multiple linear regression and GC-MS for the determination of molar fractions of isotopically-labeled intracellular metabolites in cell cultures. Novel aspects of this work are: i) the calculation of theoretical isotopic distributions of the different isotopologues from an experimentally measured value of % 13C enrichment of the labeled precursor ii) the calculation of the contribution of lack of mass resolution of the mass spectrometer and different fragmentation mechanism such as the loss or gain of hydrogen atoms in the EI source to measure the purity of the selected cluster for each metabolite and iii) the validation of the methodology not only by the analysis of gravimetrically prepared mixtures of isotopologues but also by the comparison of the obtained molar fractions with experimental values obtained by GC-Combustion-IRMS based on {sup 13}C/{sup 12}C isotope ratio measurements. The method is able to measure molar fractions for twenty-eight intracellular metabolites derived from glucose metabolism in cell cultures grown in the presence of {sup 13}C-labeled Glucose. The validation strategies demonstrate a satisfactory accuracy and precision of the proposed procedure. Also, our results show that the minimum value of {sup 13}C incorporation that can be accurately quantified is significantly influenced by the calculation of the spectral purity of the measured cluster and the number of {sup 13}C atoms of the labeled precursor. The proposed procedure was able to accurately quantify gravimetrically prepared mixtures of natural and labeled glucose molar fractions of 0.07% and mixtures of natural and labeled glycine at molar fractions down to 0.7%. The method was applied to initial studies of glucose metabolism of different prostate cancer cell lines. - Highlights: • Determination of molar fractions of {sup 13}C-labeled metabolites in cell cultures. • The method is based on multiple linear regression and GC-MS.

  19. Application of {sup 13}C and {sup 15}N stable isotope probing to characterize RDX degrading microbial communities under different electron-accepting conditions

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Kun-Ching; Lee, Do Gyun [Zachry Department of Civil Engineering, Texas A& M University, College Station, TX 77843-3136 (United States); Fuller, Mark E.; Hatzinger, Paul B.; Condee, Charles W. [CB& I Federal Services, Lawrenceville, NJ (United States); Chu, Kung-Hui, E-mail: kchu@civil.tamu.edu [Zachry Department of Civil Engineering, Texas A& M University, College Station, TX 77843-3136 (United States)

    2015-10-30

    Highlights: • SIP characterized RDX-degrading communities under different e-accepting conditions. • Dominant RDX degradation pathways differed under different e-accepting conditions. • More complete detoxification of RDX occurred under methanogenic and sulfate-reducing conditions than under manganese(IV) and iron(III)-reducing conditions. - Abstract: This study identified microorganisms capable of using the explosive hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) or its metabolites as carbon and/or nitrogen sources under different electron-accepting conditions using {sup 13}C and {sup 15}N stable isotope probing (SIP). Mesocosms were constructed using groundwater and aquifer solids from an RDX-contaminated aquifer. The mesocosms received succinate as a carbon source and one of four electron acceptors (nitrate, manganese(IV), iron(III), or sulfate) or no additional electron acceptor (to stimulate methanogenesis). When RDX degradation was observed, subsamples from each mesocosm were removed and amended with {sup 13}C{sub 3}- or ring-{sup 15}N{sub 3}-, nitro-{sup 15}N{sub 3}-, or fully-labeled {sup 15}N{sub 6}-RDX, followed by additional incubation and isolation of labeled nucleic acids. A total of fifteen 16S rRNA sequences, clustering in α- and γ-Proteobacteria, Clostridia, and Actinobacteria, were detected in the {sup 13}C-DNA fractions. A total of twenty seven sequences were derived from different {sup 15}N-DNA fractions, with the sequences clustered in α- and γ-Proteobacteria, and Clostridia. Interestingly, sequences identified as Desulfosporosinus sp. (in the Clostridia) were not only observed to incorporate the labeled {sup 13}C or {sup 15}N from labeled RDX, but also were detected under each of the different electron-accepting conditions. The data suggest that {sup 13}C- and {sup 15}N-SIP can be used to characterize microbial communities involved in RDX biodegradation, and that the dominant pathway of RDX biodegradation may differ under different

  20. High-spin nuclear spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Diamond, R.M.

    1986-07-01

    High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)

  1. {sup 2}H NMR and {sup 13}C-IRMS analyses of acetic acid from vinegar, {sup 18}O-IRMS analysis of water in vinegar: International collaborative study report

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Freddy [Eurofins Scientific Analytics, BP42301, 44323 Nantes (France); Jamin, Eric, E-mail: ericjamin@eurofins.com [Eurofins Scientific Analytics, BP42301, 44323 Nantes (France)

    2009-09-01

    An international collaborative study of isotopic methods applied to control the authenticity of vinegar was organized in order to support the recognition of these procedures as official methods. The determination of the {sup 2}H/{sup 1}H ratio of the methyl site of acetic acid by SNIF-NMR (site-specific natural isotopic fractionation-nuclear magnetic resonance) and the determination of the {sup 13}C/{sup 12}C ratio, by IRMS (isotope ratio mass spectrometry) provide complementary information to characterize the botanical origin of acetic acid and to detect adulterations of vinegar using synthetic acetic acid. Both methods use the same initial steps to recover pure acetic acid from vinegar. In the case of wine vinegar, the determination of the {sup 18}O/{sup 16}O ratio of water by IRMS allows to differentiate wine vinegar from vinegars made from dried grapes. The same set of vinegar samples was used to validate these three determinations. The precision parameters of the method for measuring {delta}{sup 13}C (carbon isotopic deviation) were found to be similar to the values previously obtained for similar methods applied to wine ethanol or sugars extracted from fruit juices: the average repeatability (r) was 0.45 per mille , and the average reproducibility (R) was 0.91 per mille . As expected from previous in-house study of the uncertainties, the precision parameters of the method for measuring the {sup 2}H/{sup 1}H ratio of the methyl site were found to be slightly higher than the values previously obtained for similar methods applied to wine ethanol or fermentation ethanol in fruit juices: the average repeatability was 1.34 ppm, and the average reproducibility was 1.62 ppm. This precision is still significantly smaller than the differences between various acetic acid sources ({delta}{sup 13}C and {delta}{sup 18}O) and allows a satisfactory discrimination of vinegar types. The precision parameters of the method for measuring {delta}{sup 18}O were found to be similar

  2. Out-and-back {sup 13}C-{sup 13}C scalar transfers in protein resonance assignment by proton-detected solid-state NMR under ultra-fast MAS

    Energy Technology Data Exchange (ETDEWEB)

    Barbet-Massin, Emeline; Pell, Andrew J. [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France); Jaudzems, Kristaps [Latvian Institute of Organic Synthesis (Latvia); Franks, W. Trent; Retel, Joren S. [Leibniz-Institut fuer Molekulare Pharmakologie (Germany); Kotelovica, Svetlana; Akopjana, Inara; Tars, Kaspars [Biomedical Research and Study Center (Latvia); Emsley, Lyndon [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France); Oschkinat, Hartmut [Leibniz-Institut fuer Molekulare Pharmakologie (Germany); Lesage, Anne; Pintacuda, Guido, E-mail: guido.pintacuda@ens-lyon.fr [University of Lyon, CNRS/ENS Lyon/UCB Lyon 1, Centre de RMN a Tres Hauts Champs (France)

    2013-08-15

    We present here {sup 1}H-detected triple-resonance H/N/C experiments that incorporate CO-CA and CA-CB out-and-back scalar-transfer blocks optimized for robust resonance assignment in biosolids under ultra-fast magic-angle spinning (MAS). The first experiment, (H)(CO)CA(CO)NH, yields {sup 1}H-detected inter-residue correlations, in which we record the chemical shifts of the CA spins in the first indirect dimension while during the scalar-transfer delays the coherences are present only on the longer-lived CO spins. The second experiment, (H)(CA)CB(CA)NH, correlates the side-chain CB chemical shifts with the NH of the same residue. These high sensitivity experiments are demonstrated on both fully-protonated and 100 %-H{sup N} back-protonated perdeuterated microcrystalline samples of Acinetobacter phage 205 (AP205) capsids at 60 kHz MAS.

  3. Application of {sup 13}C NMR spectroscopy for assessment of conversion factor in copolymers: S/MA; S/MMA, MS/MA, MS/MMA; Zastosowanie spektroskopii {sup 13}C-NMR do oceny stopnia przemiennosci kopolimerow S/MA, S/MMA, MS/MA, MS/MMA

    Energy Technology Data Exchange (ETDEWEB)

    Chmielewski, A.; Zurakowska-Orszagh, J. [Instytut Przemyslu Gumowego ``Stomil``, Piastow (Poland); Makulski, W. [Faculty of Chemistry, Warsaw Univ. (Poland)

    1994-12-31

    {sup 13} C NMR has been used for investigation of copolymerization process. The molecular structure otherwise the mere sequence in copolymer chain has been defined in four systems as follows: S/MA, S/MMA, MS/MMA and MS/MMA. 19 refs, 6 figs, 3 tabs.

  4. Nuclear Spin Relaxation

    Indian Academy of Sciences (India)

    IAS Admin

    In the context of nuclear magnetic resonance (NMR), the term relaxation indicates the process by which the magnetic atomic nuclei reach thermal equilibrium with the chaotic molecular environment. In NMR, this process can be very slow, requiring between a fraction of a second to many minutes, depending on the.

  5. Chemotaxonomy of three genera of the Annonaceae family using self-organizing maps and {sup 13}C NMR data of diterpenes

    Energy Technology Data Exchange (ETDEWEB)

    Scotti, Luciana; Tavares, Josean Fechine; Silva, Marcelo Sobral da [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Dept. de Ciencias Farmaceuticas; Falcao, Emanuela Viana; Silva, Luana de Morais e; Soares, Gabriela Cristina da Silva; Scotti, Marcus Tullius, E-mail: mtscotti@ccae.ufpb.br [Universidade Federal da Paraiba (UFPB), Rio Tinto, PB (Brazil). Dept. de Engenharia e Meio Ambiente

    2012-07-01

    The Annonaceae family is distributed throughout Neotropical regions of the world. In Brazil, it covers nearly all natural formations particularly Annona, Xylopia and Polyalthia and is characterized chemically by the production of sources of terpenoids (mainly diterpenes), alkaloids, steroids, polyphenols and, flavonoids. Studies from {sup 13}C NMR data of diterpenes related with their botanical occurrence were used to generate self-organizing maps. Results corroborate those in the literature obtained from morphological and molecular data for three genera and the model can be used to project other diterpenes. Therefore, the model produced can predict which genera are likely to contain a compound. (author)

  6. Resonance analysis of the {sup 12}C,{sup 13}C({alpha},n) reactions and evaluation of neutron yield data of the reaction

    Energy Technology Data Exchange (ETDEWEB)

    Murata, Toru [AITEL Corp., Tokyo (Japan)

    1998-03-01

    The {sup 12}C({alpha},n){sup 15}O reaction and the {sup 13}C({alpha},n){sup 16}O reaction were analyzed with a resonance formula in the incident {alpha}-particle energy range of 1.0 to 16.0 MeV. With the obtained resonance parameters, branching ratios of the emitted neutrons to the several levels of the residual nucleus and their angular distributions were calculated to obtain the energy spectrum of emitted neutrons. Thick target neutron yield of carbon were also calculated and compared with the experimental data. (author)

  7. More than a century of Grain for Green Program is expected to restore soil carbon stock on alpine grassland revealed by field {sup 13}C pulse labeling

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qi; Chen, Dongdong; Zhao, Liang [Key Laboratory of Adaptation and Evolution of Plateau Biota, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining 810008, Qinghai (China); Yang, Xue [Department of Education of Qinghai Province, Xining 810008, Qinghai (China); Xu, Shixiao [Key Laboratory of Adaptation and Evolution of Plateau Biota, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining 810008, Qinghai (China); Zhao, Xinquan, E-mail: xqzhao@nwipb.cas.cn [Key Laboratory of Adaptation and Evolution of Plateau Biota, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining 810008, Qinghai (China); Chengdu Institute of Biology, Chinese Academy of Sciences, Chengdu 10041, Sichuan (China)

    2016-04-15

    Anthropogenic changes in land use/cover have altered the vegetation, soil, and carbon (C) cycling on the Qinghai–Tibetan Plateau (QTP) over the last ~ 50 years. As a result, the Grain for Green Program (GfGP) has been widely implemented over the last 10 years to mitigate the impacts of cultivation. To quantify the effects of the GfGP on C partitioning and turnover rates at the ecosystem scale, an in situ {sup 13}C pulse labeling experiment was conducted on natural and GfGP grasslands in an agro-pastoral ecotone in the Lake Qinghai region on the QTP. We found that there were significant differences in the C stocks of all the considered pools in both the natural and GfGP grasslands, with higher CO{sub 2} uptake rates in the GfGP grassland than that in the natural grassland. Partitioning of photoassimilate (% of recovered {sup 13}C) in C pools of both grasslands was similar 25 days after labeling, except in the roots of the 0–15 and 5–15 cm soil layer. Soil organic C (SOC) sequestration rate in the GfGP grassland was 11.59 ± 1.89 g C m{sup −2} yr{sup −1} significantly greater than that in the natural grassland. The results confirmed that the GfGP is an efficient approach for grassland restoration and C sequestration. However, it will take more than a century (119.19 ± 20.26 yr) to restore the SOC stock from the current cropland baseline level to the approximate level of natural grassland. We suggest that additional measures are needed in the selection of suitable plant species for vegetation restoration, and in reasonable grazing management. - Highlights: • Grain for Green Project initiated in 1999 converts cropland to grassland/shrubland. • Impact of Grain for Green on carbon cycling on Qinghai–Tibetan Plateau is unknown. • Effects on carbon partitioning and turnover were accessed by {sup 13}CO{sub 2} pulse labeling. • Different mass of {sup 13}C in excess, similar {sup 13}C partitioning are shown in grasslands. • Soil organic carbon of

  8. Seasonal variations of {sup 14}C and δ{sup 13}C for cave drip waters in Ryugashi Cave, Shizuoka Prefecture, central Japan

    Energy Technology Data Exchange (ETDEWEB)

    Minami, Masayo, E-mail: minami@nendai.nagoya-u.ac.jp [Center for Chronological Research, Nagoya University, Nagoya 464-8602 (Japan); Kato, Tomomi [Graduate School of Environmental Studies, Nagoya University, Nagoya 464-8601 (Japan); Horikawa, Keiji [Department of Environmental Biology and Chemistry, Toyama University, Toyama 930-8555 (Japan); Nakamura, Toshio [Center for Chronological Research, Nagoya University, Nagoya 464-8602 (Japan)

    2015-11-01

    Speleothem {sup 14}C has recently emerged as a potentially powerful proxy for hydrology changes in comparison with atmospheric {sup 14}C calibration curve, rather than as a direct dating tool, apart from a time marker using bomb peak of {sup 14}C. Some possible causes for the relationship between speleothem {sup 14}C content (or dead carbon fraction: DCF) and karst hydrology have been proposed, such as changes in temperature, precipitation, drip water flow dynamics, cave air ventilation, soil air pCO{sub 2}. In this study, we investigated seasonal variation in {sup 14}C and δ{sup 13}C of drip water in Ryugashi Cave, Shizuoka Prefecture, central Japan, to examine the causes of the {sup 14}C and δ{sup 13}C variations in a speleothem. The results show that different {sup 14}C concentrations and δ{sup 13}C values of drip water from the Ryugashi Cave, were exhibited at different sites of the Caves No. 1, No. 3, and No. 4, which have different temperature, air pCO{sub 2}, and flow paths. Further, the {sup 14}C and δ{sup 13}C of drip waters showed seasonal variations at all sites, which were lower in fall and winter, and higher in spring and summer, though the extent of the variations was different among the sites. The {sup 14}C in drip waters tended to be correlated with the drip rates: {sup 14}C tended to be higher in drip waters with higher drip rates, and also correlated with rainfall amount around the Ryugashi Cave, especially for the drip waters in Cave No. 3, which are considered to have simpler flow paths. The increase in rainfall amount could bring the increase in drip rate of drip water, and then the decrease in interaction between solution and karst, resulting in {sup 14}C increase (DCF decrease) in drip water. Accordingly, the reconstruction of precipitation could be performed using {sup 14}C variation in a speleothem formed by drip water with simple flow dynamics.

  9. Isotopic variations ({delta}{sup 13} C and {delta}{sup 18} O) in Siderastrea stellata (Cnidaria-Anthozoa), Itamaraca island, State of Pernambuco, Northeastern Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Valderez P.; Sial, Alcides N. [Pernambuco Univ., Recife, PE (Brazil). Dept. de Geologia. Lab. de Isotopos Estaveis; Mayeal, Elga M.; Exner, Marco Antonio [Pernambuco Univ., Recife, PE (Brazil). Dept. de Zoologia. Lab. de Macro e Megabentos

    1998-12-01

    Isotopic determinations for O and C were performed in coral skeletons collected in beach rocks from two localities (Orange and Catuama), Itamaraca Island, north littoral of the State of pernambuco, northeastern Brazil. Large variations of {delta}{sup 18} O and {delta}{sup 13} C in corals from both localities are found, the largest ones being observed at the Orange locality {delta}{sup 13} C in this locality varies from -0.8 to +1.8% PDB and {delta}{sup 1.8} O from -5.3 to -1.8% PDB, while at the Catuama locality, they vary from -1.8 to 0.1% PDB and -3.8 to -2.7% PDB, respectively. Large variations in {delta}{sup 18} O (up to 2.5%) coupled with weakly defined positive correlation between {delta}{sup 18} O and {delta}{sup 13} C, can be attributed to temperature variations as consequence of climatic perturbations. Temperature estimates, calculated from {delta}{sup 18} O values, assuming isotopic equilibrium with seawater, yield values between 24.9 deg C and 43.1 deg C at Orange, and from 28.4 deg C to 35 deg C at Catuama, all of them (expect one growth band from one sample) are high enough for the full development of the coral colony. Temperature average is 31.4 deg C at Orange, which is a little bit higher than that at Catuama, but both of them indicate thermal stress conditions. In all analyzed specimens, expect for one, at Orange, T increases was accompanied by decreasing in the organic activity, as suggested by corresponding negative {delta}{sup 13} C anomaly. Therefore, the observed bleaching is possibly related to thermal stress and the high T may be related to the El Nino-Southern Oscillation (ENSO) warning event. On the other hand, anthropogenic action at Orange, local of intense tourism throughout the year, coupled with high rate of sedimentation in the region, may contribute to the observed coral bleaching. (author)

  10. QED approach to the nuclear spin-spin coupling tensor

    International Nuclear Information System (INIS)

    Romero, Rodolfo H.; Aucar, Gustavo A.

    2002-01-01

    A quantum electrodynamical approach for the calculation of the nuclear spin-spin coupling tensor of nuclear-magnetic-resonance spectroscopy is given. Quantization of radiation fields within the molecule is considered and expressions for the magnetic field in the neighborhood of a nucleus are calculated. Using a generalization of time-dependent response theory, an effective spin-spin interaction is obtained from the coupling of nuclear magnetic moments to a virtual quantized magnetic field. The energy-dependent operators obtained reduce to usual classical-field expressions at suitable limits

  11. Auto-inducing media for uniform isotope labeling of proteins with {sup 15}N, {sup 13}C and {sup 2}H

    Energy Technology Data Exchange (ETDEWEB)

    Guthertz, Nicolas [Institute of Cancer Research, Division of Structural Biology (United Kingdom); Klopp, Julia; Winterhalter, Aurélie; Fernández, César; Gossert, Alvar D., E-mail: alvar.gossert@novartis.com [Novartis Institutes for BioMedical Research (Switzerland)

    2015-06-15

    Auto-inducing media for protein expression offer many advantages like robust reproducibility, high yields of soluble protein and much reduced workload. Here, an auto-inducing medium for uniform isotope labelling of proteins with {sup 15}N, {sup 13}C and/or {sup 2}H in E. coli is presented. So far, auto-inducing media have not found widespread application in the NMR field, because of the prohibitively high cost of labeled lactose, which is an essential ingredient of such media. Here, we propose using lactose that is only selectively labeled on the glucose moiety. It can be synthesized from inexpensive and readily available substrates: labeled glucose and unlabeled activated galactose. With this approach, uniformly isotope labeled proteins were expressed in unattended auto-inducing cultures with incorporation of {sup 13}C, {sup 15}N of 96.6 % and {sup 2}H, {sup 15}N of 98.8 %. With the present protocol, the NMR community could profit from the many advantages that auto-inducing media offer.

  12. {sup 37}Cl, {sup 15}N, {sup 13}C isotopic analysis of common agro-chemicals for identifying non-point source agricultural contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Annable, W.K. [Department of Civil and Environmental Engineering, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada)]. E-mail: wkannabl@uwaterloo.ca; Frape, S.K. [Department of Earth Sciences, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Shouakar-Stash, O. [Department of Earth Sciences, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Shanoff, T. [Department of Earth Sciences, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Drimmie, R.J. [Department of Earth Sciences, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Harvey, F.E. [School of Natural Resources, University of Nebraska, Lincoln, NE 68588-0517 (United States)

    2007-07-15

    The isotopic compositions of commercially available herbicides were analyzed to determine their respective {sup 15}N, {sup 13}C and {sup 37}Cl signatures for the purposes of developing a discrete tool for tracing and identifying non-point source contaminants in agricultural watersheds. Findings demonstrate that of the agrochemicals evaluated, chlorine stable isotopes signatures range between {delta}{sup 37}Cl = -4.55 per mille and +3.40 per mille , whereas most naturally occurring chlorine stable isotopes signatures, including those of road salt, sewage sludge and fertilizers, vary in a narrow range about the Standard Mean Ocean Chloride (SMOC) between -2.00 per mille and +1.00 per mille . Nitrogen stable isotope values varied widely from {delta}{sup 15}N = -10.86 per mille to +1.44 per mille and carbon stable isotope analysis gave an observed range between {delta}{sup 13}C = -37.13 per mille and -21.35 per mille for the entire suite of agro-chemicals analyzed. When nitrogen, carbon and chlorine stable isotope analyses were compared in a cross-correlation analysis, statistically independent isotopic signatures exist suggesting a new potential tracer tool for identifying herbicides in the environment.

  13. Nuclear spin polarization of targets

    International Nuclear Information System (INIS)

    Happer, W.

    1990-01-01

    Lasers can be used to produce milligrams to grams of noble gas nuclei with spin polarizations in excess of 50%. These quantities are sufficient to be very useful targets in nuclear physics experiments. Alkali-metal atoms are used to capture the angular momentum of circularly polarized laser photons, and the alkali-metal atoms transfer their angular momentum to noble gas atoms in binary or three-body collisions. Non-radiative collisions between the excited alkali atoms and molecular quenching gases are essential to avoid radiation trapping. The spin exchange can involve gas-phase van der Waals molecules, consisting of a noble gas atom and an alkali metal atom. Surface chemistry is also of great importance in determining the wall-induced relaxation rates of the noble gases

  14. Synthesis, spectral investigation (/sup 1/H, /sup 13/C) of new (N, O and S based) schiff bases and evaluation of their antimicrobial activities

    International Nuclear Information System (INIS)

    Khosa, M.K.; Nisar, M.; Jamal, M.A.; Yousaf, M.; Chatha, S.A.S.; Zia, K.M.

    2011-01-01

    Three new series of biologically active amino substituted Schiff bases (1-12) with general formula, R/sub 1/N=CHR/sub 2/ (R/sub 1/ 2-amino-benzthiazole, 4-amino-salicylic acid and 4-aminophenol; R/sub 2/ benzaldehyde, 2-chloro-benzaldehyde, 4-chloro-benzaldehyde, salicylaldehyde and vanillin) were synthesized by the reaction of three different amino substituted compounds and substituted aldehydes in ethanol. The synthesized compounds were characterized by different physico-chemical techniques like, melting point, elemental analysis, multinuclear NMR (/sup 1/H, /sup 13/C). The compounds were subjected for bioassay screening and showed promising antibacterial and antifungal activities using Amoxicillin and Ciprofloxacin as standard drugs. (author)

  15. Pan-Arctic concentrations of mercury and stable isotope ratios of carbon (δ{sup 13}C) and nitrogen (δ{sup 15}N) in marine zooplankton

    Energy Technology Data Exchange (ETDEWEB)

    Pomerleau, Corinne, E-mail: corinne.pomerleau@umanitoba.ca [Centre for Earth Observation Science, University of Manitoba, Winnipeg, MB R3T 2N2 (Canada); Greenland Institute of Natural Resources, Kivioq 2, Nuuk 3900, Greenland (Denmark); Stern, Gary A.; Pućko, Monika [Centre for Earth Observation Science, University of Manitoba, Winnipeg, MB R3T 2N2 (Canada); Foster, Karen L. [Foster Environmental, Peterborough, ON K9J 8L2 (Canada); Macdonald, Robie W. [Institute of Ocean Sciences, Fisheries and Oceans Canada, Sidney, BC V8L 4B2 (Canada); Fortier, Louis [Québec-Océan, Département de Biologie, Université Laval, Québec, QC G1V 0A6 (Canada)

    2016-05-01

    Zooplankton play a central role in marine food webs, dictating the quantity and quality of energy available to upper trophic levels. They act as “keystone” species in transfer of mercury (Hg) up through the marine food chain. Here, we present the first Pan-Arctic overview of total and monomethylmercury concentrations (THg and MMHg) and stable isotope ratios of carbon (δ{sup 13}C) and nitrogen (δ{sup 15}N) in selected zooplankton species by assembling data collected between 1998 and 2012 from six arctic regions (Laptev Sea, Chukchi Sea, southeastern Beaufort Sea, Canadian Arctic Archipelago, Hudson Bay and northern Baffin Bay). MMHg concentrations in Calanus spp., Themisto spp. and Paraeuchaeta spp. were found to increase with higher δ{sup 15}N and lower δ{sup 13}C. The southern Beaufort Sea exhibited both the highest THg and MMHg concentrations. Biomagnification of MMHg between Calanus spp. and two of its known predators, Themisto spp. and Paraeuchaeta spp., was greatest in the southern Beaufort Sea. Our results show large geographical variations in Hg concentrations and isotopic signatures for individual species related to regional ecosystem features, such as varying water masses and freshwater inputs, and highlight the increased exposure to Hg in the marine food chain of the southern Beaufort Sea. - Highlights: • Assessment of Pan-Arctic variability in zooplankton Hg concentrations • Increased exposure to Hg in the marine food chain of the southern Beaufort Sea • Zooplankton plays a central role in the Hg pathway within Arctic marine food webs.

  16. NMR ({sup 1}H and {sup 13}C) based signatures of abnormal choline metabolism in oral squamous cell carcinoma with no prominent Warburg effect

    Energy Technology Data Exchange (ETDEWEB)

    Bag, Swarnendu, E-mail: Swarna.bag@gmail.com [School of Medical Science and Technology, Indian Institute of Technology-Kharagpur, 721302 West Bengal (India); Banerjee, Deb Ranjan, E-mail: debranjan2@gmail.com [Department of Chemistry, Indian Institute of Technology-Kharagpur, 721302 West Bengal (India); Basak, Amit, E-mail: absk@chem.iitkgp.ernet.in [Department of Chemistry, Indian Institute of Technology-Kharagpur, 721302 West Bengal (India); Das, Amit Kumar, E-mail: amitk@hijli.iitkgp.ernet.in [Department of Biotechnology, Indian Institute of Technology-Kharagpur, 721302 West Bengal (India); Pal, Mousumi, E-mail: drmpal62@gmail.com [Department of Oral and Maxillofacial Pathology, Guru Nanak Institute of Dental Sciences and Research, Kolkata, West Bengal (India); Banerjee, Rita, E-mail: ritabanerjee@outlook.com [Department of Science and Technology, New Mehrauli Road, New Delhi 110016 (India); Paul, Ranjan Rashmi, E-mail: dr_rsspaul@yahoo.co.in [Department of Oral and Maxillofacial Pathology, Guru Nanak Institute of Dental Sciences and Research, Kolkata, West Bengal (India); Chatterjee, Jyotirmoy, E-mail: jchatterjee.iitkgp@gmail.com [School of Medical Science and Technology, Indian Institute of Technology-Kharagpur, 721302 West Bengal (India)

    2015-04-17

    At functional levels, besides genes and proteins, changes in metabolome profiles are instructive for a biological system in health and disease including malignancy. It is understood that metabolomic alterations in association with proteomic and transcriptomic aberrations are very fundamental to unravel malignant micro-ambient criticality and oral cancer is no exception. Hence deciphering intricate dimensions of oral cancer metabolism may be contributory both for integrated appreciation of its pathogenesis and to identify any critical but yet unexplored dimension of this malignancy with high mortality rate. Although several methods do exist, NMR provides higher analytical precision in identification of cancer metabolomic signature. Present study explored abnormal signatures in choline metabolism in oral squamous cell carcinoma (OSCC) using {sup 1}H and {sup 13}C NMR analysis of serum. It has demonstrated down-regulation of choline with concomitant up-regulation of its break-down product in the form of trimethylamine N-oxide in OSCC compared to normal counterpart. Further, no significant change in lactate profile in OSCC possibly indicated that well-known Warburg effect was not a prominent phenomenon in such malignancy. Amongst other important metabolites, malonate has shown up-regulation but D-glucose, saturated fatty acids, acetate and threonine did not show any significant change. Analyzing these metabolomic findings present study proposed trimethyl amine N-oxide and malonate as important metabolic signature for oral cancer with no prominent Warburg effect. - Highlights: • NMR ({sup 1}H and {sup 13}C) study of Oral Squamous cell Carcinoma Serum. • Abnormal Choline metabolomic signatures. • Up-regulation of Trimethylamine N-oxide. • Unchanged lactate profile indicates no prominent Warburg effect. • Proposed alternative glucose metabolism path through up-regulation of malonate.

  17. Sup(13)C NMR studies of glucose disposal in normal and non-insulin-dependent diabetic humans

    International Nuclear Information System (INIS)

    Shulman, G.I.; Rothman, D.L.; Shulman, R.G.

    1990-01-01

    To examine the extent to which the defect in insulin action in subjects with non-insulin-dependent diabetes mellitus (NIDDM) can be accounted for by impairment of muscle glycogen synthesis, we performed combined hyperglycemic-hyperinsulinemic clamp studies with [ 13 C]glucose in five subjects with NIDDM and in six age- and weight-matched healthy subjects. The rate of incorporation of intravenously infused [1- 13 C]glucose into muscle glycogen was measured directly in the gastrocnemius muscle by means of a nuclear magnetic resonance (NMR) spectrometer with a 15.5 min time resolution and a 13 C surface coil. The steady-state plasma concentrations of insulin and glucose were similar in both study groups. The mean (±SE) rate of glycogen synthesis, as determined by 13 C NMR, was 78±28 and 183±39 μmol-glucosyl units (kg muscle tissue (wet mass)) -1 min -1 in the diabetic and normal subjects, respectively. The mean glucose uptake was markedly reduced in the diabetic as compared with the normal subjects. The mean rate of non-oxidative glucose metabolism was 22±4 μmol kg -1 min -1 in the diabetic subjects and 42±4 μmol kg -1 min -1 in the normal subjects. When these rates are extrapolated to apply to the whole body, the synthesis of muscle glycogen would account for most of the total-body glucose uptake and all of the non-oxidative glucose metabolism in both normal and diabetic subjects. We conclude that muscle glycogen synthesis is the principal pathway of glucose disposal in both normal and diabetic subjects and that defects in muscle glycogen synthesis have a dominant role in the insulin resistance that occurs in persons with NIDDM. (author)

  18. Nuclear Spin-Spin Coupling in HD, HT, and DT

    Science.gov (United States)

    Puchalski, Mariusz; Komasa, Jacek; Pachucki, Krzysztof

    2018-02-01

    The interaction between nuclear spins in a molecule is exceptionally sensitive to the physics beyond the standard model. However, all present calculations of the nuclear spin-spin coupling constant J are burdened by computational difficulties, which hinders the comparison to experimental results. Here, we present a variational approach and calculate the constant J in the hydrogen molecule with the controlled numerical precision, using the adiabatic approximation. The apparent discrepancy with experimental result is removed by an analysis of nonadiabatic effects based on the experimental values of the J constant for HD, HT, and DT molecules. This study significantly improves the reliability of the NMR theory for searching new physics in the spin-spin coupling.

  19. Controlling a nuclear spin in a nanodiamond

    Science.gov (United States)

    Knowles, Helena S.; Kara, Dhiren M.; Atatüre, Mete

    2017-09-01

    The sensing capability of a single optically bright electronic spin in diamond can be enhanced by making use of proximal dark nuclei as ancillary spins. Such systems, so far realized only in bulk diamond, can provide orders of magnitude higher sensitivity and spectral resolution in the case of magnetic sensing, as well as improved readout fidelity and state storage time in quantum information schemes. Nanodiamonds offer opportunities for scanning and embedded nanoscale probes, yet electronic-nuclear spin complexes have so far remained inaccessible. Here, we demonstrate coherent control of a 13C nuclear spin located 4 Å from a nitrogen-vacancy center in a nanodiamond and show coherent exchange between the two components of this hybrid spin system. We extract a free precession time T2* of 26 μ s for the nuclear spin, which exceeds the bare-electron free-precession time in nanodiamond by two orders of magnitude.

  20. Applications of pulsed nuclear magnetic resonance to chemistry: multiple-pulse NMR, cross polarization, magic-angle spinning annd instrumental design

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, P.D.

    1979-07-01

    Pulsed Nuclear Magnetic Resonance (NMR) has been applied to: (1) Measurements of the prinicpal components of the proton shielding tensors of the hydrides of zirconium chloride and zirconium bromide. Multiple-Pulse techniques have been used to remove static homonuclear dipolar coupling. The anisotropies and isotropic shifts of these tensors have been used to infer the possible locations of the hydrogen within the sandwich-like layers of these unusual compounds. (2) Studies of the oscillatory transfer of magnetic polarization between /sup 1/H and /sup 29/Si in substituted silanes. The technique of J Cross Polarization has been used to enhance sensitivity. The /sup 29/Si NMR shifts of -Si-O- model compounds have been investigated as a possible probe for future studies of the environment of bound oxygen in coal-derived liquids. (3) Measurements of the aromatic fraction of /sup 13/C in whole coals. The techniques of /sup 1/H-/sup 13/C Cross Polarization and Magic-Angle Spinning have been used to enhance sensitivity and remove shift anisotropy. Additional topics described are: (4) Calculation and properties of the broadened lineshape of the shileding Powder Pattern. (5) Calculation of the oscillatory transfer of magnetic polarization for an I-S system. (6) Numerical convolution and its uses. (7) The technique of digital filtering applied in the frequency domain. (8) The designs and properties of four NMR probe-circuits. (9) The design of a single-coil double-resonance probe for combined Magic-Angle Spinning and Cross Polarization. (10) The designs of low Q and high Q rf power amplifiers with emphasis on the rf matching circuitry.

  1. Characteristics and degradation of carbon and phosphorus from aquatic macrophytes in lakes: Insights from solid-state {sup 13}C NMR and solution {sup 31}P NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shasha [College of Water Sciences, Beijing Normal University, Beijing 100875 (China); State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Zhu, Yuanrong, E-mail: zhuyuanrong07@mails.ucas.ac.cn [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Meng, Wei, E-mail: mengwei@craes.org.cn [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); He, Zhongqi [USDA-ARS Southern Regional Research Center, 1100 Robert E Lee Blvd, New Orleans, LA 70124 (United States); Feng, Weiying [College of Water Sciences, Beijing Normal University, Beijing 100875 (China); State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Zhang, Chen [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Giesy, John P. [State Key Laboratory of Environment Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Department of Biomedical and Veterinary Biosciences and Toxicology Centre, University of Saskatchewan, Saskatoon, Saskatchewan (Canada)

    2016-02-01

    Water extractable organic matter (WEOM) derived from macrophytes plays an important role in biogeochemical cycling of nutrients, including carbon (C), nitrogen (N) and phosphorus (P) in lakes. However, reports of their composition and degradation in natural waters are scarce. Therefore, compositions and degradation of WEOM derived from six aquatic macrophytes species of Tai Lake, China, were investigated by use of solid-state {sup 13}C NMR and solution {sup 31}P NMR spectroscopy. Carbohydrates were the predominant constituents of WEOM fractions, followed by carboxylic acid. Orthophosphate (ortho-P) was the dominant form of P (78.7% of total dissolved P) in the water extracts, followed by monoester P (mono-P) (20.6%) and little diester P (0.65%). The proportion of mono-P in total P species increased with the percentage of O-alkyl and O–C–O increasing in the WEOM, which is likely due to degradation and dissolution of biological membranes and RNA from aquatic plants. Whereas the proportion of mono-P decreased with alkyl-C, NCH/OCH{sub 3} and COO/N–C=O increasing, which may be owing to the insoluble compounds including C functional groups of alkyl-C, NCH/OCH{sub 3} and COO/N–C=O, such as aliphatic biopolymers, lignin and peptides. Based on the results of this study and information in the literature about water column and sediment, we propose that WEOM, dominated by polysaccharides, are the most labile and bioavailable component in debris of macrophytes. Additionally, these WEOMs would also be a potential source for bioavailable organic P (e.g., RNA, DNA and phytate) for lakes. - Highlights: • WEOM derived from aquatic macrophytes was characterized. • C and P in WEOM were characterized by solid {sup 13}C NMR and solution {sup 31}P NMR. • Degradation and transformation of macrophyte-derived C and P were investigated. • Macrophyte-derived WEOM are important source for bioavailable nutrients in lakes.

  2. Partitioning of carbon sources among functional pools to investigate short-term priming effects of biochar in soil: A {sup 13}C study

    Energy Technology Data Exchange (ETDEWEB)

    Kerré, Bart [Department of Earth and Environmental Science, KU Leuven, Kasteelpark Arenberg 20, B-3001 Heverlee (Belgium); Hernandez-Soriano, Maria C., E-mail: m.hernandezsoriano@uq.edu.au [Department of Earth and Environmental Science, KU Leuven, Kasteelpark Arenberg 20, B-3001 Heverlee (Belgium); The University of Queensland, School of Agriculture and Food Sciences, St. Lucia, Queensland 4072 (Australia); Smolders, Erik [Department of Earth and Environmental Science, KU Leuven, Kasteelpark Arenberg 20, B-3001 Heverlee (Belgium)

    2016-03-15

    Biochar sequesters carbon (C) in soils because of its prolonged residence time, ranging from several years to millennia. In addition, biochar can promote indirect C-sequestration by increasing crop yield while, potentially, reducing C-mineralization. This laboratory study was set up to evaluate effects of biochar on C-mineralization with due attention to source appointment by using {sup 13}C isotope signatures. An arable soil (S) (7.9 g organic C, OC kg{sup −1}) was amended (single dose of 10 g kg{sup −1} soil) with dried, grinded maize stover (leaves and stalks), either natural (R) or {sup 13}C enriched (R*), and/or biochar (B/B*) prepared from the maize stover residues (450 °C). Accordingly, seven different combinations were set up (S, SR, SB, SR*, SB*, SRB*, SR*B) to trace the source of C in CO{sub 2} (180 days), dissolved organic-C (115 days) and OC in soil aggregate fractions (90 days). The application of biochar to soil reduced the mineralization of native soil organic C but the effect on maize stover-C mineralization was not consistent. Biochar application decreased the mineralization of the non-enriched maize stover after 90 days, this being consistent with a significant reduction of dissolved organic C concentration from 45 to 18 mg L{sup −1}. However, no significant effect was observed for the enriched maize stover, presumably due to differences between the natural and enriched materials. The combined addition of biochar and enriched maize stover significantly increased (twofold) the presence of native soil organic C or maize derived C in the free microaggregate fraction relative to soil added only with stover. Although consistent effects among C sources and biochar materials remains elusive, our outcomes indicate that some biochar products can reduce mineralization and solubilization of other sources of C while promoting their physical protection in soil particles. - Highlights: • Biochar can reduce native soil organic carbon mineralization.

  3. Emission characterization and δ{sup 13}C values of parent PAHs and nitro-PAHs in size-segregated particulate matters from coal-fired power plants

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruwei [CAS Key Laboratory of Crust-Mantle Materials and the Environments, School of Earth and Space Sciences, University of Science and Technology of China, Hefei 230026 (China); State Key Laboratory of Loess and Quaternary Geology, Institute of Earth Environment, The Chinese Academy of Sciences, Xi’an 710075 Shaanxi (China); Yousaf, Balal; Sun, Ruoyu [CAS Key Laboratory of Crust-Mantle Materials and the Environments, School of Earth and Space Sciences, University of Science and Technology of China, Hefei 230026 (China); Zhang, Hong [Anhui Department of Environmental Protection, Anhui Academy of Environmental Science, Hefei 230071 (China); Zhang, Jiamei [CAS Key Laboratory of Crust-Mantle Materials and the Environments, School of Earth and Space Sciences, University of Science and Technology of China, Hefei 230026 (China); Liu, Guijian, E-mail: lgj@ustc.edu.cn [CAS Key Laboratory of Crust-Mantle Materials and the Environments, School of Earth and Space Sciences, University of Science and Technology of China, Hefei 230026 (China); State Key Laboratory of Loess and Quaternary Geology, Institute of Earth Environment, The Chinese Academy of Sciences, Xi’an 710075 Shaanxi (China)

    2016-11-15

    Highlights: • pPAHs and NPAHs were strongly associated with PM{sub 1–2.5} and PM{sub 1} compared with PM{sub 2.5–10}. • Combustion conditions and WFGD showed typical effects on PAH level and profile. • Diagnostic ratio of PAH was to indicative of emission sources to a certain degree. • δ{sup 13}C values of PAHs were useful for differentiating coal combustion source. • δ{sup 13}C values of PAHs were unable to differentiate coal-processing sources. - Abstract: The objective of this study was to characterize parent polycyclic aromatic hydrocarbons (pPAHs) and their nitrated derivatives (NPAHs) in coarse (PM{sub 2.5–10}), intermediate (PM{sub 1–2.5}) and fine (PM{sub 1}) particulate matters emitted from coal-fired power plants (CFPPs) in Huainan, China. The diagnostic ratios and the stable carbon isotopic approaches to characterize individual PAHs were applied in order to develop robust tools for tracing the origins of PAHs in different size-segregated particular matters (PMs) emitted CFPP coal combustion. The concentrations of PAH compounds in flue gas emissions varied greatly, depending on boiler types, operation and air pollution control device (APCD) conditions. Both pPAHs and NPAHs were strongly enriched in PM{sub 1–2.5} and PM{sub 1}. In contrary to low molecular weight (LMW) PAHs, high molecular weight (HMW) PAHs were more enriched in finer PMs. The PAH diagnostic ratios in size-segregated PMs are small at most cases, highlighting their potential application in tracing CFPP emitted PAHs attached to different sizes of PMs. Yet, substantial uncertainty still exists to directly apply PAH diagnostic ratios as emission tracers. Although the stable carbon isotopic composition of PAH molecular was useful in differentiating coal combustion emissions from other sources such as biomass combustion and vehicular exhausts, it was not feasible to differentiate isotopic fractionation processes such as low-temperature carbonization, high

  4. Understanding the role of soil erosion on co{sub 2}-c loss using {sup 13}c isotopic signatures in abandoned Mediterranean agricultural land

    Energy Technology Data Exchange (ETDEWEB)

    Novara, Agata, E-mail: agata.novara@unipa.it [Department of Scienze Agrarie e Forestali, University of Palermo, viale delle Scienze, ed.4, 90128 Palermo (Italy); Keesstra, Saskia, E-mail: saskia.keesstra@wur.nl [Soil Physics and Land Management Group, Wageningen University, Droevendaalsesteeg 4, 6708PB Wageningen (Netherlands); Cerdà, Artemio, E-mail: artemio.cerda@uv.es [Soil Erosion and Degradation Research Group, Department of Geography, University of Valencia, Valencia (Spain); Pereira, Paulo, E-mail: paulo@mruni.eu [Environmental Management Centre, Mykolas Romeris University, Vilnius (Lithuania); Gristina, Luciano [Department of Scienze Agrarie e Forestali, University of Palermo, viale delle Scienze, ed.4, 90128 Palermo (Italy)

    2016-04-15

    Understanding soil water erosion processes is essential to evaluate the redistribution of soil organic carbon (SOC) within a landscape and is fundamental to assess the role of soil erosion in the global carbon (C) budget. The main aim of this study was to estimate the C redistribution and losses using {sup 13}C natural abundance. Carbon losses in soil sediment, dissolved organic carbon (DOC) and CO{sub 2} emission were determined. Four bounded parallel plots were installed on a 10% slope. In the upper part of the plots, C{sub 3}soil was replaced with C{sub 4}soil. The SOC and δ{sup 13}C were measured after 145.2 mm rainfall in the upper (2 m far from C{sub 4}strip), middle (4 m far from C{sub 4}strip) lower (6 m far from C{sub 4}strip) trams of the plot and in the sediments collected in the Gerlach collector at the lower part of the plot. A laboratory incubation experiment was performed to evaluate the CO{sub 2} emission rate of soils in each area. OC was mainly lost in the sediments as 2.08 g{sup −2} of C was lost after 145.2 mm rainfall. DOC losses were only 5.61% of off-site OC loss. Three months after the beginning of the experiment, 15.90% of SOC in the upper tram of the plot had a C{sub 4} origin. The C{sub 4}-SOC content decreased along the 6 m length of the plot, and in the sediments collected by the Gerlach collector. CO{sub 2} emission rate was high in the upper plot tram due to the high SOC content. The discrimination of CO{sub 2} in C{sub 3} and C{sub 4} portion permitted to increase our level of understanding on the stability of SOC and its resilience to decomposition. The transport of sediments along the plot increased SOC mineralization by 43%. Our study underlined the impact of rainfall in C losses in soil and water in abandoned Mediterranean agriculture fields and the consequent implications on the C balance. - Highlights: • The soil C isotopic difference is a useful tracer for erosion processes studies. • The main loss of Carbon was

  5. High precision measurement by mass spectrometry of isotopic ratios {delta} {sup 13}C and {delta}{sup 18}O of carbon dioxide; Mesure haute precision par spectrometrie de masse des rapports isotopiques {delta} {sup 13}C et {delta}{sup 18}O du dioxyde de carbone

    Energy Technology Data Exchange (ETDEWEB)

    Bourg, Chr.; Ciais, Ph.

    1998-02-01

    Carbon dioxide (CO{sub 2}) is the second natural greenhouse gas in the Earth's atmosphere, after vapor water. Its concentration levels have been increasing by 25% due to human activities over the past 200 years, thus increasing the radiative forcing at the surface and potentially including major climate change for the next centuries. It is of primary importance to better quantify the role of carbon contained into the oceans and the land biota in moderating the anthropic perturbation. To do so, {sup 13}C and {sup 18}O isotopes are unique tools which allow to estimate indirectly the terrestrial CO{sub 2} fluxes based on atmospheric measurements. The present reports describes the experimental set-up used at the CFR-LMCE laboratory to measure the {sup 13}C and {sup 18}O natural abundance in atmospheric carbon dioxide. This technique requires high levels of both precision and accuracy because the geochemical signal nevertheless consists of very small changes in isotopic composition (on the order of 0.01 permits). Also, given the large number of samples to analyses routinely, it must be run in an automatic mode. Our experiment design consists of 'extraction line' where CO{sub 2} is separated cryogenically from the air, which is coupled to a (Finnigan MAT 252) mass spectrometer. (authors)

  6. Incorporation of {sup 13}C-labeled intermediates into developing lignin revealed by analytical pyrolysis and CuO oxidation in combination with IRM-GC-MS

    Energy Technology Data Exchange (ETDEWEB)

    Eglinton, T.I.; Goni, M.A. [Woods Hole Oceanographic Institution, MA (United States); Boon, J.J. [FOM Institute, Amsterdam (Netherlands)] [and others

    1995-12-31

    Tissue samples from Ginkgo shoots (Ginkgo biloba L.) and Rice grass (Oryzasitiva sp.) incubated in the presence of {sup 13}C-labeled substrates such as coniferin (postulated to be biosynthetic intermediates in lignin biosynthesis) were studied using thermal and chemical dissociation methods in combination with molecular-level isotopic measurements. The aim of the study was (1) to investigate dissociation mechanisms, and (2) to examine and quantify the proportions of labeled material incorporated within each sample. Isotopic analysis of specific dissociation products revealed the presence of the label in its original positions, and only within lignin-derived (phenolic) products. Moreover, the distribution and isotopic composition of the dissociation products strongly suggest an origin from newly-formed lignin. These results clearly indicate that there is no {open_quotes}scrambling{close_quotes} of carbon atoms as a result of the dissociation process, thereby lending support to this analytical approach. In addition, the data provide confidence in the selective labeling approach for elucidation of the structure and biosynthesis of lignin.

  7. Early estrogen-induced metabolic changes and their inhibition by actinomycin D and cycloheximide in human breast cancer cells: sup 31 P and sup 13 C NMR studies

    Energy Technology Data Exchange (ETDEWEB)

    Neeman, M.; Degani, H. (Weizmann Institute of Science, Rehovot (Israel))

    1989-07-01

    Metabolic changes following estrogen stimulation and the inhibition of these changes in the presence of actinomycin D and cycloheximide were monitored continuously in perfused human breast cancer T47D clone 11 cells with {sup 31}P and {sup 13}C NMR techniques. The experiments were performed by estrogen rescue of tamoxifen-treated cells. Immediately after perfusion with estrogen-containing medium, a continuous enhancement in the rates of glucose consumption, lactate production by glycolysis, and glutamate synthesis by the Krebs cycle occurred with a persistent 2-fold increase at 4 hr. Pretreatment with either actinomycin D or cycloheximide, at concentrations known to inhibit mRNA and protein synthesis, respectively, and simultaneous treatment with estrogen and each inhibitor prevented the estrogen-induced changes in glucose metabolism. This suggested that the observed estrogen stimulation required synthesis of mRNA and protein. These inhibitors also modulated several metabolic activities that were not related to estrogen stimulation. The observed changes in the in vivo kinetics of glucose metabolism may provide a means for the early detection of the response of human breast cancer cells to estrogen versus tamoxifen treatment.

  8. Elucidation of the electronic spectrum changes of KA-Al{sup 3+} complex by potentiometric titration, FTIR, {sup 13}C NMR and quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Piantavini, Mário S.; Gonçalves, Alan G.; Trindade, Ângela C.L.B.; Noseda, Miguel D.; Mercê, Ana L.R.; Pontarolo, Roberto, E-mail: pontarolo@ufpr.br [Universidade Federal do Paraná (UFPR), Curitiba (Brazil); Machado, Antonio E.H. [Universidade Federal de Uberlândia (UFU), MG (Brazil)

    2017-08-15

    Kojic acid (KA) is an organic acid widely used in pharmaceutical industry, mainly as a skin lightening agent. Based on the ability of KA to form complexes with ions, we found the most possible kind of complex formed with cation aluminum. KA-Al{sup 3+} complex structures were studied using potentiometric and spectrophotometric (UV) titrations, FTIR and {sup 13}C NMR. The electronic spectroscopy showed that the KA-Al{sup 3+} complexes absorb at higher wavelengths (λ{sub max}= 305 nm) than do the non-complexed KA (λ{sub max}= 269 nm), confirming complexation. The IR spectra of KA complexed and not complexed allowed to correlate the changes in the absorption of enol and carbonyl groups in absence and presence of Al{sup 3+} in aqueous solutions. The complexation suggested by the potentiometric titration and FTIR spectroscopy are in accordance with the data obtained from NMR results. Calculations based on quantum mechanics were utilized to understand the differences found in the non complexed and complexed KAH electronic spectra. (author)

  9. Magic angle spinning nuclear magnetic resonance apparatus and process for high-resolution in situ investigations

    Science.gov (United States)

    Hu, Jian Zhi; Sears, Jr., Jesse A.; Hoyt, David W.; Mehta, Hardeep S.; Peden, Charles H. F.

    2015-11-24

    A continuous-flow (CF) magic angle sample spinning (CF-MAS) NMR rotor and probe are described for investigating reaction dynamics, stable intermediates/transition states, and mechanisms of catalytic reactions in situ. The rotor includes a sample chamber of a flow-through design with a large sample volume that delivers a flow of reactants through a catalyst bed contained within the sample cell allowing in-situ investigations of reactants and products. Flow through the sample chamber improves diffusion of reactants and products through the catalyst. The large volume of the sample chamber enhances sensitivity permitting in situ .sup.13C CF-MAS studies at natural abundance.

  10. Carbonation of C–S–H and C–A–S–H samples studied by {sup 13}C, {sup 27}Al and {sup 29}Si MAS NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sevelsted, Tine F.; Skibsted, Jørgen, E-mail: jskib@chem.au.dk

    2015-05-15

    Synthesized calcium silicate hydrate (C–S–H) samples with Ca/Si ratios of 0.66, 1.0, and 1.5 have been exposed to atmospheric CO{sub 2} at room temperature and high relative humidity and studied after one to 12 weeks. {sup 29}Si NMR reveals that the decomposition of C–S–H caused by carbonation involves two steps and that the decomposition rate decreases with increasing Ca/Si ratio. The first step is a gradual decalcification of the C–S–H where calcium is removed from the interlayer and defect sites in the silicate chains until Ca/Si = 0.67 is reached, ideally corresponding to infinite silicate chains. In the seconds step, calcium from the principal layers is consumed, resulting in the final decomposition of the C–S–H and the formation of an amorphous silica phase composed of Q{sup 3} and Q{sup 4} silicate tetrahedra. The amount of solid carbonates and of carbonate ions in a hydrous environment increases with increasing Ca/Si ratio for the C–S–H, as shown by {sup 13}C NMR. For C–A–S–H samples with Ca/Si = 1.0 and 1.5, {sup 27}Al NMR demonstrates that all aluminium sites associated with the C–S–H are consumed during the carbonation reactions and incorporated mainly as tetrahedral Al(–OSi){sub 4} units in the amorphous silica phase. A small amount of penta-coordinated Al sites has also been identified in the silica phase.

  11. Pentacyclic triterpenoids of Mentha villosa: structural identification and {sup 1}H and {sup 13}C resonance assignments; Triterpenoides pentaciclicos de Mentha villosa: identificacao estrutural e atribuicao dos deslocamentos quimicos dos atomos de hidrogenio e carbono

    Energy Technology Data Exchange (ETDEWEB)

    Monte, Francisco J. Queiroz; Oliveira, Eliete F. de [Ceara Univ., Fortaleza, CE (Brazil). Dept. de Quimica Organica e Inorganica; Braz Filho, Raimundo [Universidade Estadual do Norte Fluminense, Campos dos Goytacazes, RJ (Brazil). Setor de Quimica de Produtos Naturais

    2001-08-01

    The structures of seven oleanene and ursene triterpenoids (1-7) isolated from aerial parts of Mentha villosa were identified. In addition, the complete {sup 1} H and {sup 13} C resonance assignments of these triterpenoids were accomplished using 1D and 2D NMR spectroscopic experiments. (author)

  12. Possibilities of climate reconstruction in the Holocene using {delta}{sup 13}C and {delta}{sup 2}H values from annual tree rings on the basis of climate chamber experiments and studies on present-day organisms; Moeglichkeiten der Klimarekonstruktion im Holozaen mit {delta}{sup 13}C- und {delta}{sup 2}H-Werten von Baum-Jahrringen auf der Basis von Klimakammerversuchen und Rezentstudien

    Energy Technology Data Exchange (ETDEWEB)

    Mayr, C.

    2002-07-01

    This study deals with the climatic information content of {sup 2}H and {sup 13}C levels in annual tree rings and plant material. The influence of variations in air temperature, relative humidity and water availability on stable isotope ratios in three different C{sub 3} plant species (Brassica oleracea, Eucalyptus globulus, Vicia faba) was studied in climate chamber experiments. Furthermore, calibration studies using {delta}{sup 13}C and {delta}{sup 2}H time series from Southern German spruce (Picea abies) from two stands (Schussbach, Klosterreichenbach) were performed. Correlations with meteorological data from a nearby meteorological station prove stable isotope ratios to be dependent on weather conditions in the summer months (June through August). Using the {delta}{sup 13}C ''response surfaces'' obtained from these experiments as well as correlations from long gridbox precipitation series it was shown that for the climate mode under study the {delta}{sup 13}C values largely reflect water availability to trees, which is greatly influenced by summer precipitation, especially at the more arid of the two sites. The results of the climate chamber experiments also suggest that the spruce {delta}{sup 2}H values largely reflect the isotope variation in soil water and hence the {delta}{sup 2}H fluctuations in summer precipitation. The study closes with a discussion of methodological approaches to creating long isotope series from annual tree rings of subfossil oak trees.

  13. Sedimentary records of δ{sup 13}C, δ{sup 15}N and organic matter accumulation in lakes receiving nutrient-rich mine waters

    Energy Technology Data Exchange (ETDEWEB)

    Widerlund, Anders, E-mail: Anders.Widerlund@ltu.se; Chlot, Sara; Öhlander, Björn

    2014-07-01

    Organic C and total N concentrations, C/N ratios, δ{sup 15}N and δ{sup 13}C values in {sup 210}Pb-dated sediment cores were used to reconstruct historical changes in organic matter (OM) accumulation in three Swedish lakes receiving nutrient-rich mine waters. Ammonium-nitrate-based explosives and sodium cyanide (NaCN) used in gold extraction were the major N sources, while lesser amounts of P originated from apatite and flotation chemicals. The software IsoSource was used to model the relative contribution of soil, terrestrial and littoral vegetation, and phytoplankton detritus in the lake sediments. In one lake the IsoSource modelling failed, suggesting the presence of additional, unknown OM sources. In two of the lakes sedimentary detritus of littoral vegetation and phytoplankton had increased by 15–20% and 20–35%, respectively, since ∼ 1950, when N- and P-rich mine waters began to reach the lakes. Today, phytoplankton is the dominating OM component in these lake sediments, which appears to be a eutrophication effect related to mining operations. Changes in the N isotopic composition of biota, lake water, and sediments related to the use of ammonium-nitrate-based explosives and NaCN were evident in the two studied systems. However, N isotope signals in the receiving waters (δ{sup 15}N ∼ + 9‰ to + 19‰) were clearly shifted from the primary signal in explosives (δ{sup 15}N–NO{sub 3} = + 3.4 ± 0.3‰; δ{sup 15}N–NH{sub 4} = − 8.0 ± 0.3‰) and NaCN (δ{sup 15}N = + 1.1 ± 0.5‰), and direct tracing of the primary N isotope signals in mining chemicals was not possible in the receiving waters. Systems where mine waters with a well known discharge history are a major point source of N with well-defined isotopic composition should, however, be suitable for further studies of processes controlling N isotope signatures and their transformation in aquatic systems receiving mine waters. - Highlights: • Historical mining-related changes in organic

  14. India's nuclear spin-off

    International Nuclear Information System (INIS)

    Kaul, Ravi.

    1974-01-01

    After examining world-wide reactions of the foreign governments and news media to the India's peaceful nuclear experiment (PNE) in the Rajasthan Desert on 18 May 1974, development of nuclear technology in India is assessed and its economic advantages are described. Implications of the Non-Proliferation Treaty are explained. Psychological impact of India's PNE on India's neighbours and superpowers and associated political problems in context of proliferation of nuclear weapons are discussed in detail. (M.G.B.)

  15. Simulating dynamics of (delta){sup 13}C of CO{sub 2} in the planetary boundary layer a boreal forest region: covariation between surface fluxes and atmospheric mixing

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Baozhang; Chen, Jing M. [Univ. of Toronto, ON (Canada). Dept. of Geography; Tans, Pieter P. [National Oceanic and Atmospheric Administration, Boulder, CO (United States). Earth System Research Lab.; Huang, Lin [Environment Canada, Toronto, ON (Canada). Atmospheric Science and Technology Directorate

    2006-11-15

    Stable isotopes of CO{sub 2} contain unique information on the biological and physical processes that exchange CO{sub 2} between terrestrial ecosystems and the atmosphere. Ecosystem exchange of carbon isotopes with the atmosphere is correlated diurnally and seasonally with the planetary boundary layer (PBL) dynamics. The strength of this kind of covariation affects the vertical gradient of (delta){sup 13}C and thus the global (delta){sup 13}C distribution pattern. We need to understand the various processes involved in transport/diffusion of carbon isotope ratio in the PBL and between the PBL and the biosphere and the troposphere. In this study, we employ a one-dimensional vertical diffusion/transport atmospheric model (VDS), coupled to an ecosystem isotope model (BEPS-EASS) to simulate dynamics of {sup 13}CO{sub 2} in the PBL over a boreal forest region in the vicinity of the Fraserdale (FRD) tower (49 deg 52 min 29.9 sec N, 81 deg 34 min 12.3 sec W) in northern Ontario, Canada. The data from intensive campaigns during the growing season in 1999 at this site are used for model validation in the surface layer. The model performance, overall, is satisfactory in simulating the measured data over the whole course of the growing season. We examine the interaction of the biosphere and the atmosphere through the PBL with respect to (delta){sup 13}C on diurnal and seasonal scales. The simulated annual mean vertical gradient of (delta){sup 13}C in the PBL in the vicinity of the FRD tower was about 0.025% in 1999. The (delta){sup 13}C vertical gradient exhibited strong diurnal (29%) and seasonal (71%) variations that do not exactly mimic those of CO{sub 2}. Most of the vertical gradient (96.5% {+-}) resulted from covariation between ecosystem exchange of carbon isotopes and the PBL dynamics, while the rest (3.5%{+-}) was contributed by isotopic disequilibrium between respiration and photosynthesis. This disequilibrium effect on (delta){sup 13}C of CO{sub 2} dynamics in PBL

  16. Simulating dynamics of {delta}{sup 13}C of CO{sub 2} in the planetary boundary layer a boreal forest region: covariation between surface fluxes and atmospheric mixing

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Baozhang; Chen, Jing M. [Univ. of Toronto, ON (Canada). Dept. of Geography; Tans, Pieter P. [National Oceanic and Atmospheric Administration, Boulder, CO (United States). Earth System Research Lab.; Huang, Lin [Environment Canada, Toronto, ON (Canada). Atmospheric Science and Technology Directorate

    2006-11-15

    Stable isotopes of CO{sub 2} contain unique information on the biological and physical processes that exchange CO{sub 2} between terrestrial ecosystems and the atmosphere. Ecosystem exchange of carbon isotopes with the atmosphere is correlated diurnally and seasonally with the planetary boundary layer (PBL) dynamics. The strength of this kind of covariation affects the vertical gradient of {delta}{sup 13}C and thus the global {delta}{sup 13}C distribution pattern. We need to understand the various processes involved in transport/diffusion of carbon isotope ratio in the PBL and between the PBL and the biosphere and the troposphere. In this study, we employ a one-dimensional vertical diffusion/transport atmospheric model (VDS), coupled to an ecosystem isotope model (BEPS-EASS) to simulate dynamics of {sup 13}CO{sub 2} in the PBL over a boreal forest region in the vicinity of the Fraserdale (FRD) tower (49 deg 52 min 29.9 sec N, 81 deg 34 min 12.3 sec W) in northern Ontario, Canada. The data from intensive campaigns during the growing season in 1999 at this site are used for model validation in the surface layer. The model performance, overall, is satisfactory in simulating the measured data over the whole course of the growing season. We examine the interaction of the biosphere and the atmosphere through the PBL with respect to {delta}{sup 13}C on diurnal and seasonal scales. The simulated annual mean vertical gradient of {delta}{sup 13}C in the PBL in the vicinity of the FRD tower was about 0.025% in 1999. The {delta}{sup 13}C vertical gradient exhibited strong diurnal (29%) and seasonal (71%) variations that do not exactly mimic those of CO{sub 2}. Most of the vertical gradient (96.5% {+-}) resulted from covariation between ecosystem exchange of carbon isotopes and the PBL dynamics, while the rest (3.5%{+-}) was contributed by isotopic disequilibrium between respiration and photosynthesis. This disequilibrium effect on {delta}{sup 13}C of CO{sub 2} dynamics in PBL

  17. Optically enhanced nuclear cross polarization in acridine-doped fluorene

    Energy Technology Data Exchange (ETDEWEB)

    Oshiro, C.M.

    1982-06-01

    The objective of this work has been to create large polarizations of the dilute /sup 13/C nuclei in the solid state. The idea was to create /sup 1/H polarizations larger than Boltzmann and to use the proton enhanced nuclear induction spectroscopy cross polarization technique to then transfer this large polarization to the /sup 13/C spin system. Optical Nuclear Polarization (ONP) of acridine-doped fluorene single crystals was studied. In addition, ONP of powdered samples of the acridine-doped fluorene was studied. In general, many compounds do not crystallize easily or do not form large crystals suitable for NMR experiments. Powdered, amorphous and randomly dispersed samples are generally far more readily available than single crystals. One objective of this work has been to (first) create large /sup 1/H polarizations. Although large optical proton polarizations in single crystals have been reported previously, optically generated polarizations in powdered samples have not been reported. For these reasons, ONP studies of powdered samples of the acridine-doped fluorene were also undertaken. Using ONP in combination with the proton enhanced nuclear induction spectroscopy experiment, large /sup 13/C polarizations have been created in fluorene single crystals. These large /sup 13/C polarizations have permitted the determination of the seven incongruent chemical shielding tensors of the fluorene molecule. Part 2 of this thesis describes the proton enhanced nuclear induction spectroscopy experiment. Part 3 describes the ONP experiment. Part 4 is a description of the experimental set-up. Part 5 describes the data analysis for the determination of the chemical shielding tensors. Part 6 presents the results of the ONP experiments performed in this work and the chemical shielding tensors determined.

  18. Detection and Control of Individual Nuclear Spins Using a Weakly Coupled Electron Spin

    NARCIS (Netherlands)

    Taminiau, T.H.; Wagenaar, J.J.T.; Van der Sar, T.; Jelezko, F.; Dobrovitski, V.V.; Hanson, R.

    2012-01-01

    We experimentally isolate, characterize, and coherently control up to six individual nuclear spins that are weakly coupled to an electron spin in diamond. Our method employs multipulse sequences on the electron spin that resonantly amplify the interaction with a selected nuclear spin and at the same

  19. Experimental energy-dependent nuclear spin distributions

    International Nuclear Information System (INIS)

    Egidy, T. von; Bucurescu, D.

    2009-01-01

    A new method is proposed to determine the energy-dependent spin distribution in experimental nuclear-level schemes. This method compares various experimental and calculated moments in the energy-spin plane to obtain the spin-cutoff parameter σ as a function of mass A and excitation energy using a total of 7202 levels with spin assignment in 227 nuclei between F and Cf. A simple formula, σ 2 =0.391 A 0.675 (E-0.5Pa ' ) 0.312 , is proposed up to about 10 MeV that is in very good agreement with experimental σ values and is applied to improve the systematics of level-density parameters.

  20. Nuclear structure of Ra at high spin

    Indian Academy of Sciences (India)

    However, nuclear structure at high spin and excitation energies (∼ 6 MeV) would require a coupling of excited 1p–1h with 208Pb core. The coupling between single- particle orbitals and collective vibrations of core complicates the simple shell model picture. With increasing neutron number, Ra isotopes show an abrupt ...

  1. Nuclear magnetic resonance studies of the regulation of the pentose phosphate pathway

    Energy Technology Data Exchange (ETDEWEB)

    Bolo, N.R.

    1991-11-01

    The goal of this work is to investigate the potential for and limitations of in vivo nuclear magnetic resonance (NMR) spectroscopy for quantitation of glucose flux through the pentose phosphate pathway (shunt). Interest in the shunt is motivated by the possibility that its activity may be greatly increased in cancer and in the pathological states of cardiac and cerebral ischemia. The ability to dynamically monitor flux through the pentose shunt can give new knowledge about metabolism in pathological states. {sup 13}C NMR spectroscopy was used to monitor shunt activity by determination of the ratios of ({sup 13}C-4) to ({sup 13}C-5)-glutamate, ({sup 13}C-3) to ({sup 13}C-2)-alanine or ({sup 13}C-3) to ({sup 13}C-2)-lactate produced when ({sup 13}C-2)-glucose is infused. These methods provide measures of the effect of oxidative stresses on shunt activity in systems ranging from cell free enzyme-substrate preparations to cell suspensions and whole animals. In anaerobic cell free preparations, the fraction of glucose flux through the shunt was monitored with a time resolution of 3 minutes. This work predicts the potential for in vivo human studies of pentose phosphate pathway activity based on the mathematical simulation of the {sup 13}C fractional enrichments of C4 and C5-glutamate as a function of shunt activity and on the signal-to- noise ratio acquired in {sup 13}C NMR human studies from the current literature.

  2. Ozone air pollution effects on tree-ring growth,{delta}{sup 13}C, visible foliar injury and leaf gas exchange in three ozone-sensitive woody plant species

    Energy Technology Data Exchange (ETDEWEB)

    Novak, K. [Swiss Federal Inst. for Forest, Snow and Landscape Research, Birmensdorf (Switzerland); Agroscope FAL Reckenholz, Swiss Federal Research Station for Agroecology and Agriculture, Zurich (Switzerland); Saurer, M. [Paul Scherrer Inst. Villigen (Switzerland); Fuhrer, J. [Agroscope FAL Reckenholz, Swiss Federal Research Station for Agroecology and Agriculture, Zurich (Switzerland); Skelly, J.M. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Plant Pathology; Krauchi, N.; Schaub, M. [Swiss Federal Inst. for Forest, Snow and Landscape Research, Birmensdorf (Switzerland)

    2007-07-15

    Species specific plant responses to tropospheric ozone pollution depend on a range of morphological, biochemical and physiological characteristics as well as environmental factors. The effects of ambient tropospheric ozone on annual tree-ring growth, {delta}{sup 13} C in the rings, leaf gas exchange and ozone-induced visible foliar injury in three ozone-sensitive woody plant species in southern Switzerland were assessed during the 2001 and 2002 growing seasons. Seedlings of Populus nigra L., Viburnum lantana L. and Fraxinus excelsior L. were exposed to charcoal-filtered air and non-filtered air in open-top chambers, and to ambient air (AA) in open plots. The objective was to determine if a relationship exists between measurable ozone-induced effects at the leaf level and subsequent changes in annual tree-ring growth and {delta} {sup 13} C signatures. The visible foliar injury, early leaf senescence and premature leaf loss in all species was attributed to the ambient ozone exposures in the region. Ozone had pronounced negative effects on net photosynthesis and stomatal conductance in all species in 2002 and in V. lantana and F. excelsior in 2001. Water-use efficiency decreased and intercellular carbon dioxide concentrations increased in all species in response to ozone in 2002 only. The width and {delta}{sup 13} C of the 2001 and 2002 growth rings were measured for all species at the end of the 2002 growing season. Significant ozone-induced effects at the leaf level did not correspond to reduced tree-ring growth or increased {delta}{sup 13} C in all species, suggesting that the timing of ozone exposure and extent of leaf-level responses may be relevant in determining the sensitivity of tree productivity to ozone exposure. 48 refs., 4 tabs., 2 figs.

  3. {sup 13}C ISOTOPIC FRACTIONATION OF HC{sub 3}N IN STAR-FORMING REGIONS: LOW-MASS STAR-FORMING REGION L1527 AND HIGH-MASS STAR-FORMING REGION G28.28-0.36

    Energy Technology Data Exchange (ETDEWEB)

    Taniguchi, Kotomi; Saito, Masao [Department of Astronomical Science, School of Physical Science, SOKENDAI (The Graduate University for Advanced Studies), Osawa, Mitaka, Tokyo 181-8588 (Japan); Ozeki, Hiroyuki, E-mail: kotomi.taniguchi@nao.ac.jp [Department of Environmental Science, Faculty of Science, Toho University, Miyama, Funabashi, Chiba 274-8510 (Japan)

    2016-10-20

    We observed the J = 9–8 and 10–9 rotational lines of three {sup 13}C isotopologues of HC{sub 3}N in L1527 and G28.28-0.36, with the 45 m radio telescope of the Nobeyama Radio Observatory, in order to constrain the main formation mechanisms of HC{sub 3}N in each source. The abundance ratios of the three {sup 13}C isotopologues of HC{sub 3}N are found to be 0.9 (±0.2) : 1.00 : 1.29 (±0.19) (1 σ ), and 1.0 (±0.2) : 1.00 : 1.47 (±0.17) (1 σ ), for [H{sup 13}CCCN : HC{sup 13}CCN : HCC{sup 13}CN] in L1527 and G28.28-0.36, respectively. We recognize, from a similar {sup 13}C isotopic fractionation pattern, that the abundances of H{sup 13}CCCN and HC{sup 13}CCN are comparable, and HCC{sup 13}CN is more abundant than the others. Based on the results, we discuss the main formation pathway of HC{sub 3}N. The {sup 13}C isotopic fractionation pattern derived from our observations can be explained by the neutral-neutral reaction between C{sub 2}H{sub 2} and CN in both the low-mass (L1527) and high-mass (G28.28-0.36) star-forming regions.

  4. Quantum computing using nuclear spins

    International Nuclear Information System (INIS)

    Cejnar, P.

    2002-01-01

    In December 2001, a group of physicists at Stanford University and at the IBM research center in California announced the first experimental implementation of the Shor quantum factorization algorithm with 7 quantum bits. The nuclear magnetic resonance method applied appears to be a promising approach to the realization of quantum computers. Quantum computing, which is a very interesting field of application of the laws of the quantum world, is demonstrated on examples

  5. Characterization of the sp sup 2 bonds network in a-C:H layers with nuclear magnetic resonance, electron energy loss spectroscopy and electron spin resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kleber, R.; Jung, K.; Ehrhardt, H. (Fachbereich Physik, Univ. Kaiserslautern (Germany)); Muehling, I.; Breuer, K. (Technische Univ. Chemnitz, Sektion Physik/Elektronische Bauelemente (Germany)); Metz, H.; Engelke, F. (Karl-Marx-Univ., Sektion Physik, Leipzig (Germany))

    1991-12-01

    a-C:H layers prepared at different ion energies have been investigated by several methods including {sup 13}C nuclear magnetic resonance (NMR), electron energy loss spectroscopy (EELS) and electron spin resonance (ESR). The sp{sup 2} fraction of the samples rose from 27% to about 60 at.% with increasing ion energies from 30 eV to 170 eV. In the EELS spectra of these layers the intensity of the {pi}{yields}{pi}{sup *} transition between 4 and 7 eV showed no significant variation. But a shift of the peak is observed from 7 eV to lower energy losses with increasing ion energies indicating an enhanced formation of larger sp{sup 2} cluster sizes. This shift is accompanied by a broadening of the energy loss peak, suggesting a broadening of the cluster size distribution. The ESR spectra showed an increase of the spin density by more than one order of magnitude with increasing ion energies. Simultaneously the linewidth of the ESR signal gets narrower. This can also be interpreted as an increasing cluster size from single benzene rings to three and four fused six-fold rings. Hence, the EELS and ESR spectra lead to the same conclusions with respect to the microstructure of the a-C:H network. (orig.).

  6. Photoneutron cross sections measurements in {sup 9}Be, {sup 13}C e {sup 17}O with thermal neutron capture gamma-rays; Medidas das secoes de choque de fotoneutrons do {sup 9}Be, {sup 13}C e {sup 17}O com radiacao gama de captura de neutrons termicos

    Energy Technology Data Exchange (ETDEWEB)

    Semmler, Renato

    2006-07-01

    Photoneutron cross sections measurements of {sup 9}Be, {sup 13}C and {sup 17}O have been obtained in the energy interval between 1,6 and 10,8 MeV, using neutron capture gamma-rays with high resolution in energy (3 a 21 eV), produced by 21 target materials, placed inside a tangential beam port, near the core of the IPEN/CNEN-SP IEA-R1 (5 MW) research reactor. The samples have been irradiated inside a 4{pi} geometry neutron detector system 'Long Counter', 520,5 cm away from the capture target. The capture gamma-ray flux was determined by means of the analysis of the gamma spectrum obtained by using a Ge(Li) solid-state detector (EG and G ORTEC, 25 cm{sup 3}, 5%), previously calibrated with capture gamma-rays from a standard target of Nitrogen (Melamine). The neutron photoproduction cross section has been measured for each target capture gamma-ray spectrum (compound cross section). A inversion matrix methodology to solve inversion problems for unfolding the set of experimental compound cross sections, was used in order to obtain the cross sections at specific excitation energy values (principal gamma line energies of the capture targets). The cross sections obtained at the energy values of the principal gamma lines were compared with experimental data reported by other authors, with have employed different gamma-ray sources. A good agreement was observed among the experimental data in this work with reported in the literature. (author)

  7. Multivariate analysis of calcareous nanno fossils and stable isotopic ({delta}{sup 18}O and {delta}{sup 13}C) in the upper Campanian - lower Maastrichtian of the Campos Basin, Brazil; Analise multivariada em nanofosseis calcarios e isotopos estaveis ({delta}{sup 18}O e {delta}{sup 13}C) do Campaniano superior - Maastrichtiano inferior na Bacia de Campos

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Luiz Carlos Veiga de [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas. Gerencia de Bioestratigrafia e Paleoecologia]. E-mail: lcveiga@petrobras.com.br; Rodrigues, Rene; Lemos, Valesca Brasil

    2005-05-01

    Qualitative analysis in calcareous nanno fossils is a powerful tool for bio stratigraphic uses, principally in identification of bio zones and determination of relative age. But quantitative studies must be applied for pale oceanographic applications and high resolution bio stratigraphy. In order to better understand the relationships between the different species of nanno fossils, new methodologies and non-traditional correlation tools were tested on a 18 m upper Campanian - lower Maastrichtian core from Campos Basin. Multiple regression helped to determine the best counting method. Watznaueria barnesae and Micula decussata dominate the fossil assemblage and have inverse abundances to each other. Both were opportunist species in competition for nutrients. Q mode factorial analysis (57 samples, 19 variables) was applied to the same core and shows that two factors explain 99.2% of the total variance of the micro fossil assemblage. The first factor represents 83.6% and the second factor only 15.6% of the total variance. The former is associated with Watznaueria barnesae, Cribrosphaerella ehrenbergii and Stradneria crenulata, which represent the original population of nano plankton. The latter factor is associated with Micula decussata, which is believed to represent the effect of solution at the sediment water interface. Both factors were used to develop a dissolution-sea level curve for nanno fossils. When combined with oxygen and carbon isotopes, this curve clearly shows that higher dissolution occurred during the late Campanian - early Maastrichtian time when {delta}{sup 18}O, {delta}{sup 13} C and TOC all had lower values. These correlations indicate a strong link between high sea levels, high temperatures and lower amount of continental organic debris. (author)

  8. Evolution of nuclear shapes at high spins

    International Nuclear Information System (INIS)

    Johnson, N.R.

    1985-01-01

    The dynamic electric quadrupole (E2) moments are a direct reflection of the collective aspects of the nuclear wave functions. For this, Doppler-shift lifetime measurements have been done utilizing primarily the recoil-distance technique. The nuclei with neutron number N approx. 90 possess many interesting properties. These nuclei have very shallow minima in their potential energy surfaces, and thus, are very susceptible to deformation driving influences. It is the evolution of nuclear shapes as a function of spin or rotational frequency for these nuclei that has commanded much interest in the lifetime measurements discussed here. There is growing evidence that many deformed nuclei which have prolate shapes in their ground states conform to triaxial or oblate shapes at higher spins. Since the E2 matrix elements along the yrast line are sensitive indicators of deformation changes, measurements of lifetimes of these states to provide the matrix elements has become the major avenue for tracing the evolving shape of a nucleus at high spin. Of the several nuclei we have studied with N approx. 90, those to be discussed here are /sup 160,161/Yb and 158 Er. In addition, the preliminary, but interesting and surprising results from our recent investigation of the N = 98 nucleus, 172 W are briefly discussed. 14 refs., 5 figs

  9. Residue-specific membrane location of peptides and proteins using specifically and extensively deuterated lipids and {sup 13}C-{sup 2}H rotational-echo double-resonance solid-state NMR

    Energy Technology Data Exchange (ETDEWEB)

    Xie Li; Ghosh, Ujjayini; Schmick, Scott D.; Weliky, David P., E-mail: weliky@chemistry.msu.edu [Michigan State University, Department of Chemistry (United States)

    2013-01-15

    Residue-specific location of peptides in the hydrophobic core of membranes was examined using {sup 13}C-{sup 2}H REDOR and samples in which the lipids were selectively deuterated. The transmembrane topology of the KALP peptide was validated with this approach with substantial dephasing observed for deuteration in the bilayer center and reduced or no dephasing for deuteration closer to the headgroups. Insertion of {beta} sheet HIV and helical and {beta} sheet influenza virus fusion peptides into the hydrophobic core of the membrane was validated in samples with extensively deuterated lipids.

  10. Nuclear spin polarized H and D by means of spin-exchange optical pumping

    Science.gov (United States)

    Stenger, Jörn; Grosshauser, Carsten; Kilian, Wolfgang; Nagengast, Wolfgang; Ranzenberger, Bernd; Rith, Klaus; Schmidt, Frank

    1998-01-01

    Optically pumped spin-exchange sources for polarized hydrogen and deuterium atoms have been demonstrated to yield high atomic flow and high electron spin polarization. For maximum nuclear polarization the source has to be operated in spin temperature equilibrium, which has already been demonstrated for hydrogen. In spin temperature equilibrium the nuclear spin polarization PI equals the electron spin polarization PS for hydrogen and is even larger than PS for deuterium. We discuss the general properties of spin temperature equilibrium for a sample of deuterium atoms. One result are the equations PI=4PS/(3+PS2) and Pzz=PSṡPI, where Pzz is the nuclear tensor polarization. Furthermore we demonstrate that the deuterium atoms from our source are in spin temperature equilibrium within the experimental accuracy.

  11. Robust techniques for polarization and detection of nuclear spin ensembles

    Science.gov (United States)

    Scheuer, Jochen; Schwartz, Ilai; Müller, Samuel; Chen, Qiong; Dhand, Ish; Plenio, Martin B.; Naydenov, Boris; Jelezko, Fedor

    2017-11-01

    Highly sensitive nuclear spin detection is crucial in many scientific areas including nuclear magnetic resonance spectroscopy, magnetic resonance imaging (MRI), and quantum computing. The tiny thermal nuclear spin polarization represents a major obstacle towards this goal which may be overcome by dynamic nuclear spin polarization (DNP) methods. The latter often rely on the transfer of the thermally polarized electron spins to nearby nuclear spins, which is limited by the Boltzmann distribution of the former. Here we utilize microwave dressed states to transfer the high (>92 % ) nonequilibrium electron spin polarization of a single nitrogen-vacancy center (NV) induced by short laser pulses to the surrounding 13C carbon nuclear spins. The NV is repeatedly repolarized optically, thus providing an effectively infinite polarization reservoir. A saturation of the polarization of the nearby nuclear spins is achieved, which is confirmed by the decay of the polarization transfer signal and shows an excellent agreement with theoretical simulations. Hereby we introduce the polarization readout by polarization inversion method as a quantitative magnetization measure of the nuclear spin bath, which allows us to observe by ensemble averaging macroscopically hidden polarization dynamics like Landau-Zener-Stückelberg oscillations. Moreover, we show that using the integrated solid effect both for single- and double-quantum transitions nuclear spin polarization can be achieved even when the static magnetic field is not aligned along the NV's crystal axis. This opens a path for the application of our DNP technique to spins in and outside of nanodiamonds, enabling their application as MRI tracers. Furthermore, the methods reported here can be applied to other solid state systems where a central electron spin is coupled to a nuclear spin bath, e.g., phosphor donors in silicon and color centers in silicon carbide.

  12. Inelastic electron tunneling spectroscopy of a single nuclear spin.

    Science.gov (United States)

    Delgado, F; Fernández-Rossier, J

    2011-08-12

    Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of inelastic electron tunneling spectroscopy (IETS). We consider two different systems, a magnetic adatom probed with scanning tunneling microscopy and a single Bi dopant in a silicon nanotransistor. We find that the hyperfine coupling opens new transport channels which can be resolved at experimentally accessible temperatures. Our simulations evince that IETS yields information about the occupations of the nuclear spin states, paving the way towards transport-detected single nuclear spin resonance.

  13. The dynamic of the contact between Humaita fields and the natural forest of south Amazonas through the isotopic study ({sup 12} C, {sup 13} C and {sup 14} C) of the soil organic matter; A dinamica do contato campo de Humaita-floresta natural do sul do Amazonas atraves do estudo isotopico ({sup 12} C, {sup 13} C and {sup 14} C) da materia organica do solo

    Energy Technology Data Exchange (ETDEWEB)

    Gouveia, S.E.M.; Pessenda, L.C.R.; Roveratti, R.; Cruz, M.V.L.; Bonini, C. [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil); Aravena, R. [Waterloo Univ., ON (Canada). Dept. of Earth Sciences; Boulet, R. [Sao Paulo Univ., SP (Brazil). Inst. de Geociencias; Gomes, B.M. [Fundacao Universidade Federal de Rondonia, Ji-Parana, RO (Brazil)

    1997-10-01

    This paper presents isotopic data ({sup 12} C, {sup 13} C and {sup 14} C) of five soil profiles from the southern region of State of Amazonas, where is located the Campos de Humaita (savannah) vegetation community, surrounded by the tropical forest. The objective is to supply information about probable palaeoclimatic and palaeovegetation changes occurred in the tropical region for the last 10,000 years. Stable carbon isotopes of the soil organic matter (SOM) were used for the characterization of the expansion/regression process of the ecosystem equilibrium, and the radiocarbon dating of the SOM to establish the chronology. (author). 24 refs., 3 tabs.

  14. Exploring Localization in Nuclear Spin Chains

    Science.gov (United States)

    Wei, Ken Xuan; Ramanathan, Chandrasekhar; Cappellaro, Paola

    2018-02-01

    Characterizing out-of-equilibrium many-body dynamics is a complex but crucial task for quantum applications and understanding fundamental phenomena. A central question is the role of localization in quenching thermalization in many-body systems and whether such localization survives in the presence of interactions. Probing this question in real systems necessitates the development of an experimentally measurable metric that can distinguish between different types of localization. While it is known that the localized phase of interacting systems [many-body localization (MBL)] exhibits a long-time logarithmic growth in entanglement entropy that distinguishes it from the noninteracting case of Anderson localization (AL), entanglement entropy is difficult to measure experimentally. Here, we present a novel correlation metric, capable of distinguishing MBL from AL in high-temperature spin systems. We demonstrate the use of this metric to detect localization in a natural solid-state spin system using nuclear magnetic resonance (NMR). We engineer the natural Hamiltonian to controllably introduce disorder and interactions, and observe the emergence of localization. In particular, while our correlation metric saturates for AL, it slowly keeps increasing for MBL, demonstrating analogous features to entanglement entropy, as we show in simulations. Our results show that our NMR techniques, akin to measuring out-of-time correlations, are well suited for studying localization in spin systems.

  15. Structure and reactivity of lithium amides. /sup 6/Li, /sup 13/C, and /sup 15/N NMR spectroscopic studies and colligative measurements of lithium diphenylamide and lithium diphenylamide-lithium bromide complex solvated by tetrahydrofuran

    Energy Technology Data Exchange (ETDEWEB)

    DePue, J.S.; Collum, D.B.

    1988-08-03

    /sup 6/Li, /sup 13/C, and /sup 15/N NMR spectroscopic studies of lithium diphenylamide in THF/hydrocarbon solutions (THF = tetrahydrofuran) detected two different species. /sup 6/Li and /sup 15/N NMR spectroscopic studies of (/sup 6/Li, /sup 15/N)lithium diphenylamide showed the species observed at low THF concentrations to be a cyclic oligomer. Structural analogies provided strong support for a dimer while colligative measurements at 0/degrees/C indicated the dimer to be di- or trisolvated. On the basis of the observed mass action effects, the species appearing at intermediate THF concentrations is assigned as a contact or solvent-separated ion-paired monomer. Lithium diphenylamide forms a 1:1 adduct with lithium bromide at low THF concentrations. A combination of /sup 6/Li-/sup 15/N double labeling studies and colligative measurements supports a trisolvated cyclic mixed dimer structure. Although detailed spectroscopic studies at elevated THF concentrations were precluded by high fluctionality, the similarity of the /sup 13/C chemical shifts of lithium diphenylamide in the presence and absence of lithium bromide provide indirect evidence that the mixed dimer undergoes a THF concentration dependent dissociation to the monomeric amide and free lithium bromide. 24 references, 9 figures, 2 tables.

  16. Condensed aromatic rings and E{sub 4}/E{sub 6} ratio: humic acids in gleysoils studied by NMR CP/MAS{sup 13}C, and dipolar dephasing; Aneis aromaticos condensados e relacao E{sub 4}/E{sub 6}: estudo de acidos humicos de gleissolos por RMN de {sup 13}C no estado solido utilizando a tecnica CP/MAS desacoplamento defasado

    Energy Technology Data Exchange (ETDEWEB)

    Saab, Sergio da Costa [Universidade Estadual de Ponta Grossa, PR (Brazil). Dept. de Fisica]. E-mail: scsaab@uepg.br; Martin-Neto, Ladislau [Empresa Brasileira de Pesquisa Agropecuaria, Sao Carlos, SP (Brazil)

    2007-03-15

    In this work, seven samples of humic acids extracted from gleysoils were investigated. These studies, using NMR CP/MAS {sup 13}C techniques, did not show significant correlation between the E{sub 4}/E{sub 6} ratio and the degree of aromaticity. However, dipolar dephasing (DD) measurements of condensed aromatic or substituted carbons showed a negative correlation of 0.94. Also, there was a good correlation between the amount of semiquinone free radicals measured by the EPR technique and condensed aromatic rings measured by NMR CP/MAS {sup 13}C with the DD technique. The content of semiquinone free radicals was quantified by EPR spectroscopy and was correlated with the humification (degree of aromaticity) of the humic substances. The results indicated that the E{sub 4}/E{sub 6} ratio identifies the degree of aromatic rings condensation. It was also found that the degree of aromaticity, measured by NMR, as frequently presented in the literature (by conventional CP/MAS), underestimates aromatic rings in condensed structures. (author)

  17. Fast Electrical Control of Single Electron Spins in Quantum Dots with Vanishing Influence from Nuclear Spins

    Science.gov (United States)

    Yoneda, J.; Otsuka, T.; Nakajima, T.; Takakura, T.; Obata, T.; Pioro-Ladrière, M.; Lu, H.; Palmstrøm, C. J.; Gossard, A. C.; Tarucha, S.

    2014-12-01

    We demonstrate fast universal electrical spin manipulation with inhomogeneous magnetic fields. With fast Rabi frequency up to 127 MHz, we leave the conventional regime of strong nuclear-spin influence and observe a spin-flip fidelity >96 % , a distinct chevron Rabi pattern in the spectral-time domain, and a spin resonance linewidth limited by the Rabi frequency, not by the dephasing rate. In addition, we establish fast z rotations up to 54 MHz by directly controlling the spin phase. Our findings will significantly facilitate tomography and error correction with electron spins in quantum dots.

  18. Spin squeezing of atomic ensembles via nuclear-electronic spin entanglement

    DEFF Research Database (Denmark)

    Fernholz, Thomas; Krauter, Hanna; Jensen, Kasper

    2008-01-01

    quantum limit for quantum memory experiments and applications in quantum metrology and is thus a complementary alternative to spin squeezing obtained via inter-atom entanglement. Squeezing of the collective spin is verified by quantum state tomography.......We demonstrate spin squeezing in a room temperature ensemble of 1012 Cesium atoms using their internal structure, where the necessary entanglement is created between nuclear and electronic spins of each individual atom. This state provides improvement in measurement sensitivity beyond the standard...

  19. Thermodynamics of Rh nuclear spins calculated by exact diagonalization

    DEFF Research Database (Denmark)

    Lefmann, K.; Ipsen, J.; Rasmussen, F.B.

    2000-01-01

    We have employed the method of exact diagonalization to obtain the full-energy spectrum of a cluster of 16 Rh nuclear spins, having dipolar and RK interactions between first and second nearest neighbours only. We have used this to calculate the nuclear spin entropy, and our results at both positi...

  20. Brominated and phosphorus flame retardants in White-tailed Eagle Haliaeetus albicilla nestlings: Bioaccumulation and associations with dietary proxies (δ{sup 13}C, δ{sup 15}N and δ{sup 34}S)

    Energy Technology Data Exchange (ETDEWEB)

    Eulaers, Igor, E-mail: igor.eulaers@uantwerpen.be [Ethology Group, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Jaspers, Veerle L.B., E-mail: veerle.jaspers@ntnu.no [Ethology Group, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Department of Biology, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Halley, Duncan J., E-mail: duncan.halley@nina.no [Norwegian Institute for Nature Research, Postboks 5685 Sluppen, 7485 Trondheim (Norway); Lepoint, Gilles, E-mail: G.Lepoint@ulg.ac.be [MARE Centre, Oceanology, University of Liège, Allée de la Chimie 3, 4000 Liège (Belgium); Nygård, Torgeir, E-mail: Torgeir.Nygard@nina.no [Norwegian Institute for Nature Research, Postboks 5685 Sluppen, 7485 Trondheim (Norway); Pinxten, Rianne, E-mail: annie.pinxten@uantwerpen.be [Ethology Group, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Covaci, Adrian, E-mail: adrian.covaci@uantwerpen.be [Toxicological Centre, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Eens, Marcel, E-mail: marcel.eens@uantwerpen.be [Ethology Group, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium)

    2014-04-01

    Very little is known on the exposure of high trophic level species to current-use brominated (BFRs) and phosphorus flame retardants (PFRs), although observations on their persistence, bioaccumulation potential, and toxicity have been made. We investigated the accumulation of BFRs and PFRs, and their associations with dietary proxies (δ{sup 13}C, δ{sup 15}N and δ{sup 34}S), in plasma and feathers of White-tailed Eagle Haliaeetus albicilla nestlings from Trøndelag, Norway. In addition to accumulation of a wide range of polybrominated diphenyl ether (PBDE) congeners in both plasma and feathers, all non-PBDE BFRs and PFRs could be measured in feathers, while in plasma only two of six PFRs, i.e. tris-(2-chloroisopropyl) phosphate (TCIPP) and tris-(2,3-dichloropropyl) phosphate (TDCPP) were detected. PFR concentrations in feathers (0.95–3000 ng g{sup −1}) were much higher than selected organochlorines (OCs), such as polychlorinated biphenyl 153 (CB 153; 2.3–15 ng g{sup −1}) and dichlorodiphenyldichloroethylene (p,p′-DDE; 2.3–21 ng g{sup −1}), PBDEs (0.03–2.3 ng g{sup −1}) and non-PBDE BFRs (0.03–1.5 ng g{sup −1}). Non-significant associations of PFR concentrations in feathers with those in plasma (P ≥ 0.74), and their similarity to reported atmospheric PFR concentrations, may suggest atmospheric PFR deposition on feathers. Most OCs and PBDEs, as well as tris(chloroethyl) phosphate (TCEP), tris(phenyl) phosphate (TPHP) and tri-(2-butoxyethyl) phosphate (TBOEP) were associated to δ{sup 15}N and/or δ{sup 13}C (all P ≤ 0.02). Besides δ{sup 15}N enrichment, δ{sup 34}S was depleted in nestlings from fjords, inherently close to an urbanised centre. As such, both may have been a spatial proxy for anthropogenic disturbance, possible confounding their use as dietary proxy. - Highlights: • Non-PBDE BFRs and PFRs were highly detected in feathers, but poorly in plasma. • PFR levels in feathers were up to 100-fold those of BFRs and selected OCs.

  1. Seasonal mercury concentrations and {delta}{sup 15}N and {delta}{sup 13}C values of benthic macroinvertebrates and sediments from a historically polluted estuary in south central Chile

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Jaramillo, Mauricio, E-mail: mdiazjaramillo@conicet.gov.ar [Aquatic Systems Research Unit, EULA Chile Environmental Sciences Centre, Universidad de Concepcion (Chile); Munoz, Claudia; Rudolph, Ignacio [Aquatic Systems Research Unit, EULA Chile Environmental Sciences Centre, Universidad de Concepcion (Chile); Servos, Mark [Department of Biology, University of Waterloo, ON (Canada); Barra, Ricardo [Aquatic Systems Research Unit, EULA Chile Environmental Sciences Centre, Universidad de Concepcion (Chile)

    2013-01-01

    The Lenga Estuary is one of the most industrialized sites in south central Chile where the historic operation of chlor-alkali plants resulted in large quantities of mercury (Hg) being deposited into the estuary. This historical contamination may still represent a risk to the biota in the estuary. To investigate this four macroinvertebrates, Neotrypaea uncinata (ghostshrimp), Elminius kingii (barnacle), Hemigrapsus crenulatus (shore crab) and Perinereis gualpensis (ragworm) were collected seasonally from three different sites in the Lenga Estuary and one in a reference estuary (Tubul Estuary), and analyzed for Hg and stable isotopes ({delta}{sup 15}N and {delta}{sup 13}C). Mercury concentrations in Lenga sediments ranged from 0.4 {+-} 0.1 to 13 {+-} 3 mg/kg, while those in Tubul sediments ranged from 0.02 {+-} 0.01 to 0.07 {+-} 0.09 mg/kg. Total Hg concentrations of invertebrates were significantly different between estuaries (p < 0.05), but not by species or season for each estuary (p > 0.05). In contrast, organic Hg concentrations were different by species and season with shore crab muscle tissues exhibiting the greatest percent difference. Site-specific relationships demonstrated that total Hg concentrations in ragworm best reflected the total Hg sediment mercury concentrations. Signatures of {delta}{sup 13}C were correlated to the organic Hg % rather than total Hg. This suggests that organic Hg concentrations in these species were related to the carbon sources. -- Highlights: Black-Right-Pointing-Pointer Hg in sediments and biota from Lenga Estuary were elevated compared to nearby estuary. Black-Right-Pointing-Pointer Invertebrates showed interspecific and seasonal differences in terms of organic Hg %. Black-Right-Pointing-Pointer Total Hg levels in the ragworm best reflect Hg sediment gradient in Lenga Estuary. Black-Right-Pointing-Pointer Interspecific variation in {delta}{sup 13}C signatures indicated different feeding modes. Black

  2. Optically induced dynamic nuclear spin polarisation in diamond

    Science.gov (United States)

    Scheuer, Jochen; Schwartz, Ilai; Chen, Qiong; Schulze-Sünninghausen, David; Carl, Patrick; Höfer, Peter; Retzker, Alexander; Sumiya, Hitoshi; Isoya, Junichi; Luy, Burkhard; Plenio, Martin B.; Naydenov, Boris; Jelezko, Fedor

    2016-01-01

    The sensitivity of magnetic resonance imaging (MRI) depends strongly on nuclear spin polarisation and, motivated by this observation, dynamical nuclear spin polarisation has recently been applied to enhance MRI protocols (Kurhanewicz et al 2011 Neoplasia 13 81). Nuclear spins associated with the 13C carbon isotope (nuclear spin I = 1/2) in diamond possess uniquely long spin lattice relaxation times (Reynhardt and High 2011 Prog. Nucl. Magn. Reson. Spectrosc. 38 37). If they are present in diamond nanocrystals, especially when strongly polarised, they form a promising contrast agent for MRI. Current schemes for achieving nuclear polarisation, however, require cryogenic temperatures. Here we demonstrate an efficient scheme that realises optically induced 13C nuclear spin hyperpolarisation in diamond at room temperature and low ambient magnetic field. Optical pumping of a nitrogen-vacancy centre creates a continuously renewable electron spin polarisation which can be transferred to surrounding 13C nuclear spins. Importantly for future applications we also realise polarisation protocols that are robust against an unknown misalignment between magnetic field and crystal axis.

  3. Synthesis of biodiesel from rocket seed oil and its characterization by FT-IR, NMR (/sup 1/H and /sup 13/C) and GC-MS

    International Nuclear Information System (INIS)

    Khalid, N.

    2012-01-01

    The limited resources of fossil fuel, increasing prices of crude oils and environmental concerns have motivated the researcher for alternate fuels, such as bio diesel that is obtained from vegetable oils. Therefore, bio diesel was synthesized from Rocket seed oil by base catalyzed transesterification with methanol. The physical parameters like dynamic viscosity (3.88 cp), specific gravity (0.893 g cm/sup 3/), kinematic viscosity (5.85 mm/sup 2/s/sup 1/)), density (0.877 g cm/sup 3/), cloud point (3 deg. C), flash point (110 deg. C) and acid number (0.07 mg KOH g/sup 1/) of the synthesized rocket seed oil bio diesel (RSOB) were determined and were found to be comparable with ASTM recommended values for diesels. Chemical composition of the bio diesels formed was determined by various techniques like Fourier transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy (/sup 1/H, 13/C) and gas chromatography-mass spectrometry (GCMS). The /sup 1/H NMR spectrum of RSOB is given. (Orig./A.B.)

  4. A new system for the simultaneous measurement of δ{sup 13}C and δ{sup 15}N by IRMS and radiocarbon by AMS on gaseous samples: Design features and performances of the gas handling interface

    Energy Technology Data Exchange (ETDEWEB)

    Braione, Eugenia; Maruccio, Lucio; Quarta, Gianluca; D’Elia, Marisa; Calcagnile, Lucio, E-mail: lucio.calcagnile@unisalento.it

    2015-10-15

    We present the general design features and preliminary performances of a new system for the simultaneous AMS-{sup 14}C and IRMS δ{sup 13}C and δ{sup 15}N measurements on samples with masses in the μg range. The system consists of an elemental analyzer (EA), a gas splitting unit (GSU), a IRMS system, a gas handling interface (GHI) and a sputtering ion source capable of accepting gaseous samples. A detailed description of the system and of the control software supporting unattended operation are presented together with the first performance tests carried out by analyzing samples with masses ranging from 8 μgC to 2.4 mgC. The performances of the system were tested in term of stability of the ion beam extracted from the ion source, precision and accuracy of the results by comparing the measured isotopic ratios with those expected for reference materials.

  5. Iboga alkaloids from Peschiera affinis (Apocynaceae) - unequivocal {sup 1}H and {sup 13}C chemical shift assignments: antioxidant activity; Alcaloides iboga de Peschiera affinis (Apocynaceae) - atribuicao inequivoca dos deslocamentos quimicos dos atomos de hidrogenio e carbono: atividade antioxidante

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Allana Kellen L.; Magalhaes, Ticiane S.; Monte, Francisco Jose Q.; Mattos, Marcos Carlos de; Oliveira, Maria Conceicao F. de; Almeida, Maria Mozarina B.; Lemos, Telma L.G.; Braz-Filho, Raimundo [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Organica e Inorganica], e-mail: tlemos@dqoi.ufc.br

    2009-07-01

    Six known alkaloids iboga type and the triterpene {alpha}- and {beta}-amyrin acetate were isolated from the roots and stems of Peschiera affinis. Their structures were characterized on the basis of spectral data mainly NMR and mass spectra. 1D and 2D NMR spectra were also used to unequivocal {sup 1}H and {sup 13}C chemical shift assignments of alkaloids. The ethanolic extract of roots, alkaloidic and no-alkaloidic fractions and iso-voacristine hydroxyindolenine and voacangine were evaluated for their antioxidative properties using an autographic assay based on {beta}-carotene bleaching on TLC plates, and also spectrophotometric detection by reduction of the stable DPPH (2,2-diphenyl-1-picrylhydrazyl) free radical. (author)

  6. Diagenetic mineralization in Pennsylvanian coals from Indiana, USA: {sup 13}C/{sup 12}C and {sup 18}O/{sup 16}O implications for cleat origin and coalbed methane generation

    Energy Technology Data Exchange (ETDEWEB)

    Solano-Acosta, Wilfrido [Indiana Geological Survey, Indiana University, Bloomington, IN 47405 (United States); Department of Geological Sciences, Indiana University, Bloomington, IN 47405 (United States); Schimmelmann, Arndt [Department of Geological Sciences, Indiana University, Bloomington, IN 47405 (United States); Mastalerz, Maria [Indiana Geological Survey, Indiana University, Bloomington, IN 47405 (United States); Arango, Irene [Department of Geological Sciences, Indiana University, Bloomington, IN 47405 (United States); Chevron Energy Technology Company, Houston, TX, 77002 (United States)

    2008-02-01

    Cleats and fractures in southwestern Indiana coal seams are often filled with authigenic kaolinite and/or calcite. Carbon- and oxygen-stable isotope ratios of kaolinite, calcite, and coalbed CO{sub 2} were evaluated in combination with measured values and published estimates of {delta}{sup 18}O of coalbed paleowaters that had been present at the time of mineralization. {delta}{sup 18}O{sub mineral} and {delta}{sup 18}O{sub water} values jointly constrain the paleotemperature of mineralization. The isotopic evidence and the thermal and tectonic history of this part of the Illinois Basin led to the conclusion that maximum burial and heat-sterilization of coal seams approximately 272 Ma ago was followed by advective heat redistribution and concurrent precipitation of kaolinite in cleats at a burial depth of < 1600 m at {proportional_to} 78 {+-} 5 C. Post-Paleozoic uplift, the development of a second generation of cleats, and subsequent precipitation of calcite occurred at shallower burial depth between {proportional_to} 500 to {proportional_to} 1300 m at a lower temperature of 43 {+-} 6 C. The available paleowater in coalbeds was likely ocean water and/or tropical meteoric water with a {delta}{sup 18}O{sub water} {proportional_to} - 1.25 permille versus VSMOW. Inoculation of coalbeds with methanogenic CO{sub 2}-reducing microbes occurred at an even later time, because modern microbially influenced {sup 13}C-enriched coalbed CO{sub 2} (i.e., the isotopically fractionated residue of microbial CO{sub 2} reduction) is out of isotopic equilibrium with {sup 13}C-depleted calcite in cleats. (author)

  7. Defining fish community structure in Lake Winnipeg using stable isotopes (δ{sup 13}C, δ{sup 15}N, δ{sup 34}S): Implications for monitoring ecological responses and trophodynamics of mercury and other trace elements

    Energy Technology Data Exchange (ETDEWEB)

    Ofukany, Amy F.A. [Toxicology Centre, University of Saskatchewan, 44 Campus Drive, Saskatoon, Saskatchewan S7N 5B3 (Canada); Wassenaar, Leonard I. [Environment Canada, 11 Innovation Boulevard, Saskatoon, Saskatchewan S7N 3H5 (Canada); Bond, Alexander L., E-mail: alex.bond@rspb.org.uk [Environment Canada, 11 Innovation Boulevard, Saskatoon, Saskatchewan S7N 3H5 (Canada); Hobson, Keith A. [Environment Canada, 11 Innovation Boulevard, Saskatoon, Saskatchewan S7N 3H5 (Canada)

    2014-11-01

    The ecological integrity of freshwater lakes is influenced by atmospheric and riverine deposition of contaminants, shoreline development, eutrophication, and the introduction of non-native species. Changes to the trophic structure of Lake Winnipeg, Canada, and consequently, the concentrations of contaminants and trace elements measured in tissues of native fishes, are likely attributed to agricultural runoff from the 977,800 km{sup 2} watershed and the arrival of non-native zooplankters and fishes. We measured δ{sup 13}C, δ{sup 15}N, and δ{sup 34}S along with concentrations of 15 trace elements in 17 native fishes from the north and south basins of Lake Winnipeg in 2009 and 2010. After adjusting for differences in isotopic baseline values between the two basins, fishes in the south basin had consistently higher δ{sup 13}C and δ{sup 34}S, and lower δ{sup 15}N. We found little evidence of biomagnification of trace elements at the community level, but walleye (Sander vitreus) and freshwater drum (Aplodinotus grunniens) had higher mercury and selenium concentrations with increased trophic position, coincident with increased piscivory. There was evidence of growth dilution of cobalt, copper, manganese, molybdenum, thallium, and vanadium, and bioaccumulation of mercury, which could be explained by increases in algal (and consequently, lake and fish) productivity. We conclude that the north and south basins of Lake Winnipeg represent very different communities with different trophic structures and trace element concentrations. - Highlights: • Anthropogenic eutrophication and non-native species affect Lake Winnipeg’s ecosystem. • We measured stable isotopes and trace elements in 15 native fish species. • There was more evidence for growth dilution than biomagnification for most elements. • The trophic structures of the north and south basins were different. • These results will help determine the effects of recent arrival of zebra mussels.

  8. Stimulated nuclear spin echos and spectral diffusion in glasses

    International Nuclear Information System (INIS)

    Borges, N.M.; Engelsberg, M.

    1984-01-01

    Experimental results of stimulated nuclear spin echos decay in glasses are presented. The measurements were performed in B 2 O 3 glasses, at the 23Na and 11 B resonance lines. The data analysis allows the study of Spectral diffusion at an inhomogeneous nuclear magnetic (NMR) resonance line, broadened for a desordered system of nuclear spins. A model is proposed to explain the time constants, and the particular form of the decay. (A.C.A.S.) [pt

  9. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1984-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given. 12 references

  10. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1985-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given

  11. An endohedral fullerene-based nuclear spin quantum computer

    International Nuclear Information System (INIS)

    Ju Chenyong; Suter, Dieter; Du Jiangfeng

    2011-01-01

    We propose a new scalable quantum computer architecture based on endohedral fullerene molecules. Qubits are encoded in the nuclear spins of the endohedral atoms, which posses even longer coherence times than the electron spins which are used as the qubits in previous proposals. To address the individual qubits, we use the hyperfine interaction, which distinguishes two modes (active and passive) of the nuclear spin. Two-qubit quantum gates are effectively implemented by employing the electronic dipolar interaction between adjacent molecules. The electron spins also assist in the qubit initialization and readout. Our architecture should be significantly easier to implement than earlier proposals for spin-based quantum computers, such as the concept of Kane [B.E. Kane, Nature 393 (1998) 133]. - Research highlights: → We propose an endohedral fullerene-based scalable quantum computer architecture. → Qubits are encoded on nuclear spins, while electron spins serve as auxiliaries. → Nuclear spins are individually addressed using the hyperfine interaction. → Two-qubit gates are implemented through the medium of electron spins.

  12. Calculations of the indirect nuclear spin-spin coupling constants of PbH4

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Sauer, Stephan P. A.

    1999-01-01

    We report ab initio calculations of the indirect nuclear spin-spin coupling constants of PbH4 using a basis set which was specially optimized for correlated calculations of spin-spin coupling constants. All nonrelativistic contributions and the most important part of the spin-orbit correction wer...

  13. Nuclear spin-lattice relaxation in carbon nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Panich, A.M., E-mail: pan@bgu.ac.i [Department of Physics, Ben-Gurion University of the Negev, P.O. Box 653, Beer Sheva 84105 (Israel); Sergeev, N.A. [Institute of Physics, University of Szczecin, 70-451 Szczecin (Poland)

    2010-04-15

    Interpretation of nuclear spin-lattice relaxation data in the carbon nanostructures is usually based on the analysis of fluctuations of dipole-dipole interactions of nuclear spins and anisotropic electron-nuclear interactions responsible for chemical shielding, which are caused by molecular dynamics. However, many nanocarbon systems such as fullerene and nanotube derivatives, nanodiamonds and carbon onions reveal noticeable amount of paramagnetic defects with unpaired electrons originating from dangling bonds. The interaction between nuclear and electron spins strongly influences the nuclear spin-lattice relaxation, but usually is not taken into account, thus the relaxation data are not correctly interpreted. Here we report on the temperature dependent NMR spectra and spin-lattice relaxation measurements of intercalated fullerenes C{sub 60}(MF{sub 6}){sub 2} (M=As and Sb), where nuclear relaxation is caused by both molecular rotation and interaction between nuclei and unpaired electron spins. We present a detailed theoretical analysis of the spin-lattice relaxation data taking into account both these contributions. Good agreement between the experimental data and calculations is obtained. The developed approach would be useful in interpreting the NMR relaxation data in different nanostructures and their intercalation compounds.

  14. Nuclear spin-lattice relaxation in nitroxide spin-label EPR

    DEFF Research Database (Denmark)

    Marsh, Derek

    2016-01-01

    that the definition of nitrogen nuclear relaxation rate Wn commonly used in the CW-EPR literature for 14N-nitroxyl spin labels is inconsistent with that currently adopted in time-resolved EPR measurements of saturation recovery. Redefinition of the normalised 14N spin-lattice relaxation rate, b = Wn/(2We), preserves...... of spin-lattice relaxation in this three-level system. Expressions for CW-saturation EPR with the revised definitions are summarised. Data on nitrogen nuclear spin-lattice relaxation times are compiled according to the three-level scheme for 14N-relaxation: T1 n = 1/Wn. Results are compared and contrasted...... the expressions used for CW-EPR, whilst rendering them consistent with expressions for saturation recovery rates in pulsed EPR. Furthermore, values routinely quoted for nuclear relaxation times that are deduced from EPR spectral diffusion rates in 14N-nitroxyl spin labels do not accord with conventional analysis...

  15. Electronic readout of a single nuclear spin using a molecular spin transistor

    Science.gov (United States)

    Vincent, R.; Klyastskaya, S.; Ruben, M.; Wernsdorfer, W.; Balestro, F.

    2012-02-01

    Quantum control of individual spins in condensed matter devices is an emerging field with a wide range of applications ranging from nanospintronics to quantum computing [1,2]. The electron, with its spin and orbital degrees of freedom, is conventionally used as carrier of the quantum information in the devices proposed so far. However, electrons exhibit a strong coupling to the environment leading to reduced relaxation and coherence times. Indeed quantum coherence and stable entanglement of electron spins are extremely difficult to achieve. We propose a new approach using the nuclear spin of an individual metal atom embedded in a single-molecule magnet (SMM). In order to perform the readout of the nuclear spin, the quantum tunneling of the magnetization (QTM) of the magnetic moment of the SMM in a transitor-like set-up is electronically detected. Long spin lifetimes of an individual nuclear spin were observed and the relaxation characteristics were studied. The manipulation of the nuclear spin state of individual atoms embedded in magnetic molecules opens a completely new world, where quantum logic may be integrated.[4pt] [1] L. Bogani, W. Wernsdorfer, Nature Mat. 7, 179 (2008).[0pt] [2] M. Urdampilleta, S. Klyatskaya, J.P. Cleuziou, M. Ruben, W. Wernsdorfer, Nature Mat. 10, 502 (2011).

  16. Quantum computation with nuclear spins in quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Christ, H.

    2008-01-24

    The role of nuclear spins for quantum information processing in quantum dots is theoretically investigated in this thesis. Building on the established fact that the most strongly coupled environment for the potential electron spin quantum bit are the surrounding lattice nuclear spins interacting via the hyperfine interaction, we turn this vice into a virtue by designing schemes for harnessing this strong coupling. In this perspective, the ensemble of nuclear spins can be considered an asset, suitable for an active role in quantum information processing due to its intrinsic long coherence times. We present experimentally feasible protocols for the polarization, i.e. initialization, of the nuclear spins and a quantitative solution to our derived master equation. The polarization limiting destructive interference effects, caused by the collective nature of the nuclear coupling to the electron spin, are studied in detail. Efficient ways of mitigating these constraints are presented, demonstrating that highly polarized nuclear ensembles in quantum dots are feasible. At high, but not perfect, polarization of the nuclei the evolution of an electron spin in contact with the spin bath can be efficiently studied by means of a truncation of the Hilbert space. It is shown that the electron spin can function as a mediator of universal quantum gates for collective nuclear spin qubits, yielding a promising architecture for quantum information processing. Furthermore, we show that at high polarization the hyperfine interaction of electron and nuclear spins resembles the celebrated Jaynes-Cummings model of quantum optics. This result opens the door for transfer of knowledge from the mature field of quantum computation with atoms and photons. Additionally, tailored specifically for the quantum dot environment, we propose a novel scheme for the generation of highly squeezed collective nuclear states. Finally we demonstrate that even an unprepared completely mixed nuclear spin

  17. Quantum computation with nuclear spins in quantum dots

    International Nuclear Information System (INIS)

    Christ, H.

    2008-01-01

    The role of nuclear spins for quantum information processing in quantum dots is theoretically investigated in this thesis. Building on the established fact that the most strongly coupled environment for the potential electron spin quantum bit are the surrounding lattice nuclear spins interacting via the hyperfine interaction, we turn this vice into a virtue by designing schemes for harnessing this strong coupling. In this perspective, the ensemble of nuclear spins can be considered an asset, suitable for an active role in quantum information processing due to its intrinsic long coherence times. We present experimentally feasible protocols for the polarization, i.e. initialization, of the nuclear spins and a quantitative solution to our derived master equation. The polarization limiting destructive interference effects, caused by the collective nature of the nuclear coupling to the electron spin, are studied in detail. Efficient ways of mitigating these constraints are presented, demonstrating that highly polarized nuclear ensembles in quantum dots are feasible. At high, but not perfect, polarization of the nuclei the evolution of an electron spin in contact with the spin bath can be efficiently studied by means of a truncation of the Hilbert space. It is shown that the electron spin can function as a mediator of universal quantum gates for collective nuclear spin qubits, yielding a promising architecture for quantum information processing. Furthermore, we show that at high polarization the hyperfine interaction of electron and nuclear spins resembles the celebrated Jaynes-Cummings model of quantum optics. This result opens the door for transfer of knowledge from the mature field of quantum computation with atoms and photons. Additionally, tailored specifically for the quantum dot environment, we propose a novel scheme for the generation of highly squeezed collective nuclear states. Finally we demonstrate that even an unprepared completely mixed nuclear spin

  18. Quantum description of nuclear spin cooling in a quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Giedke, Geza; Christ, H.; Cirac, I. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, D-85748 Garching (Germany)

    2007-07-01

    We study theoretically the cooling of an ensemble of nuclear spins coupled to the spin of a localized electron in a quantum dot. We obtain a master equation for the state of the nuclear spins interacting with a sequence of polarized electrons that allows to study quantitatively the cooling process including the effect of nuclear spin coherences, which can lead to 'dark states' of the nuclear system in which further cooling is inhibited. We show that the inhomogeneous Knight field mitigates this effect strongly and that the remaining dark state limitations can be overcome by very few shifts of the electron wave function, allowing for cooling far beyond the dark state limit. Numerical integration of the master equation indicates that polarizations larger than 90% can be achieved within a millisecond timescale.

  19. Distinction of nuclear spin states with the scanning tunneling microscope.

    Science.gov (United States)

    Natterer, Fabian Donat; Patthey, François; Brune, Harald

    2013-10-25

    We demonstrate rotational excitation spectroscopy with the scanning tunneling microscope for physisorbed H(2) and its isotopes HD and D(2). The observed excitation energies are very close to the gas phase values and show the expected scaling with the moment of inertia. Since these energies are characteristic for the molecular nuclear spin states we are able to identify the para and ortho species of hydrogen and deuterium, respectively. We thereby demonstrate nuclear spin sensitivity with unprecedented spatial resolution.

  20. Synergistic effect of the simultaneous chemometric analysis of {sup 1}H NMR spectroscopic and stable isotope (SNIF-NMR, {sup 18}O, {sup 13}C) data: Application to wine analysis

    Energy Technology Data Exchange (ETDEWEB)

    Monakhova, Yulia B., E-mail: yul-monakhova@mail.ru [Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, Karlsruhe 76187 (Germany); Bruker Biospin GmbH, Silberstreifen, Rheinstetten 76287 (Germany); Department of Chemistry, Saratov State University, Astrakhanskaya Street 83, Saratov 410012 (Russian Federation); Godelmann, Rolf [Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, Karlsruhe 76187 (Germany); Hermann, Armin [Landesuntersuchungsamt -Institut für Lebensmittelchemie und Arzneimittelprüfung, Emy-Roeder-Straße 1, Mainz 55129 (Germany); Kuballa, Thomas [Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, Karlsruhe 76187 (Germany); Cannet, Claire; Schäfer, Hartmut; Spraul, Manfred [Bruker Biospin GmbH, Silberstreifen, Rheinstetten 76287 (Germany); Rutledge, Douglas N. [AgroParisTech, UMR 1145, Ingénierie Procédés Aliments, 16 rue Claude Bernard, Paris F-75005 (France)

    2014-06-23

    Highlights: • {sup 1}H NMR profilings of 718 wines were fused with stable isotope analysis data (SNIF-NMR, {sup 18}O, {sup 13}C). • The best improvement was obtained for prediction of the geographical origin of wine. • Certain enhancement was also obtained for the year of vintage (from 88 to 97% for {sup 1}H NMR to 99% for the fused data). • Independent component analysis was used as an alternative chemometric tool for classification. - Abstract: It is known that {sup 1}H NMR spectroscopy represents a good tool for predicting the grape variety, the geographical origin, and the year of vintage of wine. In the present study we have shown that classification models can be improved when {sup 1}H NMR profiles are fused with stable isotope (SNIF-NMR, {sup 18}O, {sup 13}C) data. Variable selection based on clustering of latent variables was performed on {sup 1}H NMR data. Afterwards, the combined data of 718 wine samples from Germany were analyzed using linear discriminant analysis (LDA), partial least squares-discriminant analysis (PLS-DA), factorial discriminant analysis (FDA) and independent components analysis (ICA). Moreover, several specialized multiblock methods (common components and specific weights analysis (ComDim), consensus PCA and consensus PLS-DA) were applied to the data. The best improvement in comparison with {sup 1}H NMR data was obtained for prediction of the geographical origin (up to 100% for the fused data, whereas stable isotope data resulted only in 60–70% correct prediction and {sup 1}H NMR data alone in 82–89% respectively). Certain enhancement was obtained also for the year of vintage (from 88 to 97% for {sup 1}H NMR to 99% for the fused data), whereas in case of grape varieties improved models were not obtained. The combination of {sup 1}H NMR data with stable isotope data improves efficiency of classification models for geographical origin and vintage of wine and can be potentially used for other food products as well.

  1. Spin-off technologies developed through nuclear activities

    International Nuclear Information System (INIS)

    1993-01-01

    Given the changing role of government research establishments and the interest in maximizing return on capital and intellectual investment, determining the best way to apply or ''spin-off'' technologies from the nuclear field into other industrial and commercial sectors is of increasing concern. This study by the OECD Nuclear Energy Agency draws on expertise from numerous countries to determine what the spin-offs are, where they come from, and how they can best be fostered. It looks both at the results and process of spin-offs, and helps decision-makers in government and project leaders and managers in industry to maximize their benefits. (author)

  2. Relaxation of nuclear spin on holes in semiconductors

    International Nuclear Information System (INIS)

    Gr'ncharova, E.I.; Perel', V.I.

    1977-01-01

    The longitudienal relaxation time T 1 of nuclear spins due to dipole-dipole interaction with holes in semiconductors is calculated. Expressions for T 1 in cubic and uniaxial semiconductors are obtained for non-degenerate and degenerate cases. On the basis of comparison with available experimental data for silicon the agreement with the theoretical results is obtained. It is demonstrated that in uniaxial semiconductors the time of relaxation on holes for a nuclear spin directed along the c axis is considerably greater than that for a spin in the normal direction

  3. In Folio Respiratory Fluxomics Revealed by {sup 13}C Isotopic Labeling and H/D Isotope Effects Highlight the Non-cyclic Nature of the Tricarboxylic Acid 'Cycle' in Illuminated Leaves

    Energy Technology Data Exchange (ETDEWEB)

    Tcherkez, G.; Mahe, A.; Gauthier, P.; Hodges, M. [Institut de Biotechnologie des Plantes, Plateforme Metabolisme-Metabolome IFR87, Batiment 630, Universite Paris-Sud 11, 91405 Orsay cedex (France); Tcherkez, G.; Mauve, C.; Cornic, G. [Laboratoire d' Ecophysiologie Vegetale, Ecologie Systematique Evolution (G.C.), Batiment 630, Universite Paris-Sud 11, 91405 Orsay cedex (France); Gout, E.; Bligny, R. [Laboratoire de Physiologie Cellulaire Vegetale, Commissariat a l' Energie Atomique-Grenoble, 38054 Grenoble cedex 9 (France)

    2009-07-01

    While the possible importance of the tricarboxylic acid (TCA) cycle reactions for leaf photosynthesis operation has been recognized, many uncertainties remain on whether TCA cycle biochemistry is similar in the light compared with the dark. It is widely accepted that leaf day respiration and the metabolic commitment to TCA decarboxylation are down-regulated in illuminated leaves. However, the metabolic basis (i.e. the limiting steps involved in such a down-regulation) is not well known. Here, we investigated the in vivo metabolic fluxes of individual reactions of the TCA cycle by developing two isotopic methods, {sup 13}C tracing and fluxomics and the use of H/D isotope effects, with Xanthium strumarium leaves. We provide evidence that the TCA 'cycle' does not work in the forward direction like a proper cycle but, rather, operates in both the reverse and forward directions to produce fumarate and glutamate, respectively. Such a functional division of the cycle plausibly reflects the compromise between two contrasted forces: (1) the feedback inhibition by NADH and ATP on TCA enzymes in the light, and (2) the need to provide pH-buffering organic acids and carbon skeletons for nitrate absorption and assimilation. (authors)

  4. International conference on spin observables of nuclear probes: Summary talk

    International Nuclear Information System (INIS)

    Garvey, G.T.

    1988-01-01

    A selected summary of the presentation and discussions at the 4th Telluride Conference is presented. The summary deals mainly with the effects of nuclear spin and isospin on the interaction between nucleons and their consequences in nuclear structure. 11 figs

  5. The domestication of nuclear spins by chemists and biologists

    CERN Document Server

    Ernst, R

    1992-01-01

    The usage of nuclear spins in chemistry and biology for exploring the structure and dynamics of matter is discussed. The main emphasis is put on the methodological aspects of multidimensional nuclear magnetic resonance (NMR) spectroscopy that are responsible for the success of this powerful analytical technique.

  6. Nuclear structure at high spin using multidetector gamma array and ...

    Indian Academy of Sciences (India)

    2014-04-05

    Apr 5, 2014 ... Nuclear structure at high spin. Figure 1. Schematic of the orientation of HPGe detector in GDA [4]. These signals were fed to custom-made data acquisition system Freedom [10] which was later used for data reduction. We recorded γ-ray fold of nuclear reaction using multiplicity filter made of BGO scin-.

  7. Selective carbon 13 enrichment of side chain carbons of ginkgo lignin traced by carbon 13 nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Y. (Nagoya Univ. (Japan). Faculty of Agriculture); Robert, D.R. (CEA Centre d' Etudes de Grenoble, 38 (France). Dept. de Recherche Fondamentale sur la Matiere Condensee); Terashima, N. (Forest Products Lab., Madison, WI (United States))

    Although carbon 13 nuclear magnetic resonance spectroscopy ([sup 13]C-NMR) is widely used in lignin structural studies, serious difficulties are encountered in the assignments of [sup 13]C signals because of their extensive overlaps resulting from the complex structure of lignin and of delicate detection of minor structures. To overcome these difficulties, specifically [sup 13]C-enriched precursors of lignin biosynthesis, coniferin-[side chain-[beta]-[sup 13]C] and coniferin-[side chain-[gamma]-[sup 13]C], were administered to growing stems of ginkgo (Ginkgo biloba). The NMR analysis of the milled wood lignins isolated from the newly formed xylem showed that selective enrichment of specific carbons of protolignin in the cell wall was achieved without seriously disturbing the lignin biosynthesis. The presence of saturated methylene side chains in the protolignin was shown for the first time by this selective enrichment technique in combination with NMR analysis. (authors). 23 refs., 3 figs., 1 tab.

  8. Spin-flip probability in heavy-ion inelastic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, M.; Kawa, J. (Kobe Tokiwa Junior Coll., Nagata (Japan)); Fukuda, T.; Shimoda, T.; Katori, K. (Osaka Univ., Toyonaka (Japan). Dept. of Physics; Osaka Univ., Toyonaka (Japan). Lab. of Nuclear Studies); Nakayama, S. (Tokyo Univ. (Japan). Coll. of General Education); Miura, I.; Ogata, H. (Osaka Univ., Suita (Japan). Research Center for Nuclear Physics)

    1981-11-12

    The spin-flip probability S(theta) was observed in the reaction /sup 12/C(/sup 13/C,/sup 13/C')/sup 12/C(2/sup +//sub 1/) and /sup 12/C(/sup 15/N,/sup 15/N')/sup 12/C(2/sup +//sub 1/) at E(/sup 13/C) = 87 and E(/sup 15/N) = 94 MeV, respectively, by particle-gamma angular correlations, in which gamma rays emitted both in-plane and out-of-plane were detected. Distorted-wave Born-approximation (DWBA) calculations required a strength of 2-3 MeV for the spin-orbit interaction to reproduce the observed S(theta), which is significantly larger than that given by the folding-model description.

  9. Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X=C, Si, Ge, and Sn)

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Jensen, Hans Jørgen Aagaard; Oddershede, Jens

    1997-01-01

    Using the quadratic response function at the ab initio SCF level of approximation we have calculated the relativistic corrections from the spin-orbit Hamiltonian, HSO, to the indirect nuclear spin-spin coupling constants of XH4 (X = C, Si, Ge, and Sn). We find that the spin-orbit contributions to...

  10. Polarization transfer from polarized nuclear spin to μ- spin in muonic atom

    International Nuclear Information System (INIS)

    Kuno, Yoshitaka; Nagamine, Kanetada; Yamazaki, Toshimitsu.

    1987-02-01

    A theoretical study of polarization transfer from an initially-polarized nuclear spin to a μ - spin in a muonic atom is given. The switching of the hyperfine interaction at excited muonic states as well as at the ground 1s state is taken into account. The upper state of hyperfine doublet at the muonic 1s state is considered to proceed down to the lower state. It is found that as the hyperfine interaction becomes effective at higher excited muonic orbitals, a less extent of polarization is transferred from the nuclear spin to the μ - spin. The theoretical values obtained are compared with the recent experiment of μ - repolarization in a polarized 209 Bi target. (author)

  11. Tilted Foils Nuclear Spin Polarization at REX-ISOLDE

    CERN Document Server

    Törnqvist, Hans Toshihide

    2013-08-08

    This thesis will explain and summarize my work and involvement in experiments aimed at producing nuclear spin polarization of post-accelerated beams of ions with the tilted-foils technique at the REX-ISOLDE linear accelerator at CERN. Polarizing the nuclear spin of radioactive beams in particular may provide access to observables which may be difficult to obtain otherwise. Currently, the techniques commonly employed for nuclear spin polarization are restricted to specific nuclides and experimental measurement techniques. Tilted foils polarization may provide a new tool to extend the range of nuclides that can be polarized and the types of experiments that can be performed. The experiments rely not only on the production but also on the method to measure the degree of attained polarization. Two methods will be treated, based on particle scattering in Coulomb excitation that may be utilized for stable beams, and the $\\beta$-NMR that requires $\\beta$-decaying nuclei. The experimental setups and measurements will...

  12. Nuclear paramagnetic spin relaxation theory. Paramagnetic spin probes in homogeneous and micro-heterogeneous solutions

    International Nuclear Information System (INIS)

    Westlund, P.O.

    1994-01-01

    Specific mechanisms of relaxation encountered in paramagnetic systems are described: the T1-NMRD curve and the paramagnetically enhanced nuclear spin relaxation (PER) are first discussed and a general theory of PER is proposed (nuclear paramagnetic spin relaxation theory, lattice operators, decomposition approximation, general expression of dipolar correlation functions for slow tumbling complexes, low-field approach). Numerically calculated NMRD curves are described (reorientation model, pseudo-rotation models, vibration models). Experimental studies are then analyzed: NMRD studies of paramagnetic species in an aqueous system, paramagnetic hydrated metal ions in poly-electrolytes and biochemical systems, lyotropic liquid crystalline phases, polymer solutions. 19 fig., 60 ref

  13. Selectively dispersed isotope labeling for protein structure determination by magic angle spinning NMR

    Energy Technology Data Exchange (ETDEWEB)

    Eddy, Matthew T. [Massachusetts Institute of Technology, Department of Chemistry (United States); Belenky, Marina [Brandeis University, Department of Chemistry (United States); Sivertsen, Astrid C. [Massachusetts Institute of Technology, Francis Bitter Magnet Laboratory (United States); Griffin, Robert G. [Massachusetts Institute of Technology, Department of Chemistry (United States); Herzfeld, Judith, E-mail: herzfeld@brandeis.edu [Brandeis University, Department of Chemistry (United States)

    2013-10-15

    The power of nuclear magnetic resonance spectroscopy derives from its site-specific access to chemical, structural and dynamic information. However, the corresponding multiplicity of interactions can be difficult to tease apart. Complimentary approaches involve spectral editing on the one hand and selective isotope substitution on the other. Here we present a new 'redox' approach to the latter: acetate is chosen as the sole carbon source for the extreme oxidation numbers of its two carbons. Consistent with conventional anabolic pathways for the amino acids, [1-{sup 13}C] acetate does not label {alpha} carbons, labels other aliphatic carbons and the aromatic carbons very selectively, and labels the carboxyl carbons heavily. The benefits of this labeling scheme are exemplified by magic angle spinning spectra of microcrystalline immunoglobulin binding protein G (GB1): the elimination of most J-couplings and one- and two-bond dipolar couplings provides narrow signals and long-range, intra- and inter-residue, recoupling essential for distance constraints. Inverse redox labeling, from [2-{sup 13}C] acetate, is also expected to be useful: although it retains one-bond couplings in the sidechains, the removal of CA-CO coupling in the backbone should improve the resolution of NCACX spectra.

  14. Generating highly polarized nuclear spins in solution using dynamic nuclear polarization

    DEFF Research Database (Denmark)

    Wolber, J.; Ellner, F.; Fridlund, B.

    2004-01-01

    A method to generate strongly polarized nuclear spins in solution has been developed, using Dynamic Nuclear Polarization (DNP) at a temperature of 1.2K, and at a field of 3.354T, corresponding to an electron spin resonance frequency of 94GHz. Trityl radicals are used to directly polarize 13C...... and other low-γ nuclei. Subsequent to the DNP process, the solid sample is dissolved rapidly with a warm solvent to create a solution of molecules with highly polarized nuclear spins. Two main applications are proposed: high-resolution liquid state NMR with enhanced sensitivity, and the use...

  15. Nuclear spin relaxation of methane in solid xenon

    Science.gov (United States)

    Sugimoto, Takeru; Arakawa, Ichiro; Yamakawa, Koichiro

    2018-03-01

    Nuclear spin relaxation of methane in solid xenon has been studied by infrared spectroscopy. From the analysis of the temporal changes of the rovibrational peaks, the rates of the nuclear spin relaxation of I = 2 ← 1 correlated to the rotational relaxation of J = 0 ← 1 were obtained at temperatures of 5.1-11.5 K. On the basis of the temperature dependence of the relaxation rate, the activation energy of the indirect two-phonon process was determined to be 50 ± 6 K, which is in good agreement with the rotational transition energies of J = 2 ← 1 and J = 3 ← 1. Taking into account this result and the spin degeneracy, we argue that the lowest J = 3 level in which the I = 1 and I = 2 states are degenerate acts as the intermediate point of the indirect process.

  16. Squeezing and entangling nuclear spins in helium 3

    DEFF Research Database (Denmark)

    Reinaudi, Gael; Sinatra, Alice; Dantan, Aurelien Romain

    2007-01-01

    We present a realistic model for transferring the squeezing or the entanglement of optical field modes to the collective ground state nuclear spin of 3He using metastability exchange collisions. We discuss in detail the requirements for obtaining good quantum state transfer efficiency and study...

  17. Increasing Spin Coherence in Nanodiamond via Dynamic Nuclear Polarization

    Science.gov (United States)

    Gaebel, Torsten; Rej, Ewa; Boele, Thomas; Waddington, David; Reilly, David

    Nanodiamonds are of interest for quantum information technology, as metrological sensors, and more recently as a probe of biological environments. Here we present results examining how intrinsic defects can be used for dynamic nuclear polarization that leads to a dramatic increase in both T1 and T2 for 13C spins in nanodiamond. Mechanisms to explain this enhancement are discussed.

  18. Nuclear moments of inertia at high spin

    International Nuclear Information System (INIS)

    Deleplanque, M.A.

    1982-10-01

    The competition between collective motion and alignment at high spin can be evaluated by measuring two complementary dynamic moments of inertia. The first, I band, measured in γ-γ correlation experiments, relates to the collective properties of the nucleus. A new moment of inertia I/sub eff/ is defined here, which contains both collective and alignment effects. Both of these can be measured in continuum γ-ray spectra of rotational nuclei up to high frequencies. The evolution of γ-ray spectra for Er nuclei from mass 160 to 154 shows that shell effects can directly be observed in the spectra of the lighter nuclei

  19. Combination of {sup 13}C/{sup 113}Cd NMR, potentiometry, and voltammetry in characterizing the interactions between Cd and two models of the main components of soil organic matter

    Energy Technology Data Exchange (ETDEWEB)

    Lenoble, V. [IFRE PMSE 112, CEREGE (UMR 6635 CNRS/Universite Paul Cezanne), Aix-en-Provence (France); Universite du Sud Toulon Var, Laboratoire PROTEE, La Garde Cedex (France); Garnier, C. [Universite du Sud Toulon Var, Laboratoire PROTEE, La Garde Cedex (France); Universite Bordeaux I, ISM-LPTC (UMR CNRS 5255), Talence (France); Masion, A.; Garnier, J.M. [IFRE PMSE 112, CEREGE (UMR 6635 CNRS/Universite Paul Cezanne), Aix-en-Provence (France); Ziarelli, F. [CNRS, Federation des Sciences Chimiques de Marseille, Spectropole, Marseille cedex 20 (France)

    2008-01-15

    This work allowed the characterization of the Cd-binding sites of two compounds taken as models for exudates, the main components of soil organic matter (SOM). The studied compounds were exopolysaccharides (EPS), specifically exudates of roots (polygalacturonic acid) and of soil bacteria (Phytagel). Potentiometric acid-base titrations were performed and fitting of the obtained results indicated the presence of two main classes of acidic sites, defined by their pK{sub a} values, for both EPS but of a different nature when comparing the two compounds. The two studied exopolysaccharides presented different acidic/basic site ratios: 0.15 for Phytagel and 0.76 for polygalacturonic acid. Spectroscopic techniques ({sup 13}C/{sup 113}Cd NMR, FTIR) distinguished different Cd surroundings for each of the studied EPS, which is in agreement with the titration results. Furthermore, these analyses indicated the presence of -COOH and -OH groups in various proportions for each exopolysaccharide, which should be linked to their reactivity towards cadmium. Cadmium titrations (voltammetric measurements) also differentiated different binding sites for each compound and allowed the determination of the strength of the Cd-binding site of the EPS. Fitting of the results of such voltammetric measurements was performed using PROSECE (Programme d'Optimisation et de Speciation Chimique dans l'Environnement), a software coupling chemical speciation calculation and binding parameter optimization. The fitting, taking into account the Cd{sup 2+}/H{sup +} competition towards exopolysaccharides, confirmed the acid-base titrations and spectroscopic analyses by revealing two classes of binding sites: (i) one defined as a strong complexant regarding its Cd{sup 2+}-EPS association (logK = 9-10.4) and with basic functionality regarding H{sup +}-EPS association (pK{sub a} = 11.3-11.7), and (ii) one defined as a weak complexant (logK = 7.1-8.2) and with acidic functionality (pK{sub a} = 3

  20. Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra.

    Science.gov (United States)

    Grimme, Stefan; Bannwarth, Christoph; Dohm, Sebastian; Hansen, Andreas; Pisarek, Jana; Pracht, Philipp; Seibert, Jakob; Neese, Frank

    2017-11-13

    We present a composite procedure for the quantum-chemical computation of spin-spin-coupled 1 H NMR spectra for general, flexible molecules in solution that is based on four main steps, namely conformer/rotamer ensemble (CRE) generation by the fast tight-binding method GFN-xTB and a newly developed search algorithm, computation of the relative free energies and NMR parameters, and solving the spin Hamiltonian. In this way the NMR-specific nuclear permutation problem is solved, and the correct spin symmetries are obtained. Energies, shielding constants, and spin-spin couplings are computed at state-of-the-art DFT levels with continuum solvation. A few (in)organic and transition-metal complexes are presented, and very good, unprecedented agreement between the theoretical and experimental spectra was achieved. The approach is routinely applicable to systems with up to 100-150 atoms and may open new avenues for the detailed (conformational) structure elucidation of, for example, natural products or drug molecules. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  1. Biomarker and carbon isotope constraints (δ{sup 13}C, Δ{sup 14}C) on sources and cycling of particulate organic matter discharged by large Siberian rivers draining permafrost areas

    Energy Technology Data Exchange (ETDEWEB)

    Winterfeld, Maria

    2014-08-15

    Circumpolar permafrost soils store about half of the global soil organic carbon pool. These huge amounts of organic matter (OM) could accumulate due to low temperatures and water saturated soil conditions over the course of millennia. Currently most of this OM remains frozen and therefore does not take part in the active carbon cycle, making permafrost soils a globally important carbon sink. Over the last decades mean annual air temperatures in the Arctic increased stronger than the global mean and this trend is projected to continue. As a result the permafrost carbon pool is under climate pressure possibly creating a positive climate feedback due to the thaw-induced release of greenhouse gases to the atmosphere. Arctic warming will lead to increased annual permafrost thaw depths and Arctic river runoff likely resulting in enhanced mobilization and export of old, previously frozen soil-derived OM. Consequently, the great arctic rivers play an important role in global biogeochemical cycles by connecting the large permafrost carbon pool of their hinterlands with the arctic shelf seas and the Arctic Ocean. The first part of this thesis deals with particulate organic matter (POM) from the Lena Delta and adjacent Buor Khaya Bay. The Lena River in central Siberia is one of the major pathways translocating terrestrial OM from its southernmost reaches near Lake Baikal to the coastal zone of the Laptev Sea. The permafrost soils from the Lena catchment area store huge amounts of pre-aged OM, which is expected to be remobilized due to climate warming. To characterize the composition and vegetation sources of OM discharged by the Lena River, the lignin phenol and carbon isotopic composition (δ{sup 13}C and Δ{sup 14}C) in total suspended matter (TSM) from surface waters, surface sediments from the Buor Khaya Bay along with soils from the Lena Delta's first (Holocene) and third terraces (Pleistocene ice complex) were analyzed. The lignin compositions of these samples are

  2. Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited

    Science.gov (United States)

    Buckingham, A. D.; Pyykkö, P.; Robert, J. B.; Wiesenfeld, L.

    The symmetry rules of Buckingham and Love (1970), relating the number of independent components of the indirect spin-spin coupling tensor J to the symmetry of the nuclear sites, are shown to require modification if the two nuclei are exchanged by a symmetry operation. In that case, the anti-symmetric part of J does not transform as a second-rank polar tensor under symmetry operations that interchange the coupled nuclei and may be called an anti-tensor. New rules are derived and illustrated by simple molecular models.

  3. Nuclear structure of Ra at high spin

    Indian Academy of Sciences (India)

    to such an aligned configuration in 216Ra, would be of the order of J ∼ 39 ¯h with a wave function of π(h2. 9/2 f 2 ... detectors at 99. ◦. In addition to these matrices, γ-gated γT matrices were generated for getting time spectrum between any two γ's of 216Ra which enabled lifetime measurement of isomeric nuclear levels. 3.

  4. Relaxation of coupled nuclear spin systems

    International Nuclear Information System (INIS)

    Koenigsberger, E.

    1985-05-01

    The subject of the present work is the relaxation behaviour of scalarly coupled spin-1/2 systems. In the theoretical part the semiclassical Redfield equations are used. Dipolar (D), Chemical Shift Anisotropy (CSA) and Random Field (RF) interactions are considered as relaxation mechanisms. Cross correlations of dipolar interactions of different nuclei pairs and those between the D and the CSA mechanisms are important. The model of anisotropic molecular rotational relaxation and the extreme narrowing approximation are used to obtain the spectral density functions. The longitudinal relaxation data are analyzed into normal modes following Werbelow and Grant. The time evolution of normal modes is derived for the AX system with D-CSA cross terms. In the experimental part the hypothesis of dimerization in the cinnamic acid and the methyl cinnamate - AMX systems with DD cross terms - is corroborated by T 1 -time measurements and a calculation of the diffusion constants. In pentachlorobenzene - an AX system - taking into account of D-CSA cross terms enables the complete determination of movements anosotropy and the determination of the sign of the indirect coupling constant 1 Jsub(CH). (G.Q.)

  5. Optical pump - nuclear resonance probe experiments on spin crossover complexes

    Science.gov (United States)

    Sakshath, S.; Jenni, K.; Scherthan, L.; Würtz, P.; Herlitschke, M.; Sergeev, I.; Strohm, C.; Wille, H.-C.; Röhlsberger, R.; Wolny, J. A.; Schünemann, V.

    2017-11-01

    A novel sample environment enabling optical pump - nuclear resonance probe experiments has been installed at the beamline P01, Petra III, DESY Hamburg. This set-up has been used to investigate optically induced spin state changes of spin crossover (SCO) complexes by nuclear resonant scattering immediately after excitation by an optical laser pulse. Here, we report the technical details as well as first results of the experiments performed at 290 K and 80 K on the SCO complexes [Fe (NH2trz)3]Cl2 and [Fe(PM-BiA)2(NCS)2], respectively. The 57Fe-enriched SCO complexes were excited by a 531 nm laser with a pulse length indicate the presence of high spin (HS) states when the complexes are excited by laser pulses and a pure low spin (LS) state in the absence of any laser pulse. Furthermore, the dependence of the optically excited HS-fraction has been determined as a function of the average optical power.

  6. Nuclear spin relaxation in liquids theory, experiments, and applications

    CERN Document Server

    Kowalewski, Jozef

    2006-01-01

    Nuclear magnetic resonance (NMR) is widely used across many fields because of the rich data it produces, and some of the most valuable data come from the study of nuclear spin relaxation in solution. While described to varying degrees in all major NMR books, spin relaxation is often perceived as a difficult, if not obscure, topic, and an accessible, cohesive treatment has been nearly impossible to find.Collecting relaxation theory, experimental techniques, and illustrative applications into a single volume, this book clarifies the nature of the phenomenon, shows how to study it, and explains why such studies are worthwhile. Coverage ranges from basic to rigorous theory and from simple to sophisticated experimental methods, and the level of detail is somewhat greater than most other NMR texts. Topics include cross-relaxation, multispin phenomena, relaxation studies of molecular dynamics and structure, and special topics such as relaxation in systems with quadrupolar nuclei and paramagnetic systems.Avoiding ove...

  7. Nuclear spin: Fifty years of ups and downs

    Energy Technology Data Exchange (ETDEWEB)

    Pines, A. [Lawrence Berkeley National Lab., CA (United States)

    1996-12-31

    Rumors of its demise notwithstanding, nuclear magnetic resonance (NMR) continues to flourish fifty years after our birth. The lecture will be a reminiscence about moments of excitation, coherence and relaxation in the history of NMR which produced, among other developments, spin echoes and time reversal, Fourier transform and multidimensional spectroscopy, magnetic resonance imaging, and high resolution solid state NMR. Applications of modern NMR spectroscopy cut across the boundaries of physics, chemistry, materials, biology and medicine.

  8. Achievement report on research and development of medical and welfare equipment technology. Unit {sup 13}C-MRS for noninvasive measurement of brain metabolism; Iryo fukushi kiki gijutsu kenkyu kaihatsu seika hokokusho. Mushinshuteki no taisha keisokuyo {sup 1}3C-MRS sochi

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-11-01

    The effort is to develop technologies of conducting highly sensitive, uninterrupted observation of metabolism in the brain by use of the {sup 13}C-MRS unit, for which some carbon chain compounds (glucose, amino acids, etc.), which assume an important part in metabolism, are labelled by a stable isotope {sup 13}C and then administered to living things. A multi-slice HSQC (heteronuclear single quantum coherence) method is developed for the achievement of sensitivity enhanced 16 folds, excellent compound isolating capability, and high localizing capability, and these contribute to the specification of an optimum pulse sequence. A double tuning coil is developed for transmission, and a 6-channel multi-surface coil for reception, these two providing a 3-fold increase in detection probe sensitivity. The nonlinear least-square method is applied for the processing of spectral data, which enables excellent isolation of compounds. It also enables the generation of an inclined magnetic field quick to rise and of a sequence high in amplitude/phase accuracy. New methods are developed for the synthesis of {sup 13}C-labelled glucose, dopa, glutamine, glutamic acid, and GABA (gamma-aminobutyric acid) which are expected to be useful in brain metabolism measurement, and the products are administered to animals for evaluation. (NEDO)

  9. NV-NV electron-electron spin and NV-N S electron - electron and electron-nuclear spin interaction in diamond

    Science.gov (United States)

    Armstrong, Seiji; Rogers, Lachlan J.; McMurtrie, Roger L.; Manson, Neil B.

    2010-02-01

    Features associated with the cross relaxation between spin of the ground electric state of the nitrogen vacancy centre (NV) and other impurity spins, mainly substitutional nitrogen, NS, are observed as changes of the emission intensity as a function of external magnetic field. The features are attributed to NV-NV electron-electron spin interaction, NV- NS electron-nuclear spin interaction and NV electron spin interaction with simultaneous change of an NS electron and nuclear spin change.

  10. Nuclear spin dynamics in double quantum dots : Fixed points, transients, and intermittency

    NARCIS (Netherlands)

    Rudner, M.S.; Koppens, F.H.L.; Folk, J.A.; Vandersypen, L.M.K.; Levitov, L.S.

    2011-01-01

    Transport through spin-blockaded quantum dots provides a means for electrical control and detection of nuclear spin dynamics in the host material. Although such experiments have become increasingly popular in recent years, interpretation of their results in terms of the underlying nuclear spin

  11. Long lived quantum memory with nuclear atomic spins

    International Nuclear Information System (INIS)

    Sinatra, A.; Reinaudi, G.; Dantan, A.; Giacobino, E.; Pinard, M.

    2005-01-01

    We propose store non-classical states of light into the macroscopic collective nuclear spin (10 18 atoms) of a 3 He vapor, using metastability exchange collisions. We show that these collisions currently used to transfer orientation from the metastable state 2 3 S 1 to the ground state state of 3 He, may conserve quantum correlations and give a possible experimental scheme to perfectly map a squeezed vacuum field state onto a nuclear spin state, which should allow for extremely long storage times (hours). In addition to the apparent interest for quantum information, the scheme offers the intriguing possibility to create a long-lived non classical state for spins. During a metastability exchange collision an atom in the ground state state and an atom in the metastable triplet state 2 3 S exchange their electronic spin variables. The ground state atom is then brought into the metastable state and vice-versa. A laser transition is accessible from the metastable state so that the metastable atoms are coupled with light. This, together with metastability exchange collisions, provides an effective coupling between ground state atoms and light. In our scheme, a coherent field and a squeezed vacuum field excite a Raman transition between Zeeman sublevels of the metastable state, after the system is prepared in the fully polarized state by preliminary optical pumping. According to the intensity of the coherent field, which acts as a control parameter, the squeezing of the field can be selectively transferred either to metastable or to ground state atoms. Once it is encoded in the purely nuclear spin of the ground state of 3 He, which is 20 eV apart from the nearest excited state and interacts very little with the environment, the quantum state can survive for times as long as several hours. By lighting up only the coherent field in the same configuration as for the 'writing' phase, the nuclear spin memory can be 'read' after a long delay, the squeezing being transferred

  12. Nuclear structure at high-spin and large-deformation

    International Nuclear Information System (INIS)

    Shimizu, Yoshifumi R.

    2000-01-01

    Atomic nucleus is a finite quantal system and shows various marvelous features. One of the purposes of the nuclear structure study is to understand such features from a microscopic viewpoint of nuclear many-body problem. Recently, it is becoming possible to explore nuclear states under 'extreme conditions', which are far different from the usual ground states of stable nuclei, and new aspects of such unstable nuclei attract our interests. In this lecture, I would like to discuss the nuclear structure in the limit of rapid rotation, or the extreme states with very large angular momenta, which became accessible by recent advent of large arrays of gamma-ray detecting system; these devices are extremely useful to measure coincident multiple γ-rays following heavy-ion fusion reactions. Including such experimental aspects as how to detect the nuclear rotational states, I review physics of high-spin states starting from the elementary subjects of nuclear structure study. In would like also to discuss the extreme states with very large nuclear deformation, which are easily realized in rapidly rotating nuclei. (author)

  13. Nuclear spin-spin coupling in a van der Waals-bonded system: xenon dimer.

    Science.gov (United States)

    Vaara, Juha; Hanni, Matti; Jokisaari, Jukka

    2013-03-14

    Nuclear spin-spin coupling over van der Waals bond has recently been observed via the frequency shift of solute protons in a solution containing optically hyperpolarized (129)Xe nuclei. We carry out a first-principles computational study of the prototypic van der Waals-bonded xenon dimer, where the spin-spin coupling between two magnetically non-equivalent isotopes, J((129)Xe - (131)Xe), is observable. We use relativistic theory at the four-component Dirac-Hartree-Fock and Dirac-density-functional theory levels using novel completeness-optimized Gaussian basis sets and choosing the functional based on a comparison with correlated ab initio methods at the nonrelativistic level. J-coupling curves are provided at different levels of theory as functions of the internuclear distance in the xenon dimer, demonstrating cross-coupling effects between relativity and electron correlation for this property. Calculations on small Xe clusters are used to estimate the importance of many-atom effects on J((129)Xe - (131)Xe). Possibilities of observing J((129)Xe - (131)Xe) in liquid xenon are critically examined, based on molecular dynamics simulation. A simplistic spherical model is set up for the xenon dimer confined in a cavity, such as in microporous materials. It is shown that the on the average shorter internuclear distance enforced by the confinement increases the magnitude of the coupling as compared to the bulk liquid case, rendering J((129)Xe - (131)Xe) in a cavity a feasible target for experimental investigation.

  14. Nuclear spin relaxation/resonance of 8Li in Al

    Science.gov (United States)

    Wang, D.; Salman, Z.; Chow, K. H.; Fan, I.; Hossain, M. D.; Keeler, T. A.; Kiefl, R. F.; Levy, C. D. P.; Mansour, A. I.; Morris, G. D.; Pearson, M. R.; Parolin, T. J.; Saadaoui, H.; Smadella, M.; Song, Q.; MacFarlane, W. A.

    2009-04-01

    A low energy beam of spin polarized 8Li has been used to study the behaviour of isolated 8Li implanted into a 150 nm thick film of Al on an MgO substrate. The spin relaxation rate 1/T1 and β-NMR lineshape were measured as a function of temperature in a large magnetic field of 4.1 T. The resonances from different sites are unresolved due to the large nuclear dipolar interaction with the host 27Al magnetic dipole moments. Nevertheless the temperature variation of the site averaged 1/T1 and Knight shift show evidence for a transition between the octahedral O and substitutional S sites at about 150 K, as observed in other fcc metals.

  15. Single-shot readout of multiple nuclear spin qubits in diamond under ambient conditions

    Science.gov (United States)

    Jacques, Vincent

    2013-03-01

    Nuclear spins are attractive candidates for solid-state quantum information storage and processing owing to their extremely long coherence time. However, since this appealing property results from a high level of isolation from the environment, it remains a challenging task to polarize, manipulate and readout with high fidelity individual nuclear spins. A promising approach to overcome this limitation consists in utilizing an ancillary single electronic spin to detect and control remote nuclear spins coupled by hyperfine interaction. In this talk, I will show how the electronic spin of a single Nitrogen-Vacancy (NV) defect in diamond can be used as a robust platform to observe the real-time evolution of surrounding single nuclear spins under ambient conditions. Using a diamond sample with a natural abundance of 13C isotopes, we first demonstrate high fidelity initialization and single-shot readout of an individual 13C nuclear spin. By including the intrinsic 14N nuclear spin of the NV defect in the quantum register, we then report the simultaneous observation of quantum jumps linked to both nuclear spin species, providing an efficient initialization of the two qubits. These results open up new avenues for diamond-based quantum information processing (QIP) including active feedback in quantum error correction protocols and tests of quantum correlations with solid-state single spins at room temperature.

  16. Quantum information processing with electronic and nuclear spins in semiconductors

    Science.gov (United States)

    Klimov, Paul Victor

    Traditional electronic and communication devices operate by processing binary information encoded as bits. Such digital devices have led to the most advanced technologies that we encounter in our everyday lives and they influence virtually every aspect of our society. Nonetheless, there exists a much richer way to encode and process information. By encoding information in quantum mechanical states as qubits, phenomena such as coherence and entanglement can be harnessed to execute tasks that are intractable to digital devices. Under this paradigm, it should be possible to realize quantum computers, quantum communication networks and quantum sensors that outperform their classical counterparts. The electronic spin states of color-center defects in the semiconductor silicon carbide have recently emerged as promising qubit candidates. They have long-lived quantum coherence up to room temperature, they can be controlled with mature magnetic resonance techniques, and they have a built-in optical interface operating near the telecommunication bands. In this thesis I will present two of our contributions to this field. The first is the electric-field control of electron spin qubits. This development lays foundation for quantum electronics that operate via electrical gating, much like traditional electronics. The second is the universal control and entanglement of electron and nuclear spin qubits in an ensemble under ambient conditions. This development lays foundation for quantum devices that have a built-in redundancy and can operate in real-world conditions. Both developments represent important steps towards practical quantum devices in an electronic grade material.

  17. Probing Nuclear Spin Effects on Electronic Spin Coherence via EPR Measurements of Vanadium(IV) Complexes.

    Science.gov (United States)

    Graham, Michael J; Krzyaniak, Matthew D; Wasielewski, Michael R; Freedman, Danna E

    2017-07-17

    Quantum information processing (QIP) has the potential to transform numerous fields from cryptography, to finance, to the simulation of quantum systems. A promising implementation of QIP employs unpaired electronic spins as qubits, the fundamental units of information. Though molecular electronic spins offer many advantages, including chemical tunability and facile addressability, the development of design principles for the synthesis of complexes that exhibit long qubit superposition lifetimes (also known as coherence times, or T 2 ) remains a challenge. As nuclear spins in the local qubit environment are a primary cause of shortened superposition lifetimes, we recently conducted a study which employed a modular spin-free ligand scaffold to place a spin-laden propyl moiety at a series of fixed distances from an S = 1 / 2 vanadium(IV) ion in a series of vanadyl complexes. We found that, within a radius of 4.0(4)-6.6(6) Å from the metal center, nuclei did not contribute to decoherence. To assess the generality of this important design principle and test its efficacy in a different coordination geometry, we synthesized and investigated three vanadium tris(dithiolene) complexes with the same ligand set employed in our previous study: K 2 [V(C 5 H 6 S 4 ) 3 ] (1), K 2 [V(C 7 H 6 S 6 ) 3 ] (2), and K 2 [V(C 9 H 6 S 8 ) 3 ] (3). We specifically interrogated solutions of these complexes in DMF-d 7 /toluene-d 8 with pulsed electron paramagnetic resonance spectroscopy and electron nuclear double resonance spectroscopy and found that the distance dependence present in the previously synthesized vanadyl complexes holds true in this series. We further examined the coherence properties of the series in a different solvent, MeCN-d 3 /toluene-d 8 , and found that an additional property, the charge density of the complex, also affects decoherence across the series. These results highlight a previously unknown design principle for augmenting T 2 and open new pathways for the

  18. Radioactive nuclear beams and the North American IsoSpin Laboratory (ISL) initiative

    International Nuclear Information System (INIS)

    Casten, R.F.

    1992-01-01

    Radioactive nuclear beams (RNBs) offer exciting new research opportunities in fields as diverse as nuclear structure, nuclear reactions, astrophysics atomic, materials, and applied science. Their realization in new accelerator complexes also offers important technical challenges. Some of the nuclear physics possibilities afforded by RNBs, with emphasis on low spin nuclear structure, are discussed, accompanied by an outline of the ISL initiative and its status

  19. Solid state nuclear magnetic resonance: investigating the spins of nuclear related materials

    International Nuclear Information System (INIS)

    Charpentier, Th.

    2007-10-01

    The author reviews his successive research works: his research thesis work on the Multiple Quantum Magic Angle Spinning (MQMAS) which is a quadric-polar nucleus multi-quanta correlation spectroscopy method, the modelling of NMR spectra of disordered materials, the application to materials of interest for the nuclear industry (notably the glasses used for nuclear waste containment). He presents the various research projects in which he is involved: storing glasses, nuclear magnetic resonance in paramagnetism, solid hydrogen storing matrices, methodological and instrument developments in high magnetic field and high resolution solid NMR, long range distance measurement by solid state Tritium NMR (observing the structure and dynamics of biological complex systems at work)

  20. Fingerprints of single nuclear spin energy levels using STM - ENDOR

    Science.gov (United States)

    Manassen, Yishay; Averbukh, Michael; Jbara, Moamen; Siebenhofer, Bernhard; Shnirman, Alexander; Horovitz, Baruch

    2018-04-01

    We performed STM-ENDOR experiments where the intensity of one of the hyperfine components detected in ESR-STM is recorded while an rf power is irradiated into the tunneling junction and its frequency is swept. When the latter frequency is near a nuclear transition a dip in ESR-STM signal is observed. This experiment was performed in three different systems: near surface SiC vacancies where the electron spin is coupled to a next nearest neighbor 29Si nucleus; Cu deposited on Si(111)7x7 surface, where the unpaired electron of the Cu atom is coupled to the Cu nucleus (63Cu, 65Cu) and on Tempo molecules adsorbed on Au(111), where the unpaired electron is coupled to a Nitrogen nucleus (14N). While some of the hyperfine values are unresolved in the ESR-STM data due to linewidth we find that they are accurately determined in the STM-ENDOR data including those from remote nuclei, which are not detected in the ESR-STM spectrum. Furthermore, STM-ENDOR can measure single nuclear Zeeman frequencies, distinguish between isotopes through their different nuclear magnetic moments and detect quadrupole spectra. We also develop and solve a Bloch type equation for the coupled electron-nuclear system that facilitates interpretation of the data. The improved spectral resolution of STM - ENDOR opens many possibilities for nanometric scale chemical analysis.

  1. Fingerprints of single nuclear spin energy levels using STM - ENDOR.

    Science.gov (United States)

    Manassen, Yishay; Averbukh, Michael; Jbara, Moamen; Siebenhofer, Bernhard; Shnirman, Alexander; Horovitz, Baruch

    2018-04-01

    We performed STM-ENDOR experiments where the intensity of one of the hyperfine components detected in ESR-STM is recorded while an rf power is irradiated into the tunneling junction and its frequency is swept. When the latter frequency is near a nuclear transition a dip in ESR-STM signal is observed. This experiment was performed in three different systems: near surface SiC vacancies where the electron spin is coupled to a next nearest neighbor 29 Si nucleus; Cu deposited on Si(111)7x7 surface, where the unpaired electron of the Cu atom is coupled to the Cu nucleus ( 63 Cu, 65 Cu) and on Tempo molecules adsorbed on Au(111), where the unpaired electron is coupled to a Nitrogen nucleus ( 14 N). While some of the hyperfine values are unresolved in the ESR-STM data due to linewidth we find that they are accurately determined in the STM-ENDOR data including those from remote nuclei, which are not detected in the ESR-STM spectrum. Furthermore, STM-ENDOR can measure single nuclear Zeeman frequencies, distinguish between isotopes through their different nuclear magnetic moments and detect quadrupole spectra. We also develop and solve a Bloch type equation for the coupled electron-nuclear system that facilitates interpretation of the data. The improved spectral resolution of STM - ENDOR opens many possibilities for nanometric scale chemical analysis. Copyright © 2018 Elsevier Inc. All rights reserved.

  2. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite media

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1980-01-01

    Results are found for the correlation dynamic functions (or the correspondent green functions) between any combination including pairs of electronic anel nuclear spin operators in an antiferromagnet semi-infinite media., at low temperature T N . These correlation functions, are used to investigate, at the same time, the properties of surface spin waves in volume and surface. The dispersion relatons of nuclear and electronic spin waves coupled modes, in surface are found, resolving a system of linearized equatons of spin operators a system of linearized equations of spin operators. (author) [pt

  3. Protocol for generating multiphoton entangled states from quantum dots in the presence of nuclear spin fluctuations

    Science.gov (United States)

    Denning, Emil V.; Iles-Smith, Jake; McCutcheon, Dara P. S.; Mork, Jesper

    2017-12-01

    Multiphoton entangled states are a crucial resource for many applications in quantum information science. Semiconductor quantum dots offer a promising route to generate such states by mediating photon-photon correlations via a confined electron spin, but dephasing caused by the host nuclear spin environment typically limits coherence (and hence entanglement) between photons to the spin T2* time of a few nanoseconds. We propose a protocol for the deterministic generation of multiphoton entangled states that is inherently robust against the dominating slow nuclear spin environment fluctuations, meaning that coherence and entanglement is instead limited only by the much longer spin T2 time of microseconds. Unlike previous protocols, the present scheme allows for the generation of very low error probability polarization encoded three-photon GHZ states and larger entangled states, without the need for spin echo or nuclear spin calming techniques.

  4. Voltage switching technique for detecting nuclear spin polarization in a quantum dot

    International Nuclear Information System (INIS)

    Takahashi, Ryo; Kono, Kimitoshi; Tarucha, Seigo; Ono, Keiji

    2010-01-01

    We have introduced a source-drain voltage switching technique for studying nuclear spins in a vertical double quantum dot. Switching the source-drain voltage between the spin-blockade state and the zero-bias Coulomb blockade state can tune the energy difference between the spin singlet and triplet, and effectively turn on/off the hyperfine interaction. Since the change in the nuclear spin state affects the source-drain current, nuclear spin properties can only be detected by transport measurement. Using this technique, we have succeeded in measuring the timescale of nuclear spin depolarization. Furthermore, combining this technique and an RF ac magnetic field, we successfully detected continuous-wave NMR signals of 75 As, 69 Ga, and 71 Ga, which are contained in a quantum dot. (author)

  5. Determination of the percentage of quitine desacetilation reaction by solid state carbon-13 NMR; Determinacao do porcentual de reacao de desacetilacao de quitina por RMN {sup 13} C no estado solido

    Energy Technology Data Exchange (ETDEWEB)

    Ferracin, Ricardo J. [Sao Carlos Univ., SP (Brazil). Centro de Caracterizacao e Desenvolvimento; Cass, Quezia B.; Bassi, Ana L. [Sao Carlos Univ., SP (Brazil). Lab. de Sintese Organica

    1997-12-31

    Quitine is a bi-polymer largely found in invertebrates. As most compounds of this class are insoluble in common organic solvents, the des-acetylation percentile was obtained by carbon-13 solid state nuclear magnetic resonance. The methodology is presented. Results are presented 3 refs., 1 figs.

  6. Electrical Initialization of Electron and Nuclear Spins in a Single Quantum Dot at Zero Magnetic Field.

    Science.gov (United States)

    Cadiz, Fabian; Djeffal, Abdelhak; Lagarde, Delphine; Balocchi, Andrea; Tao, Bingshan; Xu, Bo; Liang, Shiheng; Stoffel, Mathieu; Devaux, Xavier; Jaffres, Henri; George, Jean-Marie; Hehn, Michel; Mangin, Stephane; Carrere, Helene; Marie, Xavier; Amand, Thierry; Han, Xiufeng; Wang, Zhanguo; Urbaszek, Bernhard; Lu, Yuan; Renucci, Pierre

    2018-04-11

    The emission of circularly polarized light from a single quantum dot relies on the injection of carriers with well-defined spin polarization. Here we demonstrate single dot electroluminescence (EL) with a circular polarization degree up to 35% at zero applied magnetic field. The injection of spin-polarized electrons is achieved by combining ultrathin CoFeB electrodes on top of a spin-LED device with p-type InGaAs quantum dots in the active region. We measure an Overhauser shift of several microelectronvolts at zero magnetic field for the positively charged exciton (trion X + ) EL emission, which changes sign as we reverse the injected electron spin orientation. This is a signature of dynamic polarization of the nuclear spins in the quantum dot induced by the hyperfine interaction with the electrically injected electron spin. This study paves the way for electrical control of nuclear spin polarization in a single quantum dot without any external magnetic field.

  7. Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond

    Directory of Open Access Journals (Sweden)

    A. Ajoy

    2015-01-01

    Full Text Available Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the long-standing goal of single-protein, high spatial-resolution structure determination under ambient conditions. In particular, quantum sensors based on the spin-dependent photoluminescence of nitrogen-vacancy (NV centers in diamond have recently been used to detect nanoscale ensembles of external nuclear spins. While NV sensitivity is approaching single-spin levels, extracting relevant information from a very complex structure is a further challenge since it requires not only the ability to sense the magnetic field of an isolated nuclear spin but also to achieve atomic-scale spatial resolution. Here, we propose a method that, by exploiting the coupling of the NV center to an intrinsic quantum memory associated with the nitrogen nuclear spin, can reach a tenfold improvement in spatial resolution, down to atomic scales. The spatial resolution enhancement is achieved through coherent control of the sensor spin, which creates a dynamic frequency filter selecting only a few nuclear spins at a time. We propose and analyze a protocol that would allow not only sensing individual spins in a complex biomolecule, but also unraveling couplings among them, thus elucidating local characteristics of the molecule structure.

  8. Nuclear reactivity indices in the context of spin polarized density functional theory

    International Nuclear Information System (INIS)

    Cardenas, Carlos; Lamsabhi, Al Mokhtar; Fuentealba, Patricio

    2006-01-01

    In this work, the nuclear reactivity indices of density functional theory have been generalized to the spin polarized case and their relationship to electron spin polarized indices has been established. In particular, the spin polarized version of the nuclear Fukui function has been proposed and a finite difference approximation has been used to evaluate it. Applications to a series of triatomic molecules demonstrate the ability of the new functions to predict the geometrical changes due to a change in the spin multiplicity. The main equations in the different ensembles have also been presented

  9. Theoretical studies on nuclear spin selective quantum dynamics of non-linear molecules

    International Nuclear Information System (INIS)

    Grohmann, Thomas

    2012-01-01

    In this thesis the wave packet dynamics of nuclear spin isomers of polyatomic molecules after interaction with static and time-dependent magnetic fields and moderate intense nonresonant laser pulses is investigated. In particular, the process of inducing (internal) molecular rotation as well as alignment of molecules by manipulating their rotational or rotational-torsional degrees of freedom is studied. In the first part of the thesis all theoretical concepts for identifying nuclear spin isomers and for describing their quantum dynamics will be discussed. Especially the symmetrization postulate and themolecular symmetry group will be introduced and illustrated for some examples of molecules. These concepts will be extended to the case of identifying nuclear spin isomers in the presence of an external field. In the second part it is shown for nitromethane that magnetic fields are able to induce unidirectional rotations in opposite directions for different nuclear spin isomers of molecules containing methyl groups if the dipolar interaction is included. Additionally, it is demonstrated that different nuclear spin isomers of a chemical compound may show different alignment after the interaction with a moderate intense laser pulse. As shown for the rigid symmetric top propadien and the rigid asymmetric tops ethene and analogues, distinct pairs of nuclear spin isomers show at certain points in time a complementary behavior: while one isomer is showing alignment the partner isomer is showing anti-alignment. Moreover, it is illustrated that not every nuclear spin isomer can be aligned equally efficient. The alignment of non-rigid molecules is considered as well. As an example for a molecule with feasible torsion in the electronic ground state, the alignment of diboron tetrafluoride is investigated. It becomes apparent that not only rotational but also the torsional dynamics of the molecules is nuclear spin selective; different nuclear spin isomers have at distinct points

  10. Nuclear spin bath effects in molecular nanomagnets: Direct quantum mechanical simulations

    Science.gov (United States)

    Sinitsyn, N. A.; Dobrovitski, V. V.

    2004-11-01

    We investigate the influence of nuclear spins on the electronic spin tunneling in magnetic molecules such as Fe8 , focusing on the role of the spin diffusion in the nuclear spin bath. We simulate the quantum spin dynamics by numerically solving the time-dependent Schrödinger equation for the compound system (the electronic spin plus the bath spins). Our results demonstrate that the effect of the spin bath cannot always be modeled as a randomly varying magnetic field acting on the electronic spin. We consider two dynamical regimes: the spin relaxation in a constant magnetic field, and the spin tunneling in the linearly varying magnetic field passing the avoided level crossing, so-called Landau-Zener-Stückelberg (LZS) transition. For the first regime, we confirmed that the hole in the magnetization distribution has the width of the hyperfine fields distribution. For the second regime, we found that the transition probability for moderately slow sweeps deviates from the standard LZS prediction, while for the fast sweeps the deviation is negligible.

  11. High-spin nuclear target of 178m2Hf: creation and nuclear reaction studies

    International Nuclear Information System (INIS)

    Oganessyan, Yu.Ts.; Karamyan, S.A.; Gangrskij, Yu.P.

    1993-01-01

    A long-lived (31 years) four-quasiparticle isomer 178m 2 Hf(I,K π =16,16 + ) was produced in microweight quantities using the nuclear reaction 176 Yb( 4 He, 2n). Methods of precision chemistry and mass-separation for the purification of the produced Hf material have been developed. Thin targets of isomeric hafnium-178 on carbon backings were prepared and used in experiments on a neutron, proton and deuteron beams. First results on nuclear reactions on a high-spin exotic target were obtained. Experiments on electromagnetic interactions of the isomeric hafnium using methods of the collinear laser spectroscopy as well as of the nuclear orientation of hafnium implanted into a crystalline media were started. 11 refs.; 11 figs.; 2 tabs

  12. Photoinduced nuclear spin conversion of methyl groups of single molecules

    International Nuclear Information System (INIS)

    Sigl, A.

    2007-01-01

    A methyl group is an outstanding quantum system due to its special symmetry properties. The threefold rotation around one of its bond is isomorphic to the group of even permutations of the remaining protons, a property which imposes severe quantum restrictions on the system, for instance a strict correlation of rotational states with nuclear spin states. The resulting long lifetimes of the rotational tunneling states of the methyl group can be exploited for applying certain high resolution optical techniques, like hole burning or single molecule spectroscopy to optically switch the methyl group from one tunneling state to another therebye changing the nuclear spin of the protons. One goal of the thesis was to perform this switching in single methyl groups. To this end the methyl group was attached to a chromophoric system, in the present case terrylene, which is well suited for single molecule spectroscopy as well as for hole burning. Experiments were performed with the bare terrylene molecule in a hexadecane lattice which served as a reference system, with alphamethyl terrylene and betamethyl terrylene, both embedded in hexadecane, too. A single molecular probe is a highly sensitive detector for dynamic lattice instabilities. Already the bare terrylene probe showed a wealth of interesting local dynamic effects of the hexadecane lattice which could be well acounted for by the assumption of two nearly degenerate sites with rather different optical and thermal properties, all of which could be determined in a quantitative fashion. As to the methylated terrylene systems, the experiments verified that for betamethyl terrylene it is indeed possible to measure rotational tunneling events in single methyl groups. However, the spectral patterns obtained was much more complicated than expected pointing to the presence of three spectroscopically different methyl groups. In order to achieve a definite assignement, molecular mechanics simulations of the terrylene probes in the

  13. Protocol for generating multiphoton entangled states from quantum dots in the presence of nuclear spin fluctuations

    DEFF Research Database (Denmark)

    Denning, Emil Vosmar; Iles-Smith, Jake; McCutcheon, Dara P. S.

    2017-01-01

    Multiphoton entangled states are a crucial resource for many applications inquantum information science. Semiconductor quantum dots offer a promising route to generate such states by mediating photon-photon correlations via a confinedelectron spin, but dephasing caused by the host nuclear spin...... environment typically limits coherence (and hence entanglement) between photons to the spin T2* time of a few nanoseconds. We propose a protocol for the deterministic generation of multiphoton entangled states that is inherently robust against the dominating slow nuclear spin environment fluctuations, meaning...... that coherence and entanglement is instead limited only by the much longer spin T2 time of microseconds. Unlike previous protocols, the present schemeallows for the generation of very low error probability polarisation encoded three-photon GHZ states and larger entangled states, without the need for spin echo...

  14. Nuclear spin-echo detection by means of perturbed angular correlations

    International Nuclear Information System (INIS)

    Kopvillem, U.H.; Shakhmuratova, L.N.

    1973-01-01

    Recent progress in theory and experiment of NMR detection by means of registration of angular distribution of nuclear radiation (NMR/RD) has stimulated us to consider the problem of spin-echo detection by means of nuclear radiation (s-E/RD). We have considered the case when each decaying radioactive nucleus suffers two pulses of magnetic radiofrequency field in its oriented excited state. The time-differential function of radiation's angular distribution is important in the S-E/RD problem, as it displays the motion of nuclear spins in time. The obtained results show that after the first pulse the anisotropy of radiation's angular distribution strongly decreases because of the dephasing of nuclear spins. After the second pulse there exist certain moments of time, determined by the nuclear spin and geometry of experiment, when the anisotropy of radiation's angular distribution sharply increases, whereas before and after these moments the function is swept. It is possible to observe the spin-echo by means of γ-γ angular correlations and by means of registration of γ-radiation's angular distribution after the nuclear reaction, for example after the bombardment of nuclei by a pulsed particle beam. The spin-echo nuclear radiation detection gives the possibility to explore the relaxation processes by the use of a relatively small number nuclei, as it is a microscopic method. (author)

  15. Multispin-assisted optical pumping of bulk 13C nuclear spin polarization in diamond

    Science.gov (United States)

    Pagliero, Daniela; Rao, K. R. Koteswara; Zangara, Pablo R.; Dhomkar, Siddharth; Wong, Henry H.; Abril, Andrea; Aslam, Nabeel; Parker, Anna; King, Jonathan; Avalos, Claudia E.; Ajoy, Ashok; Wrachtrup, Joerg; Pines, Alexander; Meriles, Carlos A.

    2018-01-01

    One of the most remarkable properties of the nitrogen-vacancy (NV) center in diamond is that optical illumination initializes its electronic spin almost completely, a feature that can be exploited to polarize other spin species in their proximity. Here we use field-cycled nuclear magnetic resonance to investigate the mechanisms of spin-polarization transfer from NVs to 13C spins in diamond at room temperature. We focus on the dynamics near 51 mT, where a fortuitous combination of energy-matching conditions between electron and nuclear spin levels gives rise to alternative polarization transfer channels. By monitoring the 13C spin polarization as a function of the applied magnetic field, we show 13C spin pumping takes place via a multispin cross-relaxation process involving the N V- spin and the electronic and nuclear spins of neighboring P1 centers. Further, we find that this mechanism is insensitive to the crystal orientation relative to the magnetic field, although the absolute level of 13C polarization—reaching up to ˜3 % under optimal conditions—can vary substantially depending on the interplay between optical pumping efficiency, photogenerated carriers, and laser-induced heating.

  16. Probing the Nuclear Spin-Lattice Relaxation Time at the Nanoscale

    NARCIS (Netherlands)

    Wagenaar, J.C.; Den Haan, A. M J; de Voogd, J.M.; Bossoni, L; de Jong, T.A.; de Wit, M.; Bastiaans, K. M.; Thoen, D.J.; Endo, A.; Klapwijk, T.M.; Zaanen, J.; Oosterkamp, TH

    2016-01-01

    Nuclear spin-lattice relaxation times are measured on copper using magnetic-resonance force microscopy performed at temperatures down to 42 mK. The low temperature is verified by comparison with the Korringa relation. Measuring spin-lattice relaxation times locally at very low temperatures opens up

  17. Sealed magic angle spinning nuclear magnetic resonance probe and process for spectroscopy of hazardous samples

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Herman M.; Washton, Nancy M.; Mueller, Karl T.; Sears, Jr., Jesse A.; Townsend, Mark R.; Ewing, James R.

    2016-06-14

    A magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) probe is described that includes double containment enclosures configured to seal and contain hazardous samples for analysis. The probe is of a modular design that ensures containment of hazardous samples during sample analysis while preserving spin speeds for superior NMR performance and convenience of operation.

  18. Robust quantum-network memory using decoherence-protected subspaces of nuclear spins

    NARCIS (Netherlands)

    Reiserer, A.A.; Kalb, N.; Blok, M.S.; van Bemmelen, Koen J M; Taminiau, T.H.; Hanson, R.; Twitchen, Daniel J.; Markham, Matthew

    2016-01-01

    The realization of a network of quantum registers is an outstanding challenge in quantum science and technology. We experimentally investigate a network node that consists of a single nitrogen-vacancy center electronic spin hyperfine coupled to nearby nuclear spins. We demonstrate individual

  19. The determination of the in situ structure by nuclear spin contrast variation

    International Nuclear Information System (INIS)

    Stuhrmann, H.B.; Nierhaus, K.H.

    1994-01-01

    Polarized neutron scattering from polarized nuclear spins in hydrogenous substances opens a new way of contrast variation. The enhanced contrast due to proton spin polarization was used for the in situ structure determination of tRNA of the functional complex of the E.coli ribosome

  20. Bis-gadolinium complexes for solid effect and cross effect dynamic nuclear polarization

    Energy Technology Data Exchange (ETDEWEB)

    Kaushik, Monu; Corzilius, Bjoern [Goethe-Universitaet Frankfurt am Main, Institut fuer Physikalische und Theoretische Chemie, Institut fuer Biophysikalische Chemie und Biomolekulares Magnetresonanzzentrum (BMRZ) (Germany); Qi, Mian; Godt, Adelheid [Fakultaet fuer Chemie und Centrum fuer Molekulare Materialien (CM2), Universitaet Bielefeld (Germany)

    2017-04-03

    High-spin complexes act as polarizing agents (PAs) for dynamic nuclear polarization (DNP) in solid-state NMR spectroscopy and feature promising aspects towards biomolecular DNP. We present a study on bis(Gd-chelate)s which enable cross effect (CE) DNP owing to spatial confinement of two dipolar-coupled electron spins. Their well-defined Gd..Gd distances in the range of 1.2-3.4 nm allowed us to elucidate the Gd..Gd distance dependence of the DNP mechanism and NMR signal enhancement. We found that Gd..Gd distances above 2.1 nm result in solid effect DNP while distances between 1.2 and 2.1 nm enable CE for {sup 1}H, {sup 13}C, and {sup 15}N nuclear spins. We compare 263 GHz electron paramagnetic resonance (EPR) spectra with the obtained DNP field profiles and discuss possible CE matching conditions within the high-spin system and the influence of dipolar broadening of the EPR signal. Our findings foster the understanding of the CE mechanism and the design of high-spin PAs for specific applications of DNP. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Dynamic nuclear polarization of nucleic acid with endogenously bound manganese

    Energy Technology Data Exchange (ETDEWEB)

    Wenk, Patricia [University of Tübingen, Werner Siemens Imaging Center and Department of Preclinical Imaging and Radiopharmacy (Germany); Kaushik, Monu; Richter, Diane [Goethe University, Institute of Physical und Theoretical Chemistry, Institute of Biophysical Chemistry und Center for Biomolecular Magnetic Resonance (BMRZ) (Germany); Vogel, Marc; Suess, Beatrix [Technical University Darmstadt, Department of Biology (Germany); Corzilius, Björn, E-mail: corzilius@em.uni-frankfurt.de [Goethe University, Institute of Physical und Theoretical Chemistry, Institute of Biophysical Chemistry und Center for Biomolecular Magnetic Resonance (BMRZ) (Germany)

    2015-09-15

    We report the direct dynamic nuclear polarization (DNP) of {sup 13}C nuclei of a uniformly [{sup 13}C,{sup 15}N]-labeled, paramagnetic full-length hammerhead ribozyme (HHRz) complex with Mn{sup 2+} where the enhanced polarization is fully provided by the endogenously bound metal ion and no exogenous polarizing agent is added. A {sup 13}C enhancement factor of ε = 8 was observed by intra-complex DNP at 9.4 T. In contrast, “conventional” indirect and direct DNP experiments were performed using AMUPol as polarizing agent where we obtained a {sup 1}H enhancement factor of ε ≈ 250. Comparison with the diamagnetic (Mg{sup 2+}) HHRz complex shows that the presence of Mn{sup 2+} only marginally influences the (DNP-enhanced) NMR properties of the RNA. Furthermore two-dimensional correlation spectra ({sup 15}N–{sup 13}C and {sup 13}C–{sup 13}C) reveal structural inhomogeneity in the frozen, amorphous state indicating the coexistence of several conformational states. These demonstrations of intra-complex DNP using an endogenous metal ion as well as DNP-enhanced MAS NMR of RNA in general yield important information for the development of new methods in structural biology.

  2. Correlation functions of electronic and nuclear spins in a Heisenberg antiferromagnet semi-infinite medium

    International Nuclear Information System (INIS)

    Sarmento, E.F.

    1981-01-01

    Results are found for the dynamical correlation functions (or its corresponding Green's functions) among any combination including operator pairs of electronic and nuclear spins in an antiferromagnet semi-infinite medium, at low temperatures T [pt

  3. Nuclear-Spin Gyroscope Based on an Atomic Co-Magnetometer

    Science.gov (United States)

    Romalis, Michael; Komack, Tom; Ghost, Rajat

    2008-01-01

    An experimental nuclear-spin gyroscope is based on an alkali-metal/noblegas co-magnetometer, which automatically cancels the effects of magnetic fields. Whereas the performances of prior nuclear-spin gyroscopes are limited by sensitivity to magnetic fields, this gyroscope is insensitive to magnetic fields and to other external perturbations. In addition, relative to prior nuclear-spin gyroscopes, this one exhibits greater sensitivity to rotation. There is commercial interest in development of small, highly sensitive gyroscopes. The present experimental device could be a prototype for development of nuclear spin gyroscopes suitable for navigation. In comparison with fiber-optic gyroscopes, these gyroscopes would draw less power and would be smaller, lighter, more sensitive, and less costly.

  4. Electrically tunable dynamic nuclear spin polarization in GaAs quantum dots at zero magnetic field

    Science.gov (United States)

    Manca, M.; Wang, G.; Kuroda, T.; Shree, S.; Balocchi, A.; Renucci, P.; Marie, X.; Durnev, M. V.; Glazov, M. M.; Sakoda, K.; Mano, T.; Amand, T.; Urbaszek, B.

    2018-04-01

    In III-V semiconductor nano-structures, the electron and nuclear spin dynamics are strongly coupled. Both spin systems can be controlled optically. The nuclear spin dynamics are widely studied, but little is known about the initialization mechanisms. Here, we investigate optical pumping of carrier and nuclear spins in charge tunable GaAs dots grown on 111A substrates. We demonstrate dynamic nuclear polarization (DNP) at zero magnetic field in a single quantum dot for the positively charged exciton X+ state transition. We tune the DNP in both amplitude and sign by variation of an applied bias voltage Vg. Variation of ΔVg on the order of 100 mV changes the Overhauser splitting (nuclear spin polarization) from -30 μeV (-22%) to +10 μeV (+7%) although the X+ photoluminescence polarization does not change sign over this voltage range. This indicates that absorption in the structure and energy relaxation towards the X+ ground state might provide favourable scenarios for efficient electron-nuclear spin flip-flops, generating DNP during the first tens of ps of the X+ lifetime which is on the order of hundreds of ps. Voltage control of DNP is further confirmed in Hanle experiments.

  5. All-electric control of donor nuclear spin qubits in silicon

    Science.gov (United States)

    Sigillito, Anthony J.; Tyryshkin, Alexei M.; Schenkel, Thomas; Houck, Andrew A.; Lyon, Stephen A.

    2017-10-01

    The electronic and nuclear spin degrees of freedom of donor impurities in silicon form ultra-coherent two-level systems that are potentially useful for applications in quantum information and are intrinsically compatible with industrial semiconductor processing. However, because of their smaller gyromagnetic ratios, nuclear spins are more difficult to manipulate than electron spins and are often considered too slow for quantum information processing. Moreover, although alternating current magnetic fields are the most natural choice to drive spin transitions and implement quantum gates, they are difficult to confine spatially to the level of a single donor, thus requiring alternative approaches. In recent years, schemes for all-electrical control of donor spin qubits have been proposed but no experimental demonstrations have been reported yet. Here, we demonstrate a scalable all-electric method for controlling neutral 31P and 75As donor nuclear spins in silicon. Using coplanar photonic bandgap resonators, we drive Rabi oscillations on nuclear spins exclusively using electric fields by employing the donor-bound electron as a quantum transducer, much in the spirit of recent works with single-molecule magnets. The electric field confinement leads to major advantages such as low power requirements, higher qubit densities and faster gate times. Additionally, this approach makes it possible to drive nuclear spin qubits either at their resonance frequency or at its first subharmonic, thus reducing device bandwidth requirements. Double quantum transitions can be driven as well, providing easy access to the full computational manifold of our system and making it convenient to implement nuclear spin-based qudits using 75As donors.

  6. Search for electric dipole moment in 129Xe atom using active nuclear spin maser

    Directory of Open Access Journals (Sweden)

    Ichikawa Y.

    2014-03-01

    Full Text Available An experimental search for an electric dipole moment in the diamagnetic atom 129Xe is in progress through the precision measurement of spin precession frequency using an active nuclear spin maser. A 3He comagnetometer has been incorporated into the active spin maser system in order to cancel out the long-term drifts in the external magnetic field. Also, a double-cell geometry has been adopted in order to suppress the frequency shifts due to interaction with polarized Rb atoms. The first EDM measurement with the 129Xe active spin maser and the 3He comagnetometer has been conducted.

  7. Tensor quasiparticle interaction and spin-isospin sound in nuclear matter

    International Nuclear Information System (INIS)

    Haensel, P.

    1979-01-01

    The effect of the tensor components of the quasiparticle interaction in nuclear matter on the spin-isospin sound type excitations is studied. Numerical results are obtained using a simplified model of the quasiparticle interaction in nuclear matter. The quasiparticle distribution matrix corresponding to the spin-isospin sound is found to be qualitatively different from that obtained for purely central quasiparticle interaction. The macroscopic effects, however, are restricted to a small change in the phase velocity of the spin-isospin sound. (Auth.)

  8. Noise-Resilient Quantum Computing with a Nitrogen-Vacancy Center and Nuclear Spins.

    Science.gov (United States)

    Casanova, J; Wang, Z-Y; Plenio, M B

    2016-09-23

    Selective control of qubits in a quantum register for the purposes of quantum information processing represents a critical challenge for dense spin ensembles in solid-state systems. Here we present a protocol that achieves a complete set of selective electron-nuclear gates and single nuclear rotations in such an ensemble in diamond facilitated by a nearby nitrogen-vacancy (NV) center. The protocol suppresses internuclear interactions as well as unwanted coupling between the NV center and other spins of the ensemble to achieve quantum gate fidelities well exceeding 99%. Notably, our method can be applied to weakly coupled, distant spins representing a scalable procedure that exploits the exceptional properties of nuclear spins in diamond as robust quantum memories.

  9. Observation of nuclear spin waves in spin-polarized atomic hydrogen gas

    Energy Technology Data Exchange (ETDEWEB)

    Johson, B.R.; Denker, J.S.; Bigelow, N.; Levy, L.P.; Freed, J.H.; Lee, D.M.

    1984-04-23

    We have observed narrow, distinct resonances in the NMR spectrum of dilute spin-polarized atomic hydrogen gas (nroughly-equal10/sup 16/ atoms/cm/sup 3/). The dependence of the observed spectra on temperature, density, polarization, and magnetic field gradient is consistent with theoretical predictions for spin-wave excitations damped by diffusion. We have measured the parameter ..mu.., which is a measure of the importance of exchange effects in spin transport processes, and the diffusion coefficient D/sub 0/, both of which are in reasonable agreement with theory.

  10. {gamma} decay of spin-isospin states in {sup 13}N via ({sup 3}He, t{gamma}) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Ihara, F.; Akimune, H.; Daito, I.; Fujimura, H.; Fujiwara, M.; Inomata, T.; Ishibashi, K.; Yoshida, H. [Osaka Univ., Ibaraki (Japan). Research Center for Nuclear Physics; Fujita, Y.

    1998-03-01

    Spin-isospin states in {sup 13}N have been studied by means of the {sup 13}C ({sup 3}He,t) reaction at and near zero degree, at E({sup 3}He)=450 MeV. Decayed {gamma}-rays from each state were measured at backward angle in coincidence with the ejectile tritons. The branching ratio of {gamma} decay for some of spin-isospin states were determined and were compared to those from previous data. (author)

  11. Solid-state nuclear-spin quantum computer based on magnetic resonance force microscopy

    International Nuclear Information System (INIS)

    Berman, G. P.; Doolen, G. D.; Hammel, P. C.; Tsifrinovich, V. I.

    2000-01-01

    We propose a nuclear-spin quantum computer based on magnetic resonance force microscopy (MRFM). It is shown that an MRFM single-electron spin measurement provides three essential requirements for quantum computation in solids: (a) preparation of the ground state, (b) one- and two-qubit quantum logic gates, and (c) a measurement of the final state. The proposed quantum computer can operate at temperatures up to 1 K. (c) 2000 The American Physical Society

  12. The MONSTER solves nuclear structure problems at low and high spins

    International Nuclear Information System (INIS)

    Hammaren, E.; Schmid, K.W.; Gruemmer, F.

    1984-01-01

    A microscopic, particle-number and spin conserving nuclear structure model is discussed. Within a unique theory the model can describe excitation energies, moments, transitions and spectroscopic factors at low and high spins of odd-mass and doubly-even nuclei in all mass regions. With a realistic two-body Hamiltonian extracted via a G-matric description from nucleon-nucleon scattering data. The model is here applied to nuclei in the A=130 region

  13. RPA spin-isospin nuclear response in the deep inelastic region

    International Nuclear Information System (INIS)

    Alberico, W.M.; Molinari, A.; De Pace, A.; Johnson, M.B.; Ericson, M.

    1985-11-01

    The spin-isospin volume responses of a finite nucleus are evaluated in the RPA frame, utilizing a harmonic oscillator basis. Particular emphasis is given to the mixing between the longitudinal and transverse couplings, which arise at the nuclear surface. We show that it reduces somewhat the contrast between the two spin responses. We compare the calculated transverse response with the experimental one extracted from deep inelastic electron scattering

  14. Polarized photoproduction from nuclear targets with arbitrary spin and relation to deep inelastic scattering

    International Nuclear Information System (INIS)

    Hoodbhoy, P.; Massachusetts Inst. of Tech., Cambridge; Quaid-i-Azam Univ., Islamabad

    1990-01-01

    Inclusive photo-production from polarized targets of arbitrary spin is analyzed by using multipoles. The Drell-Hearn-Gerasimov sum rule, which was originally fromulated for spin-1/2 targets, is generalized to all spins and multipoles, and shown to have some interesting consequences. Measurements to test the new rules, or to derive nuclear structure information from them, could be incorporated into existing plans at electron accelerator facilities. Finally, the possible relevance of these generalized sum rules to sum rules measurable in polarized lepton-polarized target deep inelastic inclusive scattering is discussed. (orig.)

  15. Nuclear inelastic scattering study of a dinuclear iron(II) complex showing a direct spin transition

    Energy Technology Data Exchange (ETDEWEB)

    Wolny, J. A., E-mail: wolny@physik.uni-kl.de [University of Kaiserslautern, Department of Physics (Germany); Garcia, Y. [Université Catholique de Louvain, Institute of Condensed Matter and Nanosciences, Molecules, Solids and Reactivity (IMCN/MOST) (Belgium); Faus, I.; Rackwitz, S. [University of Kaiserslautern, Department of Physics (Germany); Schlage, K.; Wille, H.-C. [DESY (Germany); Schünemann, V. [University of Kaiserslautern, Department of Physics (Germany)

    2016-12-15

    The results of the nuclear inelastic scattering (NIS)/nuclear resonance vibrational spectroscopy (NRVS) for the powder spectra of dimeric [Fe {sub 2}L{sub 5}(NCS) {sub 4}] (L = N-salicylidene-4-amino-1,2,4-triazole) complex are presented. This system is spin crossover (SCO) material tagged with a fluorophore that can sense or “feel” the SCO signal ripping through the molecular network and thereby providing an opportunity to register the SCO transition. The spectra have been measured for the low-spin and high-spin phases of the complex. The high-spin isomer reveals one broad band above 200 cm {sup −1}, while the low-spin one displays two intense bands in the range from 390 to 430 cm {sup −1}, accompanied by a number of weaker bands below this area and one at ca. 490 cm {sup −1}. A normal coordinate analysis based on density functional calculations yields the assignment of the spin marker bands to particular molecular modes. In addition the vibrational contribution to the spin transition has been estimated.

  16. Hydrochemistry and isotopic composition (δ{sup 13}C, δ{sup 15}N) in six dunes lagoons in the National Park of Lencois Maranhenses, Maranhao, Brazil; Hidroquimica e composicao isotopica (δ13C, δ15N) em seis lagoas de dunas no Parque Nacional dos Lencois Maranhenses, Maranhao, Brasil

    Energy Technology Data Exchange (ETDEWEB)

    Ramos Junior, Jayme Teixeira; Suzuki, Marina Satika; Meirelles, Brunele de Araujo; Rangel, Thiago Pessanha; Oliveira, Braulio Cherene Vaz de, E-mail: jaymetr@gmail.com, E-mail: marina@uenf.com, E-mail: brunelemeirelles@hotmail.com, E-mail: thiprangel@yahoo.com.br, E-mail: brauliocherene@hotmail.com [Universidade Estadual do Norte Fluminense (UENF), Campos dos Goytacazes, RJ (Brazil). Centro de Biociencias e Biotecnologia. Lab. de Ciencias Ambientais

    2015-07-01

    This study aims to evaluate the physicochemical parameters, nutrients and isotopic composition (δ{sup 13}C, δ{sup 15}N) of dissolved organic matter and MPS in six lakes located in the Maranhenses National Park, Maranhao State, under varying degrees of anthropic impact and distance from the sea. The physical and chemical parameters were measured in the field with portable devices; for total alkalinity, nutrients and photosynthetic pigments, samples were collected and analysed in the laboratory; the isotopic composition of carbon and nitrogen was determined from the particulate material retained on the filter and in the extract generated in the PPL filtration resin column. The limnological variables were assessed in both the dry and rainy seasons. The high rainfall caused a dilution effect for most of the elements studied in the rainy season. The elemental composition of the particulate fraction was 58% lower than the fraction dissolved. The carbon isotopic composition was lighter in the rainy season as a result of dilution and loading of allochthonous impoverished organic matter. (author)

  17. Optimal control of the inversion of two spins in Nuclear Magnetic Resonance

    International Nuclear Information System (INIS)

    Assémat, E.; Attar, L.; Penouilh, M.-J.; Picquet, M.; Tabard, A.; Zhang, Y.; Glaser, S.J.; Sugny, D.

    2012-01-01

    Highlights: ► We investigate the simultaneous optimal control of the inversion of two spins. ► We examine the energy minimum solution. ► We compare this solution with the time-minimum one. ► Experimental implementation using techniques of Nuclear Magnetic Resonance. -- Abstract: We investigate the optimal control of the inversion of two spin 1/2 particles in Nuclear Magnetic Resonance. The two spins, which differ by their resonance offset, are controlled by the same radio frequency magnetic field. Using the Pontryagin Maximum Principle, we compute the optimal control sequence which allows to reach the target state in a given time, while minimizing the energy of the magnetic field. A comparison with the time-optimal solution for bounded control amplitude realizing the same control in the same time is made. An experimental illustration is done using techniques of Nuclear Magnetic Resonance.

  18. Nuclear-Spin-Induced Circular Dichroism in the Infrared Region for Liquids.

    Science.gov (United States)

    Chen, Fang; Yao, Guo-hua; Zhang, Zhen-lin; Liu, Fan-chen; Chen, Dong-ming

    2015-06-22

    Recently, the nuclear-spin-induced optical rotation (NSOR) and circular dichroism (NSCD) for liquids were discovered and extensively studied and developed. However, so far, nuclear-spin-induced magnetic circular dichroism in the IR region (IR-NSCD) has not been explored, even though all polyatomic molecules exhibit extensive IR spectra. Herein, IR-NSCD is proposed and discussed theoretically. The results indicate that in favorable conditions the IR-NSCD angle may be much larger than the NSOR angle in the UV/Vis region due to a vibrational resonance effect and can be measurable by using the NSOR experiment scheme. IR-NSCD can automatically combine and give NMR spectra and IRCD spectra of the nuclear spin prepolarized samples in liquids, which, in principle, could be developed to become a unique, novel analytical tool. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Nuclear magnetic resonance of D(-)-{alpha}-amino-benzyl penicillin; Ressonancia magnetica nuclear da D(-)-{alpha}-amino-benzil penicilina

    Energy Technology Data Exchange (ETDEWEB)

    Aguiar, Monica R.M.P.; Gemal, Andre L.; San Gil, Rosane A.S. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Quimica; Menezes, Sonia M.C. [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    1995-12-31

    The development of new drugs from penicillins has induced the study of this substances by nuclear magnetic resonance. Several samples of D(-)-{alpha}-amino-benzyl penicillin were analysed using {sup 13} C NMR techniques in aqueous solution and solid state. Spectral data of this compounds were shown and the results were presented and analysed 7 figs., 4 tabs.

  20. Rapid and novel discrimination and quantification of oleanolic and ursolic acids in complex plant extracts using two-dimensional nuclear magnetic resonance spectroscopy-Comparison with HPLC methods

    Energy Technology Data Exchange (ETDEWEB)

    Kontogianni, Vassiliki G. [Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, Ioannina GR-45110 (Greece); Exarchou, Vassiliki [NMR Center, University of Ioannina, Ioannina GR-45110 (Greece); Troganis, Anastassios [Department of Biological Applications and Technology, University of Ioannina, Ioannina GR-45110 (Greece); Gerothanassis, Ioannis P. [Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, Ioannina GR-45110 (Greece)], E-mail: igeroth@cc.uoi.gr

    2009-03-09

    A novel strategy for NMR analysis of mixtures of oleanolic and ursolic acids that occur in natural products is described. These important phytochemicals have similar structure and their discrimination and quantification is rather difficult. We report herein the combined use of proton-carbon heteronuclear single-quantum coherence ({sup 1}H-{sup 13}C HSQC) and proton-carbon heteronuclear multiple-bond correlation ({sup 1}H-{sup 13}C HMBC) NMR spectroscopy, in the identification and quantitation of oleanolic acid (OA) and ursolic acid (UA)in plant extracts of the Lamiaceae and Oleaceae family. The combination of {sup 1}H-{sup 13}C HSQC and {sup 1}H-{sup 13}C HMBC techniques allows the connection of the proton and carbon-13 spins across the molecular backbone resulting in the identification and, thus, discrimination of oleanolic and ursolic acid without resorting to physicochemical separation of the components. The quantitative results provided by 2D {sup 1}H-{sup 13}C HSQC NMR data were obtained within a short period of time ({approx}14 min) and are in excellent agreement with those obtained by HPLC, which support the efficiency of the suggested methodology.

  1. Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

    DEFF Research Database (Denmark)

    Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.

    1998-01-01

    We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled-cluster sing...

  2. On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

    DEFF Research Database (Denmark)

    Faber, Rasmus; Sauer, Stephan P. A.

    2018-01-01

    The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained us...

  3. Nuclear orientation of radioactive nuclei the spin program

    Czech Academy of Sciences Publication Activity Database

    Dupák, Jan; Finger, M.; Finger jr., M.; Janata, A.; Kracíková, T. I.; Lebedev, N. A.; Nováková, D.; Ota, J.; Rotter, M.; Slunečka, M.; Slunečková, V.; Virus, M.; Yushkevich, Y. V.

    2000-01-01

    Roč. 50, Supp. S1 (2000), s. 253-268 ISSN 0011-4626. [Symmetry and Spin. Praha, 05.09.1999-12.09.1999] R&D Projects: GA AV ČR KSK1067601 Institutional research plan: CEZ:AV0Z2065902 Subject RIV: JR - Other Machinery Impact factor: 0.298, year: 2000

  4. Nuclear and hadronic reaction mechanisms producing spin asymmetry

    Indian Academy of Sciences (India)

    naka

    This may be possible in the framework of the QRC model by considering an annihilation and creation mechanism, as shown in figure 2, where the initial valence u quark, which carries the proton's spin information, annihilates with u in the target proton and then ss pair is created through the gluon propagation, and the s ...

  5. Chip-Scale Combinatorial Atomic Navigator (C-SCAN) Low Drift Nuclear Spin Gyroscope

    Science.gov (United States)

    2018-01-01

    AFRL-RY-WP-TR-2017-0199 CHIP-SCALE COMBINATORIAL ATOMIC NAVIGATOR (C-SCAN) Low Drift Nuclear Spin Gyroscope Michael Romalis...January 2018 Final 3 May 2013 – 31 July 2017 4. TITLE AND SUBTITLE CHIP-SCALE COMBINATORIAL ATOMIC NAVIGATOR (C-SCAN) Low Drift Nuclear Spin Gyroscope...gyroscope probed by ⁸⁷Rb atoms . We batch fabricated gyroscope cells with a yield exceeding 85% and achieved ¹²⁹Xe T₂ time of 300 sec and 3He T2 time of

  6. Nuclear spin-orbit interaction from chiral pion-nucleon dynamics

    International Nuclear Information System (INIS)

    Kaiser, N.

    2002-01-01

    Using the two-loop approximation of chiral perturbation theory, we calculate the momentum and density dependent nuclear spin-orbit strength U ls (p,k f ). This quantity is derived from the spin-dependent part of the interaction energy Σ spin =((i)/(2))σ→·(q→xp→)U ls (p,k f ) of a nucleon scattering off weakly inhomogeneous isospin symmetric nuclear matter. We find that iterated 1π-exchange generates at saturation density, k f0 =272.7 MeV, a spin-orbit strength at p=0 of U ls (0,k f0 )≅35 MeV fm 2 , in perfect agreement with the empirical value used in the shell model. This novel spin-orbit strength is neither of relativistic nor of short range origin. The potential V ls underlying the empirical spin-orbit strength Ubar ls =V ls r ls 2 becomes a rather weak one, V ls ≅17 MeV, after the identification r ls =m π -1 as suggested by the present calculation. We observe, however, a strong p-dependence of U ls (p,k f0 ) leading even to a sign change above p=200 MeV. This and other features of the emerging spin-orbit Hamiltonian which go beyond the usual shell model parametrization leave questions about the ultimate relevance of the spin-orbit interaction generated by 2π-exchange for a finite nucleus. We also calculate the complex-valued isovector single-particle potential U I (p,k f )+iW I (p,k f ) in isospin asymmetric nuclear matter proportional to τ 3 (N-Z)/(N+Z). For the real part we find reasonable agreement with empirical values and the imaginary part vanishes at the Fermi-surface p=k f

  7. Canadian experience with spin-offs from nuclear technology

    International Nuclear Information System (INIS)

    Lennox, C.G.; Garvey, P.M.

    1989-01-01

    The innovation process introduced into AECL's research laboratories is described, with its achievements in increased commercial and spin-off businesses. In particular, the role of the champion or entrepreneur is emphasized in the manner in which he/she interacts within a dedicated team to pursue each opportunity. Examples are provided of several commercial and business development opportunities resulting from the background research programs

  8. Thermal mixing in multiple-pulse nuclear quadrupole resonance spin-locking

    International Nuclear Information System (INIS)

    Beltjukov, P A; Kibrik, G E; Furman, G B; Goren, S D

    2007-01-01

    We report on an experimental and theoretical nuclear quadrupole resonance (NQR) multiple-pulse spin-locking study of the thermal mixing process in solids containing nuclei of two different sorts, I>1/2 and S = 1/2, coupled by dipole-dipole interactions and influenced by an external magnetic field. Two coupled equations for the inverse spin temperatures of both the spin systems describing the mutual spin-lattice relaxation and the thermal mixing were obtained using the method of the nonequilibrium state operator. It is shown that the relaxation process is realized with non-exponential time dependence described by a sum of two exponents. The calculated relaxation time versus the multiple-pulse field parameters agrees well with the obtained experimental data in 1,4-dichloro-2-nitrobenzene. The calculated magnetization relaxation time versus the strength of the applied magnetic field agrees well with the obtained experimental data

  9. Towards the improvement of spin-isospin properties in nuclear energy density functionals

    International Nuclear Information System (INIS)

    Roca-Maza, X.; Colò, G.; Liang, H. Z.; Sagawa, H.; Meng, J.; Ring, P.; Zhao, P. W.

    2016-01-01

    We address the problem of improving existing nuclear Energy Density Functionals (EDFs) in the spin-isospin channel. For that, we propose two different ways. The first one is to carefully take into account in the fitting protocol some of the key ground state properties for an accurate description of the most studied spin-isospin resonances: the Gamow-Teller Resonance (GTR) [1]. The second consists in providing a strategy to build local covariant EDF keeping the main features from their non-local counterparts [2]. The RHF model based on a Lagrangian where heavy mesons carry the nuclear effective interaction have been shown to be successful in the description of spin-isospin resonances [3]. (paper)

  10. Shell structure at high spin and the influence on nuclear shapes

    International Nuclear Information System (INIS)

    Khoo, T.L.; Chowdhury, P.; Ahmad, I.

    1982-01-01

    Nuclear structure at high spin is influenced by a combination of liquid-drop and shell-structure effects. For N 90. The competition between oblate and prolate driving effects leads to a prolate-to-oblate shape transition in 154 Dy 88 . The role of rotation-aligned configurations in the shape change is discussed

  11. Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Jacobsen, H.J.; Skibsted, J.; Kristensen, Martin

    2001-01-01

    Magic-angle spinning nuclear magnetic resonance spectra of 31P and 29Si have been achieved for a thin silica film doped with only 1.8% 31P and deposited by plasma enhanced chemical vapor deposition on a pure silicon wafer. The observation of a symmetric 31P chemical shift tensor is consistent...

  12. Nuclear spin dependence of the reaction of H(3)+ with H2. I. Kinetics and modeling.

    Science.gov (United States)

    Crabtree, Kyle N; Tom, Brian A; McCall, Benjamin J

    2011-05-21

    The chemical reaction H(3)(+) + H(2) → H(2) + H(3)(+) is the simplest bimolecular reaction involving a polyatomic, yet is complex enough that exact quantum mechanical calculations to adequately model its dynamics are still unfeasible. In particular, the branching fractions for the "identity," "proton hop," and "hydrogen exchange" reaction pathways are unknown, and to date, experimental measurements of this process have been limited. In this work, the nuclear-spin-dependent steady-state kinetics of the H(3)(+) + H(2) reaction is examined in detail, and employed to generate models of the ortho:para ratio of H(3)(+) formed in plasmas of varying ortho:para H(2) ratios. One model is based entirely on nuclear spin statistics, and is appropriate for temperatures high enough to populate a large number of H(3)(+) rotational states. Efforts are made to include the influence of three-body collisions in this model by deriving nuclear spin product branching fractions for the H(5)(+) + H(2) reaction. Another model, based on rate coefficients calculated using a microcanonical statistical approach, is appropriate for lower-temperature plasmas in which energetic considerations begin to compete with the nuclear spin branching fractions. These models serve as a theoretical framework for interpreting the results of laboratory studies on the reaction of H(3)(+) with H(2). © 2011 American Institute of Physics.

  13. Effects of tensor forces in nuclear spin-orbit splittings from ab initio calculations

    Science.gov (United States)

    Shen, Shihang; Liang, Haozhao; Meng, Jie; Ring, Peter; Zhang, Shuangquan

    2018-03-01

    A systematic and specific pattern due to the effects of the tensor forces is found in the evolution of spin-orbit splittings in neutron drops. This result is obtained from relativistic Brueckner-Hartree-Fock theory using the bare nucleon-nucleon interaction. It forms an important guide for future microscopic derivations of relativistic and nonrelativistic nuclear energy density functionals.

  14. Isotopic and spin-nuclear effects in solid hydrogens (Review Article)

    Science.gov (United States)

    Freiman, Yuri A.; Crespo, Yanier

    2017-12-01

    The multiple isotopic family of hydrogens (H2, HD, D2, HT, DT, T2) due to large differences in the de Boer quantum parameter and inertia moments displays a diversity of pronounced quantum isotopic solid-state effects. The homonuclear members of this family (H2, D2, T2) due to the permutation symmetry are subjects of the constraints of quantum mechanics which link the possible rotational states of these molecules to their total nuclear spin giving rise to the existence of two spin-nuclear modifications, ortho- and parahydrogens, possessing substantially different properties. Consequently, hydrogen solids present an unique opportunity for studying both isotope and spin-nuclear effects. The rotational spectra of heteronuclear hydrogens (HD, HT, DT) are free from limitations imposed by the permutation symmetry. As a result, the ground state of these species in solid state is virtually degenerate. The most dramatic consequence of this fact is an effect similar to the Pomeranchuk effect in 3He which in the case of the solid heteronuclear hydrogens manifests itself as the reentrant broken symmetry phase transitions. In this review article we discuss thermodynamic and kinetic effects pertaining to different isotopic and spin-nuclear species, as well as problems that still remain to be solved.

  15. Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin-spin coupling tensors in the matrix Dirac-Kohn-Sham framework

    International Nuclear Information System (INIS)

    Repisky, Michal; Komorovsky, Stanislav; Malkina, Olga L.; Malkin, Vladimir G.

    2009-01-01

    The relativistic four-component density functional approach based on the use of restricted magnetically balanced basis (mDKS-RMB), applied recently for calculations of NMR shielding, was extended for calculations of NMR indirect nuclear spin-spin coupling constants. The unperturbed equations are solved with the use of a restricted kinetically balanced basis set for the small component while to solve the second-order coupled perturbed DKS equations a restricted magnetically balanced basis set for the small component was applied. Benchmark relativistic calculations have been carried out for the X-H and H-H spin-spin coupling constants in the XH 4 series (X = C, Si, Ge, Sn and Pb). The method provides an attractive alternative to existing approximate two-component methods with transformed Hamiltonians for relativistic calculations of spin-spin coupling constants of heavy-atom systems. In particular, no picture-change effects arise in our method for property calculations

  16. Nuclear structure of 94,95Mo at high spins

    International Nuclear Information System (INIS)

    Kharraja, B.; Ghugre, S.S.; Garg, U.; Janssens, R.V.; Carpenter, M.P.; Crowell, B.; Khoo, T.L.; Lauritsen, T.; Nisius, D.; Reviol, W.; Mueller, W.F.; Riedinger, L.L.; Kaczarowski, R.

    1998-01-01

    The high-spin level structures of 94,95 Mo (N=52,53) have been investigated via the 65 Cu( 36 S, αp2n) 94 Mo and 65 Cu( 36 S, αpn) 95 Mo reactions at 142 MeV. The level schemes have been extended up to spin J∼19ℎ and excitation energies E x ∼12 MeV. Spherical shell-model calculations have been performed and compared with the experimental energy levels. The level structure of 94 Mo exhibits a single-particle nature and the higher-angular-momentum states are dominated by the excitation of a g 9/2 neutron across the N=50 shell gap. The level sequences observed in 95 Mo have been interpreted on the basis of the spherical shell model and weak coupling of a d 5/2 or a g 7/2 neutron to the 94 Mo core. copyright 1998 The American Physical Society

  17. Magnetic pseudo-fields in a rotating electron-nuclear spin system

    Science.gov (United States)

    Wood, A. A.; Lilette, E.; Fein, Y. Y.; Perunicic, V. S.; Hollenberg, L. C. L.; Scholten, R. E.; Martin, A. M.

    2017-11-01

    Analogous to the precession of a Foucault pendulum observed on the rotating Earth, a precessing spin observed in a rotating frame of reference appears frequency-shifted. This can be understood as arising from a magnetic pseudo-field in the rotating frame that nevertheless has physically significant consequences, such as the Barnett effect. To detect these pseudo-fields, a rotating-frame sensor is required. Here we use quantum sensors, nitrogen-vacancy (NV) centres, in a rapidly rotating diamond to detect pseudo-fields in the rotating frame. Whereas conventional magnetic fields induce precession at a rate proportional to the gyromagnetic ratio, rotation shifts the precession of all spins equally, and thus primarily affect 13C nuclear spins in the sample. We are thus able to explore these effects via quantum sensing in a rapidly rotating frame, and define a new approach to quantum control using rotationally induced nuclear spin-selective magnetic fields. This work provides an integral step towards realizing precision rotation sensing and quantum spin gyroscopes.

  18. Determination of nuclear spins of short-lived isotopes by laser induced fluorescence

    International Nuclear Information System (INIS)

    Buchinger, F.; Dabkiewicz, P.; Kremmling, H.; Kuehl, T.; Mueller, A.C.; Schuessler, H.A.

    1980-01-01

    The spins of several nuclear ground and isomeric states have been measured for a number of mercury isotopes. The fluorescent light from the 6s6p 3 P 1 state is observed at 2537 Angstroem after excitation with the frequency doubled output of a pulsed dye laser. Four different laser induced fluorescence techniques were tested for their applicability: double resonance, Hanle effect, time delayed integral Hanle beats, and time resolved quantum beats. The sensitivity and selectivity of these models are compared with emphasis on the determination of spins of nuclei far from beta-stability, where short half lives and low production yields restrict the number of available atoms. The experiments were carried out on-line with the ISOLDE isotope separator at CERN at densities as low as 10 6 atoms/cm 3 . Results for the very neutron deficient high spin mercury isomers with half lives of several seconds, but also for the ground states of the abundant low spin stable mercury isotopes, are given as examples. The test measurements determined the nuclear spins of the odd sup(185m-191m)Hg isomers to be I = 13/2. (orig.)

  19. Advances and applications of dynamic-angle spinning nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Baltisberger, Jay Harvey [Univ. of California, Berkeley, CA (United States)

    1993-06-01

    This dissertation describes nuclear magnetic resonance experiments and theory which have been developed to study quadrupolar nuclei (those nuclei with spin greater than one-half) in the solid state. Primarily, the technique of dynamic-angle spinning (DAS) is extensively reviewed and expanded upon in this thesis. Specifically, the improvement in both the resolution (two-dimensional pure-absorptive phase methods and DAS angle choice) and sensitivity (pulse-sequence development), along with effective spinning speed enhancement (again through choice of DAS conditions or alternative multiple pulse schemes) of dynamic-angle spinning experiment was realized with both theory and experimental examples. The application of DAS to new types of nuclei (specifically the {sup 87}Rb and {sup 85}Rb nuclear spins) and materials (specifically amorphous solids) has also greatly expanded the possibilities of the use of DAS to study a larger range of materials. This dissertation is meant to demonstrate both recent advances and applications of the DAS technique, and by no means represents a comprehensive study of any particular chemical problem.

  20. Advances and applications of dynamic-angle spinning nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Baltisberger, J.H.

    1993-06-01

    This dissertation describes nuclear magnetic resonance experiments and theory which have been developed to study quadrupolar nuclei (those nuclei with spin greater than one-half) in the solid state. Primarily, the technique of dynamic-angle spinning (DAS) is extensively reviewed and expanded upon in this thesis. Specifically, the improvement in both the resolution (two-dimensional pure-absorptive phase methods and DAS angle choice) and sensitivity (pulse-sequence development), along with effective spinning speed enhancement (again through choice of DAS conditions or alternative multiple pulse schemes) of dynamic-angle spinning experiment was realized with both theory and experimental examples. The application of DAS to new types of nuclei (specifically the 87 Rb and 85 Rb nuclear spins) and materials (specifically amorphous solids) has also greatly expanded the possibilities of the use of DAS to study a larger range of materials. This dissertation is meant to demonstrate both recent advances and applications of the DAS technique, and by no means represents a comprehensive study of any particular chemical problem

  1. Parametric excitation of nuclear spin waves in MnCO3 antiferromagnetic crystals

    International Nuclear Information System (INIS)

    Govorkov, S.A.; Tulin, V.A.

    1976-01-01

    Parametric excitation of nuclear spin waves in the antiferromagnetic crystal MnCO 3 is investigated at 1080 MHz by the parallel pumping technique. Two threshold processes are observed in the experiments. One refers to spin wave excitation in a nuclear magnetic system and the other to excitation of magneto-elastic waves. The post-threshold sample susceptibility in such processes is studied. After the second threshold a very pronounced overheating of the nuclear magnetic system of the sample with respect to the lattice is observed. The nature of these overheating phenomena shows that two magneto-elastic oscillation branches are excited in the second threshold process. The dependence of the threshold field on wave vector is more complicated in a small magnetic field due to magnetization processes in the sample. In a large magnetic field complications are evoked by the magneto-elastic coupling

  2. Nuclear spin optical rotation and Faraday effect in gaseous and liquid water.

    Science.gov (United States)

    Pennanen, Teemu S; Ikäläinen, Suvi; Lantto, Perttu; Vaara, Juha

    2012-05-14

    Nuclear spin optical rotation (NSOR) of linearly polarized light, due to the nuclear spins through the Faraday effect, provides a novel probe of molecular structure and could pave the way to optical detection of nuclear magnetization. We determine computationally the effects of the liquid medium on NSOR and the Verdet constant of Faraday rotation (arising from an external magnetic field) in water, using the recently developed theory applied on a first-principles molecular dynamics trajectory. The gas-to-liquid shifts of the relevant antisymmetric polarizability and, hence, NSOR magnitude are found to be -14% and -29% for (1)H and (17)O nuclei, respectively. On the other hand, medium effects both enhance the local electric field in water and, via bulk magnetization, the local magnetic field. Together these two effects partially cancel the solvation influence on the single-molecular property. We find a good agreement for the hydrogen NSOR with a recent pioneering experiment on H(2)O(l).

  3. Spin Coherence in Semiconductor Nanostructures

    National Research Council Canada - National Science Library

    Flatte, Michael E

    2006-01-01

    ... dots, tuning of spin coherence times for electron spin, tuning of dipolar magnetic fields for nuclear spin, spontaneous spin polarization generation and new designs for spin-based teleportation and spin transistors...

  4. Nuclear structure at high spin using multidetector gamma array and ...

    Indian Academy of Sciences (India)

    2014-04-05

    Apr 5, 2014 ... A multidetector gamma array (GDA), for studying nuclear structure was built with ancillary devices namely gamma multiplicity filter and charged particle detector array. This facility was designed for in-beam gamma spectroscopy measurements in fusion evaporation reactions at Inter-University Accelerator ...

  5. Nuclear structure at high spin using multidetector gamma array and ...

    Indian Academy of Sciences (India)

    2014-04-05

    Apr 5, 2014 ... erator Centre, New Delhi. The rolled 209Bi target thickness was 3.5 mg/cm2. Beam was pulsed at 4 MHz to measure lifetimes of nuclear isomers by electronics method. GDA used in the present work has improved the quality of coincidence spectra, enabling us to identify and place several weak transitions ...

  6. Dynamic nuclear polarization of membrane proteins: covalently bound spin-labels at protein–protein interfaces

    International Nuclear Information System (INIS)

    Wylie, Benjamin J.; Dzikovski, Boris G.; Pawsey, Shane; Caporini, Marc; Rosay, Melanie; Freed, Jack H.; McDermott, Ann E.

    2015-01-01

    We demonstrate that dynamic nuclear polarization of membrane proteins in lipid bilayers may be achieved using a novel polarizing agent: pairs of spin labels covalently bound to a protein of interest interacting at an intermolecular interaction surface. For gramicidin A, nitroxide tags attached to the N-terminal intermolecular interface region become proximal only when bimolecular channels forms in the membrane. We obtained signal enhancements of sixfold for the dimeric protein. The enhancement effect was comparable to that of a doubly tagged sample of gramicidin C, with intramolecular spin pairs. This approach could be a powerful and selective means for signal enhancement in membrane proteins, and for recognizing intermolecular interfaces

  7. Contribution to the study of thermal mixing between nuclear spin systems; Contribution a l'etude du melange thermique entre systemes de spins nucleaires

    Energy Technology Data Exchange (ETDEWEB)

    Goldmann, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-02-15

    This work describes methods of dynamic nuclear polarization in solids based on the thermal mixing between nuclear spin systems. The description of the thermal mixing processes involves most of the fundamental aspects of the spin temperature theory. The experiments, conducted with paradichlorobenzene and para-dibromobenzene, yield a detailed confirmation of the theoretical predictions. (author) [French] Ce travail decrit des methodes de polarisation dynamique nucleaire dans les solides basees sur le melange thermique entre systemes de spins nucleaires. La description des processus de melange thermique met en jeu la plupart des aspects fondamentaux de la theorie de la temperature de spin. Les experiences, realisees avec du paradichlorobenzene et du paradibromobenzene, apportent une confirmation detaillee des previsions theoriques. (auteur)

  8. 55Mn nuclear spin relaxation and lifetime of magnons in MnF2 near the spin-flop transition

    International Nuclear Information System (INIS)

    Boucher, J.P.; King, A.R.

    1977-01-01

    A divergence in the nuclear relaxation rate (T 1 -1 ) of 55 Mn is observed in MnF 2 when the magnetic field approaches the field of the spin-flop transition (H=92.94Oe). The field dependence of T 1 -1 at 4.2 and 2K was studied together with its temperature dependence at 92.4 and 85 kOe. Near the transition, T 1 -1 is governed, below 8K, by the processes induced by the dipolar coupling and, above 8K, by those induced by exchange interactions. On the contrary, in weaker fields (H=85Oe), the only exchange induced processes are important [fr

  9. Spin assignments of nuclear levels above the neutron binding energy in $^{88}$Sr

    CERN Multimedia

    Neutron resonances reveal nuclear levels in the highly excited region of the nucleus around the neutron binding energy. Nuclear level density models are therefore usually calibrated to the number of observed levels in neutron-induced reactions. The gamma-ray cascade from the decay of the highly excited compound nucleus state to the ground state show dierences dependent on the initial spin. This results in a dierence in the multiplicity distribution which can be exploited. We propose to use the 4${\\pi}$ total absorption calorimeter (TAC) at the n TOF facility to determine the spins of resonances formed by neutrons incident on a metallic $^{87}$Sr sample by measuring the gamma multiplicity distributions for the resolved resonances. In addition we would like to use the available enriched $^{87}$Sr target for cross section measurements with the C$\\scriptscriptstyle{6}$D$\\scriptscriptstyle{6}$ detector setup.

  10. Effect of deformation and orientation on spin orbit density dependent nuclear potential

    Science.gov (United States)

    Mittal, Rajni; Kumar, Raj; Sharma, Manoj K.

    2017-11-01

    Role of deformation and orientation is investigated on spin-orbit density dependent part VJ of nuclear potential (VN=VP+VJ) obtained within semi-classical Thomas Fermi approach of Skyrme energy density formalism. Calculations are performed for 24-54Si+30Si reactions, with spherical target 30Si and projectiles 24-54Si having prolate and oblate shapes. The quadrupole deformation β2 is varying within range of 0.023 ≤ β2 ≤0.531 for prolate and -0.242 ≤ β2 ≤ -0.592 for oblate projectiles. The spin-orbit dependent potential gets influenced significantly with inclusion of deformation and orientation effect. The spin-orbit barrier and position gets significantly influenced by both the sign and magnitude of β2-deformation. Si-nuclei with β220. The possible role of spin-orbit potential on barrier characteristics such as barrier height, barrier curvature and on the fusion pocket is also probed. In reference to prolate and oblate systems, the angular dependence of spin-orbit potential is further studied on fusion cross-sections.

  11. Effects of nuclear spins on the transport properties of the edge of two-dimensional topological insulators

    Science.gov (United States)

    Hsu, Chen-Hsuan; Stano, Peter; Klinovaja, Jelena; Loss, Daniel

    2018-03-01

    The electrons in the edge channels of two-dimensional topological insulators can be described as a helical Tomonaga-Luttinger liquid. They couple to nuclear spins embedded in the host materials through the hyperfine interaction, and are therefore subject to elastic spin-flip backscattering on the nuclear spins. We investigate the nuclear-spin-induced edge resistance due to such backscattering by performing a renormalization-group analysis. Remarkably, the effect of this backscattering mechanism is stronger in a helical edge than in nonhelical channels, which are believed to be present in the trivial regime of InAs/GaSb quantum wells. In a system with sufficiently long edges, the disordered nuclear spins lead to an edge resistance which grows exponentially upon lowering the temperature. On the other hand, electrons from the edge states mediate an anisotropic Ruderman-Kittel-Kasuya-Yosida nuclear spin-spin interaction, which induces a spiral nuclear spin order below the transition temperature. We discuss the features of the spiral order, as well as its experimental signatures. In the ordered phase, we identify two backscattering mechanisms, due to charge impurities and magnons. The backscattering on charge impurities is allowed by the internally generated magnetic field, and leads to an Anderson-type localization of the edge states. The magnon-mediated backscattering results in a power-law resistance, which is suppressed at zero temperature. Overall, we find that in a sufficiently long edge the nuclear spins, whether ordered or not, suppress the edge conductance to zero as the temperature approaches zero.

  12. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

    Energy Technology Data Exchange (ETDEWEB)

    Obaid, Rana [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria); Faculty of Pharmacy, Al-Quds University, Abu Dis, Palestine (Country Unknown); Kinzel, Daniel; Oppel, Markus, E-mail: markus.oppel@univie.ac.at; González, Leticia [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria)

    2014-10-28

    Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

  13. Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals.

    Science.gov (United States)

    Xiao, Yunlong; Zhang, Yong; Liu, Wenjian

    2014-10-28

    Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same "direct relativistic mapping" between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].

  14. Corrections to nucleon spin structure asymmetries measured on nuclear polarized targets

    International Nuclear Information System (INIS)

    Rondon, O.A.

    1999-01-01

    The nucleon spin structure functions have been extracted from measurements of asymmetries in deep inelastic scattering of polarized leptons on polarized nuclei. The polarized nuclei present in practical targets: H, 2 H, 3 He, 14 N, 15 N, 6 Li, and 7 Li, are, with the exception of hydrogen, systems of bound nucleons, some of which can attain significant degrees of alignment. All the aligned nucleons contribute to the asymmetries. The contributions of each nuclear species to the asymmetry have to be carefully determined, before a reliable value for the net nucleon asymmetry is obtained. For this purpose, the spin component of the nuclear angular momentum for every nuclear state and the probability of each state have to be known with sufficient accuracy. In this paper I discuss the basic corrections used to estimate the contributions of the different nuclei, with emphasis on the A=6 and 7 Li isotopes present in the Li 2 H polarized target used during SLAC Experiment 155 to study the deuteron spin structure. copyright 1999 The American Physical Society

  15. Nuclear spin singlet states as a contrast mechanism for NMR spectroscopy.

    Science.gov (United States)

    Devience, Stephen J; Walsworth, Ronald L; Rosen, Matthew S

    2013-10-01

    Nuclear magnetic resonance (NMR) spectra of complex chemical mixtures often contain unresolved or hidden spectral components, especially when strong background signals overlap weaker peaks. In this article we demonstrate a quantum filter utilizing nuclear spin singlet states, which allows undesired NMR spectral background to be removed and target spectral peaks to be uncovered. The quantum filter is implemented by creating a nuclear spin singlet state with spin quantum numbers j = 0, mz  = 0 in a target molecule, applying a continuous RF field to both preserve the singlet state and saturate the magnetization of undesired molecules and then mapping the target molecule singlet state back into an NMR observable state so that its spectrum can be read out unambiguously. The preparation of the target singlet state can be carefully controlled with pulse sequence parameters, so that spectral contrast can be achieved between molecules with very similar structures. We name this NMR contrast mechanism 'Suppression of Undesired Chemicals using Contrast-Enhancing Singlet States' (SUCCESS) and we demonstrate it in vitro for three target molecules relevant to neuroscience: aspartate, threonine and glutamine. Copyright © 2013 John Wiley & Sons, Ltd.

  16. Quantum cognition: The possibility of processing with nuclear spins in the brain

    Science.gov (United States)

    Fisher, Matthew P. A.

    2015-11-01

    The possibility that quantum processing with nuclear spins might be operative in the brain is explored. Phosphorus is identified as the unique biological element with a nuclear spin that can serve as a qubit for such putative quantum processing-a neural qubit-while the phosphate ion is the only possible qubit-transporter. We identify the "Posner molecule", Ca9(PO4)6, as the unique molecule that can protect the neural qubits on very long times and thereby serve as a (working) quantum-memory. A central requirement for quantum-processing is quantum entanglement. It is argued that the enzyme catalyzed chemical reaction which breaks a pyrophosphate ion into two phosphate ions can quantum entangle pairs of qubits. Posner molecules, formed by binding such phosphate pairs with extracellular calcium ions, will inherit the nuclear spin entanglement. A mechanism for transporting Posner molecules into presynaptic neurons during vesicle endocytosis is proposed. Quantum measurements can occur when a pair of Posner molecules chemically bind and subsequently melt, releasing a shower of intra-cellular calcium ions that can trigger further neurotransmitter release and enhance the probability of post-synaptic neuron firing. Multiple entangled Posner molecules, triggering non-local quantum correlations of neuron firing rates, would provide the key mechanism for neural quantum processing. Implications, both in vitro and in vivo, are briefly mentioned.

  17. A NEW METHOD FOR EXTRACTING SPIN-DEPENDENT NEUTRON STRUCTURE FUNCTIONS FROM NUCLEAR DATA

    Energy Technology Data Exchange (ETDEWEB)

    Kahn, Y.F.; Melnitchouk, W.

    2009-01-01

    High-energy electrons are currently the best probes of the internal structure of nucleons (protons and neutrons). By collecting data on electrons scattering off light nuclei, such as deuterium and helium, one can extract structure functions (SFs), which encode information about the quarks that make up the nucleon. Spin-dependent SFs, which depend on the relative polarization of the electron beam and the target nucleus, encode quark spins. Proton SFs can be measured directly from electron-proton scattering, but those of the neutron must be extracted from proton data and deuterium or helium-3 data because free neutron targets do not exist. At present, there is no reliable method for accurately determining spin-dependent neutron SFs in the low-momentum-transfer regime, where nucleon resonances are prominent and the functions are not smooth. The focus of this study was to develop a new method for extracting spin-dependent neutron SFs from nuclear data. An approximate convolution formula for nuclear SFs reduces the problem to an integral equation, for which a recursive solution method was designed. The method was then applied to recent data from proton and deuterium scattering experiments to perform a preliminary extraction of spin-dependent neutron SFs in the resonance region. The extraction method was found to reliably converge for arbitrary test functions, and the validity of the extraction from data was verifi ed using a Bjorken integral, which relates integrals of SFs to a known quantity. This new information on neutron structure could be used to assess quark-hadron duality for the neutron, which requires detailed knowledge of SFs in all kinematic regimes.

  18. Hyperfine structure, nuclear spins and magnetic moments of some cesium isotopes

    International Nuclear Information System (INIS)

    Ekstroem, C.; Ingelman, S.; Wannberg, G.

    1977-03-01

    Using an atomic-beam magnetic resonance apparatus connected on-line with the ISOLDE isotope separator, CERN, hyperfine structure measurements have been performed in the 2 Ssub(1/2) electronic ground state of some cesium isotopes. An on-line oven system which efficiently converts a mass separated ion-beam of alkali isotopes to an atomic beam is described in some detail. Experimentally determined nuclear spins of sup(120, 121, 121m, 122, 122m, 123, 124, 126, 128, 130m, 135m)Cs and magnetic moments of sup(122, 123, 124, 126, 128, 130)Cs are reported and discussed in terms of different nuclear models. The experimental data indicate deformed nuclear shapes of the lightest cesium isotopes. (Auth.)

  19. Relation between molecular electronic structure and nuclear spin-induced circular dichroism

    DEFF Research Database (Denmark)

    Štěpánek, Petr; Coriani, Sonia; Sundholm, Dage

    2017-01-01

    with the spatial distribution of the excited states and couplings between them, reflecting changes in molecular structure and conformation. This constitutes a marked difference to the nuclear magnetic resonance (NMR) chemical shift, which only reflects the local molecular structure in the ground electronic state......The recently theoretically described nuclear spin-induced circular dichroism (NSCD) is a promising method for the optical detection of nuclear magnetization. NSCD involves both optical excitations of the molecule and hyperfine interactions and, thus, it offers a means to realize a spectroscopy...... with spatially localized, high-resolution information. To survey the factors relating the molecular and electronic structure to the NSCD signal, we theoretically investigate NSCD of twenty structures of the four most common nucleic acid bases (adenine, guanine, thymine, cytosine). The NSCD signal correlates...

  20. Pure spin-3/2 propagator for use in particle and nuclear physics

    Science.gov (United States)

    Kristiano, J.; Clymton, S.; Mart, T.

    2017-11-01

    We propose the use of a pure spin-3/2 propagator in the (3 /2 ,0 )⊕(0 ,3 /2 ) representation in particle and nuclear physics. To formulate the propagator in a covariant form we use the antisymmetric tensor spinor representation and we consider the Δ resonance contribution to the elastic π N scattering as an example. We find that the use of a conventional gauge-invariant interaction Lagrangian leads to a problem: the obtained scattering amplitude does not exhibit the resonance behavior. To overcome this problem we modify the interaction by adding a momentum dependence. As in the case of the Rarita-Schwinger formalism, we find that a perfect resonance description could be obtained in the pure spin-3/2 formulation only if hadronic form factors were considered in the interactions.

  1. Impact of hadronic and nuclear corrections on global analysis of spin-dependent parton distributions

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez-Delgado, Pedro [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Accardi, Alberto [Hampton University, Hampton, VA (United States); Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Melnitchouk, Wally [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

    2014-02-01

    We present the first results of a new global next-to-leading order analysis of spin-dependent parton distribution functions from the most recent world data on inclusive polarized deep-inelastic scattering, focusing in particular on the large-x and low-Q^2 regions. By directly fitting polarization asymmetries we eliminate biases introduced by using polarized structure function data extracted under nonuniform assumptions for the unpolarized structure functions. For analysis of the large-x data we implement nuclear smearing corrections for deuterium and 3He nuclei, and systematically include target mass and higher twist corrections to the g_1 and g_2 structure functions at low Q^2. We also explore the effects of Q^2 and W^2 cuts in the data sets, and the potential impact of future data on the behavior of the spin-dependent parton distributions at large x.

  2. Nuclear spin relaxation/resonance of {sup 8}Li in Al

    Energy Technology Data Exchange (ETDEWEB)

    Wang, D. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Salman, Z. [Clarendon Laboratory, Department of Physics, Oxford University, Parks Road, Oxford OX1 3PU (United Kingdom); ISIS Facility, Rutherford-Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom); Chow, K.H.; Fan, I. [Department of Physics, University of Alberta, Edmonton, AB, T6G 2G7 (Canada); Hossain, M.D.; Keeler, T.A. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Kiefl, R.F., E-mail: kiefl@triumf.c [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Canadian Institute for Advanced Research (Canada); Levy, C.D.P. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Mansour, A.I. [Department of Physics, University of Alberta, Edmonton, AB, T6G 2G7 (Canada); Morris, G.D.; Pearson, M.R. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Parolin, T.J. [Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z3 (Canada); Saadaoui, H.; Smadella, M.; Song, Q. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); MacFarlane, W.A. [Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z3 (Canada)

    2009-04-15

    A low energy beam of spin polarized {sup 8}Li has been used to study the behaviour of isolated {sup 8}Li implanted into a 150 nm thick film of Al on an MgO substrate. The spin relaxation rate 1/T{sub 1} and beta-NMR lineshape were measured as a function of temperature in a large magnetic field of 4.1 T. The resonances from different sites are unresolved due to the large nuclear dipolar interaction with the host {sup 27}Al magnetic dipole moments. Nevertheless the temperature variation of the site averaged 1/T{sub 1} and Knight shift show evidence for a transition between the octahedral O and substitutional S sites at about 150 K, as observed in other fcc metals.

  3. Spin disorder in maghemite nanoparticles investigated using polarized neutrons and nuclear resonant scattering

    Science.gov (United States)

    Herlitschke, M.; Disch, S.; Sergueev, I.; Schlage, K.; Wetterskog, E.; Bergström, L.; Hermann, R. P.

    2016-04-01

    The manuscript reports the investigation of spin disorder in maghemite nanoparticles of different shape by a combination of polarized small-angle neutron scattering (SANSPOL) and nuclear forward scattering (NFS) techniques. Both methods are sensitive to magnetization on the nanoscale. SANSPOL allows for investigation of the particle morphology and spatial magnetization distribution and NFS extends this nanoscale information to the atomic scale, namely the orientation of the hyperfine field experienced by the iron nuclei. The studied nanospheres and nanocubes with diameters of 7.4 nm and 10.6 nm, respectively, exhibit a significant spin disorder. This effect leads to a reduction of the magnetization to 44% and 58% of the theoretical maghemite bulk value, observed consistently by both techniques.

  4. Nuclear spin polarized alkali beams (Na, Li): Optical pumping with electro-optically modulated laser beam

    International Nuclear Information System (INIS)

    Reich, H.; Jaensch, H.J.

    1990-01-01

    An improvement of the Heidelberg source for polarized heavy ions (PSI) is described. To produce a nuclear spin polarized atomic Na beam an electro-optically modulated laser beam has been used for optical pumping. An electro-optic modulator (EOM) was constructed with a bandwidth of 1.8 GHz. Without a spin separating Stern-Gerlach magnet it is now possible to prepare a Na atomic beam in one single hyperfine magnetic substate. Thus the beam figure of merit (polarization 2 x intensity of the beam) has been improved by a factor of 4 as compared to the previous setup. Experiences with the new system collected from several beam times are discussed. (orig.)

  5. Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory

    International Nuclear Information System (INIS)

    Chamorro, E.; Proft, F. de; Geerlings, P.

    2005-01-01

    An extension of Cohen's nuclear Fukui function is presented in the spin-polarized framework of density-functional theory (SP-DFT). The resulting new nuclear Fukui function indices Φ Nα and Φ Sα are intended to be the natural descriptors for the responses of the nuclei to changes involving charge transfer at constant multiplicity and also the spin polarization at constant number of electrons. These generalized quantities allow us to gain new insights within a perturbative scheme based on DFT. Calculations of the electronic and nuclear SP-DFT quantities are presented within a Kohn-Sham framework of chemical reactivity for a sample of molecules, including H 2 O, H 2 CO, and some simple nitrenes (NX) and phosphinidenes (PX), with X=H, Li, F, Cl, OH, SH, NH 2 , and PH 2 . Results have been interpreted in terms of chemical bonding in the context of Berlin's theorem, which provides a separation of the molecular space into binding and antibinding regions

  6. Measurements of the nuclear spin-spin relaxation times for commensurate {sup 3}He-Ne films adsorbed on hexagonal boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Parks, C; Sullivan, N S [Department of Physics, University of Florida, Gainesville, FL 32611 (United States); Stachowiak, P [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wroclaw (Poland)], E-mail: Sullivan@phys.ufl.edu

    2009-02-01

    Measurements of the {sup 3}He nuclear spin-spin relaxation time, T{sub 2}, have been carried out for commensurate layers of {sup 3}He-Ne mixtures adsorbed on hexagonal boron nitride for temperatures 0.2< T <10 K. A temperature independent relaxation is observed at low temperatures and is interpreted in terms of the effective exchange frequencies for {sup 3}He particle exchange on the surface. The results show a strong dependence on the fraction of neon in the adsorbed layer. This variation is discussed in terms of a multiple spin exchange model for {sup 3}He in a monolayer. The contributions to T{sub 2} from different components of the exchange, 2-spin exchange (J{sub 2}), 3-spin exchange (J{sub 3}), 4-spin exchange (J{sub 4}) and higher exchange permutations depend on the {sup 3}He coverage and thus permit the separation of the amplitudes of the different exchange rates, and in particular allow one to deduce the relative strengths of 2-atom and 3-atom exchange where other methods are sensitive only to the effective two-particle term J{sub eff} = J{sub 2} - 2J{sub 3}.

  7. To a better management of nuclear wastes. SPIN program: chemical separations

    International Nuclear Information System (INIS)

    Madic, C.

    1995-01-01

    This document is a compilation of transparencies for a conference about the techniques used in France for the reprocessing of spent fuels. A description of the different steps of the fuel cycle and of the Purex process (TBP extraction etc..) is given. According to December 30, 1991 nuclear waste policy acts, the ultimate disposal of long life radioactive wastes is prohibited. The SPIN program has been created to develop separation and transmutation processes for high activity radioactive wastes prior to their storage in surface facilities or disposal in deep geologic repositories. The two main axes of the SPIN program are the reduction of waste volume and the reduction of long-life radionuclides quantity using new chemical processes (Diamex) and extractants (diamides, picolinamides, calixarenes, ether-crown), and destruction processes. The principal targets of the SPIN program are the minor actinides (neptunium..) and the long-life fission products (technetium, zirconium..). The processes used are derived from Purex and involve additional hydrometallurgical (pyrometallurgical) operations in order to minimize the induced secondary waste fluxes. (J.S.). 20 figs., 2 tabs

  8. Quantum correlations in a system of nuclear s = 1/2 spins in a strong magnetic field

    International Nuclear Information System (INIS)

    Fel’dman, E B; Kuznetsova, E I; Yurishchev, M A

    2012-01-01

    Entanglement and quantum discord for a pair of nuclear spins s = 1/2 in a nanopore filled with a gas of spin-carrying molecules (atoms) are studied. The correlation functions describing dynamics of dipolar-coupled spins in a nanopore are found. The dependence of spin-pair entanglement on the temperature and the number of spins is obtained from the reduced density matrix, which is centrosymmetric (CS). An analytic expression for the concurrence is obtained for an arbitrary CS density matrix. It is shown that the quantum discord as a measure of quantum correlations attains a significant value at low temperatures. It is also shown that the discord in the considered model has ‘flickering’ character and disappears periodically in the course of time evolution of the system. The geometric discord is studied for arbitrary 4 × 4 CS density matrices. (paper)

  9. Restricted conformational flexibility of furanose derivatives: Ab initio interpretation of their nuclear spin-spin coupling constants

    Czech Academy of Sciences Publication Activity Database

    Bouř, Petr; Raich, I.; Kaminsky, J.; Hrabal, R.; Čejka, J.; Sychrovský, Vladimír

    2004-01-01

    Roč. 108, - (2004), s. 6365-6372 ISSN 1089-5639 R&D Projects: GA AV ČR IAA4055104; GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4055905 Keywords : spin-spin coupling Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.639, year: 2004

  10. Novel nuclear laser spectroscopy method using superfluid helium for measurement of spins and moments of exotic nuclei

    International Nuclear Information System (INIS)

    Furukawa, Takeshi; Wakui, Takashi; Yang, Xiaofei; Fujita, Tomomi; Imamura, Kei; Yamaguchi, Yasuhiro; Tetsuka, Hiroki; Tsutsui, Yoshiki; Mitsuya, Yosuke; Ichikawa, Yuichi; Ishibashi, Yoko; Yoshida, Naoki; Shirai, Hazuki; Ebara, Yuta; Hayasaka, Miki; Arai, Shino; Muramoto, Sosuke

    2013-01-01

    Highlights: • Development of a novel nuclear laser spectroscopy method using superfluid helium. • Observation of the Zeeman resonance with the 85 Rb beam introduced into helium. • Demonstration of deducing the nuclear spins from the observed resonance spectrum. -- Abstract: We have been developing a novel nuclear laser spectroscopy method “OROCHI” for determining spins and moments of exotic radioisotopes. In this method, we use superfluid helium as a stopping material of energetic radioisotope beams and then stopped radioisotope atoms are subjected to in situ laser spectroscopy in superfluid helium. To confirm the feasibility of this method for rare radioisotopes, we carried out a test experiment using a 85 Rb beam. In this experiment, we have successfully measured the Zeeman resonance signals from the 85 Rb atoms stopped in superfluid helium by laser-RF double resonance spectroscopy. This method is efficient for the measurement of spins and moments of more exotic nuclei

  11. Novel nuclear laser spectroscopy method using superfluid helium for measurement of spins and moments of exotic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Furukawa, Takeshi, E-mail: takeshi@tmu.ac.jp [Department of Physics, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachioji, Tokyo 192-0397 (Japan); RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Wakui, Takashi [Cyclotron and Radioisotope Center, Tohoku University, 6-3 Aoba, Aramaki, Aoba, Sendai, Miyagi 980-8578 (Japan); Yang, Xiaofei [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); School of Physics, Peking University, Chengfu Road, Haidian District, Beijing 100871 (China); Fujita, Tomomi [Department of Physics, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043 (Japan); Imamura, Kei; Yamaguchi, Yasuhiro [Department of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama, Kawasaki, Kanagawa 214-8571 (Japan); Tetsuka, Hiroki; Tsutsui, Yoshiki [Department of Physics, Tokyo Gakugei University, 4-1-1 Nukuikitamachi, Koganei, Tokyo 184-8501,Japan (Japan); Mitsuya, Yosuke [Department of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama, Kawasaki, Kanagawa 214-8571 (Japan); Ichikawa, Yuichi [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Department of Physics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-8551 (Japan); Ishibashi, Yoko [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Department of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Yoshida, Naoki; Shirai, Hazuki [RIKEN Nishina Center, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Department of Physics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-8551 (Japan); Ebara, Yuta; Hayasaka, Miki [Department of Physics, Tokyo Gakugei University, 4-1-1 Nukuikitamachi, Koganei, Tokyo 184-8501,Japan (Japan); Arai, Shino; Muramoto, Sosuke [Department of Physics, Meiji University, 1-1-1 Higashi-Mita, Tama, Kawasaki, Kanagawa 214-8571 (Japan); and others

    2013-12-15

    Highlights: • Development of a novel nuclear laser spectroscopy method using superfluid helium. • Observation of the Zeeman resonance with the {sup 85}Rb beam introduced into helium. • Demonstration of deducing the nuclear spins from the observed resonance spectrum. -- Abstract: We have been developing a novel nuclear laser spectroscopy method “OROCHI” for determining spins and moments of exotic radioisotopes. In this method, we use superfluid helium as a stopping material of energetic radioisotope beams and then stopped radioisotope atoms are subjected to in situ laser spectroscopy in superfluid helium. To confirm the feasibility of this method for rare radioisotopes, we carried out a test experiment using a {sup 85}Rb beam. In this experiment, we have successfully measured the Zeeman resonance signals from the {sup 85}Rb atoms stopped in superfluid helium by laser-RF double resonance spectroscopy. This method is efficient for the measurement of spins and moments of more exotic nuclei.

  12. Synthesis and characterization of a linker for primary amines used in the solid phase organic synthesis of spermidine

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Emerson T. da; San Gil, Rosane A.S.; Lima, Edson L.S. [Universidade Federal do Rio de Janeiro (IQ/UFRJ), RJ (Brazil). Inst. de Quimica; Caldarelli, Stefano [Aix-Marseille Univ., Marseille (France). Campus de Saint Jerome; Ziarelli, Fabio [Aix-Marseille Universite Spectropole - Federation de Sciences Chimiques de Marseille, Campus de Saint Jerome (France)

    2011-07-01

    A linker resin for the synthesis of functionalized spermidine in good yield is described, along with its characterization by infrared (IR), {sup 13}C solid-state nuclear magnetic resonance with cross polarization and magic angle spinning ({sup 13}C CPMAS NMR) and {sup 1}H high resolution magic angle spinning nuclear magnetic resonance ({sup 1}H HRMAS NMR). This linker has been regenerated after cleavage of spermidine and re-used without loss of efficiency. (author)

  13. Nuclear spin polarized alkali beams (Li and Na): Production and acceleration

    International Nuclear Information System (INIS)

    Jaensch, H.; Becker, K.; Blatt, K.; Leucker, H.; Fick, D.

    1987-01-01

    Recent improvements of the Heidelberg source for polarized heavy ions (PSI) are described. By means of optical pumping in combination with the existing multipole separation magnet the beam figure of merit (polarization 2 x intensity) was doubled. 7 Li and 23 Na atomic beams can now be produced in pure hyperfine magnetic substates. Fast switching of the polarization is achieved by an adiabatic medium field transition. The hyperfine magnetic substate population is determined by laser-induced fluorescence spectroscopy. In routine operation atomic beams with nuclear polarization p α ≥0.85 (α=z, zz) are obtained. The acceleration of polarized 23 Na - ions by a 12 MV tandem accelerator introduces a new problem: the energy at the terminal stripper foil is not sufficient to produce a usable yield of naked ions. For partially stripped ions hyperfine interaction of the remaining electrons with the nuclear spin reduces the nuclear polarization. Using in addition the Heidelberg postaccelerator 23 Na 9+ beams of energies between 49 and 184 MeV were obtained with an alignment on target of P zz ≅0.45. 7 Li beams have also been accelerated up to 45 MeV with an alignment of P zz =0.69. (orig.)

  14. Instrumentation for cryogenic magic angle spinning dynamic nuclear polarization using 90L of liquid nitrogen per day.

    Science.gov (United States)

    Albert, Brice J; Pahng, Seong Ho; Alaniva, Nicholas; Sesti, Erika L; Rand, Peter W; Saliba, Edward P; Scott, Faith J; Choi, Eric J; Barnes, Alexander B

    2017-10-01

    Cryogenic sample temperatures can enhance NMR sensitivity by extending spin relaxation times to improve dynamic nuclear polarization (DNP) and by increasing Boltzmann spin polarization. We have developed an efficient heat exchanger with a liquid nitrogen consumption rate of only 90L per day to perform magic-angle spinning (MAS) DNP experiments below 85K. In this heat exchanger implementation, cold exhaust gas from the NMR probe is returned to the outer portion of a counterflow coil within an intermediate cooling stage to improve cooling efficiency of the spinning and variable temperature gases. The heat exchange within the counterflow coil is calculated with computational fluid dynamics to optimize the heat transfer. Experimental results using the novel counterflow heat exchanger demonstrate MAS DNP signal enhancements of 328±3 at 81±2K, and 276±4 at 105±2K. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Test of parity-conserving time-reversal invariance using polarized neutrons and nuclear spin aligned holmium

    International Nuclear Information System (INIS)

    Huffman, P.R.; Roberson, N.R.; Wilburn, W.S.; Gould, C.R.; Haase, D.G.; Keith, C.D.; Raichle, B.W.; Seely, M.L.; Walston, J.R.

    1997-01-01

    A test of parity-conserving, time-reversal noninvariance (PC TRNI) has been performed in 5.9 MeV polarized neutron transmission through nuclear spin aligned holmium. The experiment searches for the T-violating fivefold correlation via a double modulation technique emdash flipping the neutron spin while rotating the alignment axis of the holmium. Relative cross sections for spin-up and spin-down neutrons are found to be equal to within 1.2x10 -5 (80% confidence). This is a two orders of magnitude improvement compared to traditional detailed balance studies of time reversal, and represents the most precise test of PC TRNI in a dynamical process, to our knowledge. copyright 1997 The American Physical Society

  16. Contribution to the safety assessment of instrumentation and control software for nuclear power plants. Application to spin N4

    International Nuclear Information System (INIS)

    Soubies, B.; Boulc'h, J.; Elsensohn, O.; Le Meur, M.; Henry, J.Y.

    1994-01-01

    The process of licensing nuclear power plants for operation consists of mandatory steps featuring detailed examination of the instrumentation and control system. Significant changes were introduced by the operator in the process of designing and producing 1400 MWe pressurized water reactor safety systems and, in particular, in the case of the Digital Integrated Protection System, (French abbreviation SPIN). The methodology applied by the Institute of Protection and Nuclear Safety (IPSN) to examine the software of this system is described. It consists of the methods used by the manufacturer to develop SPIN software for the 1400 MWe PWRs, and the approach adopted by the IPSN to evaluate SPIN safety softwares of the protection system for the N4 series of reactors. (R.P.). 2 refs

  17. Modelling the molecular composition and nuclear-spin chemistry of collapsing prestellar sources

    Science.gov (United States)

    Hily-Blant, P.; Faure, A.; Rist, C.; Pineau des Forêts, G.; Flower, D. R.

    2018-04-01

    We study the gravitational collapse of prestellar sources and the associated evolution of their chemical composition. We use the University of Grenoble Alpes Astrochemical Network (UGAN), which includes reactions involving the different nuclear-spin states of H2, H+3, and of the hydrides of carbon, nitrogen, oxygen, and sulfur, for reactions involving up to seven protons. In addition, species-to-species rate coefficients are provided for the ortho/para interconversion of the H_3^+ + H2 system and isotopic variants. The composition of the medium is followed from an initial steady state through the early phase of isothermal gravitational collapse. Both the freeze-out of the molecules on to grains and the coagulation of the grains were incorporated in the model. The predicted abundances and column densities of the spin isomers of ammonia and its deuterated forms are compared with those measured recently towards the prestellar cores H-MM1, L16293E, and Barnard B1. We find that gas-phase processes alone account satisfactorily for the observations, without recourse to grain-surface reactions. In particular, our model reproduces both the isotopologue abundance ratios and the ortho:para ratios of NH2D and NHD2 within observational uncertainties. More accurate observations are necessary to distinguish between full scrambling processes—as assumed in our gas-phase network—and direct nucleus- or atom-exchange reactions.

  18. Signal interferences from turbulent spin dynamics in solution nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Huang, Susie Y.; Lin, Yung-Ya; Lisitza, Natalia; Warren, Warren S.

    2002-06-01

    Artifacts arising from aperiodic turbulent spin dynamics in gradient-based nuclear magnetic resonance (NMR) applications are comprehensively surveyed and numerically simulated by a nonlinear Bloch equation. The unexpected dynamics, triggered by the joint action of radiation damping and the distant dipolar field, markedly deteriorate the performance of certain pulse sequences incorporating weak pulsed-field gradients and long evolution times. The effects are demonstrated in three general classes of gradient NMR applications: solvent signal suppression, diffusion measurements, and coherence pathway selection. Gradient-modulated solvent transverse magnetization can be partially rephased in a series of self-refocusing gradient echoes that blank out solute resonances in the CHESS (chemical-shift-selective spectroscopy) and WATERGATE (gradient-tailored water suppression) solvent suppression schemes. In addition, the discovered dynamics contribute to erratic echo attenuation in pulsed gradient spin echo (PGSE) and PGSE stimulated echo diffusion measurements and produce coherence leakage in gradient-selected DQFCOSY and HMQC experiments. Specific remedies for minimizing unwanted effects are presented.

  19. Quantum non demolition measurement of a single nuclear spin in a room temperature solid

    Energy Technology Data Exchange (ETDEWEB)

    Neumann, Phillip; Beck, Johannes; Steiner, Matthias; Rathgen, Helmut; Rempp, Florian; Zarrabi, Navid; Dolde, Florian; Jelezko, Fedor; Wrachtrup, Joerg [Universitaet Stuttgart (Germany); Hemmer, Philip [A and M University, Texas (United States)

    2010-07-01

    The measurement process and its interpretation are in the focus of quantum mechanics since its early days. Today's ability to isolate single quantum objects allows experimental demonstration of former ''gedankenexperiments'' like measurement induced quantum state collaps. Rapidly growing quantum technologies explore fundamental aspects of measurements in quantum computing, however for solid state systems such experiments require operation at very low temperatures. Here we show that projective quantum measurement can be performed on a single nuclear spin in diamond under ambient conditions. Using quantum non demolition (QND) readout we are able to detect quantum jumps and the quantum Zeno effect emphasising the addressability of fundamental questions of quantum mechanics in solids. Single shot measurements with fidelities exceeding 0.9 enable efficient state initialization, quantum error correction and entanglement pumping that is crucial for quantum information processing including measurement based schemes and distributed quantum networks.

  20. Theory of radiative muon capture with applications to nuclear spin and isospin doublets

    International Nuclear Information System (INIS)

    Hwang, W.P.; Primakoff, H.

    1978-01-01

    A theory of radiative muon capture, with applications to nuclear spin and isospin doublets, is formulated on the basis of the conservation of the hadronic electromagnetic current, the conservation of the hadronic weak polar currents, the partial conservation of the hadronic weak axial-vector current, the SU(2) x SU(2) current algebra for the various hadronic current, and a simplifying dynamical approximation for the hadron-radiating part of the transition amplitude: the ''linearity hypothesis''. The resultant total transition amplitude, which also includes the muon-radiating part, is worked out explicitly and applied to treat the processes μ - p → ν/sub μ/nγ and μ - 3 He → ν/sub μ/ 3 Hγ

  1. Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

    Science.gov (United States)

    Fuson, Michael M.

    2017-01-01

    Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…

  2. Degradation of organochloride pesticides by molten salt oxidation at IPEN: spin-off nuclear activities

    International Nuclear Information System (INIS)

    Lainetti, Paulo E.O.

    2013-01-01

    Nuclear spin-off has at least two dimensions. It may provide benefits to the society such as enlarge knowledge base, strengthen infrastructure and benefit technology development. Besides this, to emphasize that some useful technologies elapsed from nuclear activities can affect favorably the public opinion about nuclear energy. In this paper is described a technology developed initially by the Rockwell Int. company in the USA more than thirty years ago to solve some problems of nuclear fuel cycle wastes. For different reasons the technology was not employed. In the last years the interest in the technology was renewed and IPEN has developed his version of the method applicable mainly to the safe degradation of hazardous wastes. This study was motivated by the world interest in the development of advanced processes of waste decomposition, due to the need of safer decomposition processes, particularly for the POPs - persistent organic pollutants and particularly for the organ chlorides. A tendency observed at several countries is the adoption of progressively more demanding legislation for the atmospheric emissions, resultants of the waste decomposition processes. The suitable final disposal of hazardous organic wastes such as PCBs (polychlorinated biphenyls), pesticides, herbicides and hospital residues constitutes a serious problem. In some point of their life cycles, these wastes should be destroyed, in reason of the risk that they represent for the human being, animals and plants. The process involves using a chemical reactor containing molten salts, sodium carbonate or some alkaline carbonates mixtures to decompose the organic waste. The decomposition is performed by submerged oxidation and the residue is injected below the surface of a turbulent salt bath along with the oxidizing agent. Decomposition of halogenated compounds, among which some pesticides, is particularly effective in molten salts. The process presents properties such as intrinsically safe

  3. Demonstration of a Sensitive Method to Measure Nuclear-Spin-Dependent Parity Violation

    Science.gov (United States)

    Altuntaş, Emine; Ammon, Jeffrey; Cahn, Sidney B.; DeMille, David

    2018-04-01

    Nuclear-spin-dependent parity violation (NSD-PV) effects in atoms and molecules arise from Z0 boson exchange between electrons and the nucleus, and from the magnetic interaction between electrons and the parity-violating nuclear anapole moment. We demonstrate measurements of NSD-PV that use an enhancement of the effect in diatomic molecules, here using the test system 138Ba 19. Our sensitivity surpasses that of any previous atomic parity violation measurement. We show that systematic errors can be suppressed to at least the level of the present statistical sensitivity. We measure the matrix element W of the NSD-PV interaction with total uncertainty δ W /(2 π )<0.7 Hz , for each of two configurations where W must have different signs. This sensitivity would be sufficient to measure NSD-PV effects of the size anticipated across a wide range of nuclei including 137Ba in 137BaF, where |W |/(2 π )≈5 Hz is expected.

  4. Measuring nuclear-spin-dependent parity violation with molecules: Experimental methods and analysis of systematic errors

    Science.gov (United States)

    Altuntaş, Emine; Ammon, Jeffrey; Cahn, Sidney B.; DeMille, David

    2018-04-01

    Nuclear-spin-dependent parity violation (NSD-PV) effects in atoms and molecules arise from Z0 boson exchange between electrons and the nucleus and from the magnetic interaction between electrons and the parity-violating nuclear anapole moment. It has been proposed to study NSD-PV effects using an enhancement of the observable effect in diatomic molecules [D. DeMille et al., Phys. Rev. Lett. 100, 023003 (2008), 10.1103/PhysRevLett.100.023003]. Here we demonstrate highly sensitive measurements of this type, using the test system 138Ba19F. We show that systematic errors associated with our technique can be suppressed to at least the level of the present statistical sensitivity. With ˜170 h of data, we measure the matrix element W of the NSD-PV interaction with uncertainty δ W /(2 π )<0.7 Hz for each of two configurations where W must have different signs. This sensitivity would be sufficient to measure NSD-PV effects of the size anticipated across a wide range of nuclei.

  5. Multi-nuclear NMR study of polytype and defect distribution in neutron irradiated silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

    Brigden, C.T., E-mail: ctb26@cam.ac.uk [Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ (United Kingdom); Farnan, I., E-mail: if203@cam.ac.uk [Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ (United Kingdom); Hania, P.R., E-mail: hania@nrg.eu [Nuclear Research Group (NRG), Westerduinweg 3, NL-1755LE Petten (Netherlands)

    2014-01-15

    Silicon carbide containing 92% β-SiC has been irradiated in a material test reactor at a fast neutron fluence (>0.1 MeV) of 3.39 × 10{sup 21} n cm{sup −2} at an average temperature of 796 °C, and subsequently studied by {sup 29}Si and {sup 13}C MAS NMR spectroscopy. A small amount of structural alteration was measured with the α-SiC polytypes increasing from around 8–14%. Based on the assumption that the primary dominant defect is the paramagnetic Si{sub V}{sup -} defect. The defect concentration has been measured in both the irradiated and unirradiated sample using spin lattice relaxation time (T{sub 1}) data obtained via a saturation-recovery experiment and was found to increase from 4.6 × 10{sup 18} cm{sup −3} to 1.5 × 10{sup 20} cm{sup −3}. A case is presented to show that a small residual internuclear dipolar coupling contribution (at 3.80 × 10{sup −6}% of its total value) towards the T{sub 1} in the unirradiated reference sample significantly modifies the relaxation time from a value based solely on the dominant nuclear defect coupling mechanism.

  6. Floquet-Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance spectra

    Science.gov (United States)

    Mananga, Eugene Stephane; Charpentier, Thibault

    2015-04-01

    In this paper we present a theoretical perturbative approach for describing the NMR spectrum of strongly dipolar-coupled spin systems under fast magic-angle spinning. Our treatment is based on two approaches: the Floquet approach and the Floquet-Magnus expansion. The Floquet approach is well known in the NMR community as a perturbative approach to get analytical approximations. Numerical procedures are based on step-by-step numerical integration of the corresponding differential equations. The Floquet-Magnus expansion is a perturbative approach of the Floquet theory. Furthermore, we address the " γ -encoding" effect using the Floquet-Magnus expansion approach. We show that the average over " γ " angle can be performed for any Hamiltonian with γ symmetry.

  7. Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe.

    Science.gov (United States)

    Nanni, Emilio A; Barnes, Alexander B; Matsuki, Yoh; Woskov, Paul P; Corzilius, Björn; Griffin, Robert G; Temkin, Richard J

    2011-05-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B(1S)) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4mm diameter sapphire rotor containing the sample. The predicted average B(1S) field is 13μT/W(1/2), where S denotes the electron spin. For a routinely achievable input power of 5W the corresponding value is γ(S)B(1S)=0.84MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement (ϵ) vs. ω(1S)/(2π) for a sample of (13)C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. Theoretical studies on nuclear spin selective quantum dynamics of non-linear molecules; Theoretische Untersuchung zur Quantendynamik der Kernspinisomere nicht-linearer Molekuele

    Energy Technology Data Exchange (ETDEWEB)

    Grohmann, Thomas

    2012-05-31

    In this thesis the wave packet dynamics of nuclear spin isomers of polyatomic molecules after interaction with static and time-dependent magnetic fields and moderate intense nonresonant laser pulses is investigated. In particular, the process of inducing (internal) molecular rotation as well as alignment of molecules by manipulating their rotational or rotational-torsional degrees of freedom is studied. In the first part of the thesis all theoretical concepts for identifying nuclear spin isomers and for describing their quantum dynamics will be discussed. Especially the symmetrization postulate and themolecular symmetry group will be introduced and illustrated for some examples of molecules. These concepts will be extended to the case of identifying nuclear spin isomers in the presence of an external field. In the second part it is shown for nitromethane that magnetic fields are able to induce unidirectional rotations in opposite directions for different nuclear spin isomers of molecules containing methyl groups if the dipolar interaction is included. Additionally, it is demonstrated that different nuclear spin isomers of a chemical compound may show different alignment after the interaction with a moderate intense laser pulse. As shown for the rigid symmetric top propadien and the rigid asymmetric tops ethene and analogues, distinct pairs of nuclear spin isomers show at certain points in time a complementary behavior: while one isomer is showing alignment the partner isomer is showing anti-alignment. Moreover, it is illustrated that not every nuclear spin isomer can be aligned equally efficient. The alignment of non-rigid molecules is considered as well. As an example for a molecule with feasible torsion in the electronic ground state, the alignment of diboron tetrafluoride is investigated. It becomes apparent that not only rotational but also the torsional dynamics of the molecules is nuclear spin selective; different nuclear spin isomers have at distinct points

  9. Occurence and storage of {sup 13}C-carbon in Danish maize fields; Forekomst og lagring af {sup 13}C-kulstof i danske jorde dyrket med majs

    Energy Technology Data Exchange (ETDEWEB)

    Elsgaard, L. [Danmarks JordbrugsForskning. Afd. for Jordbrugsproduktion og Miljoe, Tjele (Denmark); Luxhoej, J. [Den Kongelige Veterinaer- og Landbohoejskole, Laboratoriet for Plante og Jordvidenskab, Koebenhavn (Denmark); Stoumann Jensen, L. [Den Kongelige Veterinaer- og Landbohoejskole, Laboratoriet for Plante og Jordvidenskab, Koebenhavn (Denmark); Tolstrup Christensen, B. [Danmarks JordbrugsForskning. Afd. for Jordbrugsproduktion og Miljoe, Tjele (Denmark)

    2005-01-01

    Carbon stored in soil drains the atmosphere for CO{sub 2} and has potential for counteracting CO{sub 2} content in the atmosphere. In order to evaluate the potential, there is a need for increased comprehension of the processes contributing to stable carbon storage in soil under practical cultivation conditions. Preliminary studies have estimated the amount of carbon deposited from maize in soil strata down to 100 cm under Danish conditions. Isotope analyses of soil samples from 8 fields with between 5 and 28 years cultivation of maize show that between 2,7 and 9,2% of the soil's carbon were deposited from maize in the upper layer of soil (0-25 cm). There was, however, no significant correlation between the age of the maize field and the calculated fraction of inherited maize-carbon. Deeper soil strata showed a smaller fraction of maize-carbon and the total amount of maize-carbon (0-0,8) was small compared to upper soil strata (0,5-1,9%). On average, studies of the eight localities showed that soil strata from 0-25 cm and 0-50 cm contained respectively 65% and 79% of the inherited maize-carbon, while 21% were found in soil strata from 50-100 cm. The study confirms that there is a significant uncertainty attached to measurements in maize fields subdued to practical cultivation. The uncertainty is primarily related to lack of knowledge about soil's isotope conditions prior to the cultivation of maize. More precise estimates of the inheritance of maize-carbon in soil can therefore include results from controlled tests conducted under field-like conditions. (BA)

  10. Nuclear spin state-resolved cavity ring-down spectroscopy diagnostics of a low-temperature H3+ -dominated plasma

    International Nuclear Information System (INIS)

    Hejduk, Michal; Dohnal, Petr; Varju, Jozef; Rubovič, Peter; Plašil, Radek; Glosík, Juraj

    2012-01-01

    We have applied a continuous-wave near-infrared cavity ring-down spectroscopy method to study the parameters of a H 3 + -dominated plasma at temperatures in the range 77–200 K. We monitor populations of three rotational states of the ground vibrational state corresponding to para and ortho nuclear spin states in the discharge and the afterglow plasma in time and conclude that abundances of para and ortho states and rotational temperatures are well defined and stable. The non-trivial dependence of a relative population of para- H 3 + on a relative population of para-H 2 in a source H 2 gas is described. The results described in this paper are valuable for studies of state-selective dissociative recombination of H 3 + ions with electrons in the afterglow plasma and for the design of sources of H 3 + ions in a specific nuclear spin state. (paper)

  11. Nuclear spin state-resolved cavity ring-down spectroscopy diagnostics of a low-temperature H_3^+ -dominated plasma

    Science.gov (United States)

    Hejduk, Michal; Dohnal, Petr; Varju, Jozef; Rubovič, Peter; Plašil, Radek; Glosík, Juraj

    2012-04-01

    We have applied a continuous-wave near-infrared cavity ring-down spectroscopy method to study the parameters of a H_3^+ -dominated plasma at temperatures in the range 77-200 K. We monitor populations of three rotational states of the ground vibrational state corresponding to para and ortho nuclear spin states in the discharge and the afterglow plasma in time and conclude that abundances of para and ortho states and rotational temperatures are well defined and stable. The non-trivial dependence of a relative population of para- H_3^+ on a relative population of para-H2 in a source H2 gas is described. The results described in this paper are valuable for studies of state-selective dissociative recombination of H_3^+ ions with electrons in the afterglow plasma and for the design of sources of H_3^+ ions in a specific nuclear spin state.

  12. 14N Nuclear Quadrupole Resonance Signals in Paranitrotoluene and Trinitrotoluene. Spin-Lock Spin-Echo Off-Resonance Effects

    Science.gov (United States)

    Gregorovič, Alan; Apih, Tomaž; Lužnik, Janko; Pirnat, Janez; Trontelj, Zvone

    A simple, yet effective technique to enhance the 14N NQR trinitrotoluene notoriously low sensitivity is the use of multipulse sequences. Here we investigate the off-resonance effects of the Spin-Lock Spin-Echo multipulse sequence, a predecessor of many advanced pulse sequences used for the same enhancement. Two samples have been used: paranitrotoluene, with a single 14N site as a model compound for trinitrotoluene, and trinitrotoluene itself, with six 14N sites. Our main focus has been the irradiation frequency dependence of the NQR signal, which is important when 14N NQR is used for remote detection of explosives. The two related principal issues are: the target temperature uncertainty and the existence of multiplets with several closely spaced resonance frequencies. The first applies to any explosive, since in remote detection the temperature is only approximately known, whereas the second applies mainly to trinitrotoluene, with 12 resonance frequencies between 837 and 871 kHz. Our frequency dependent investigation shows that the signal intensity as well as the effective spinspin relaxation time varies substantially with irradiation frequency in both samples. We provide a theoretical explanation of this variation which describes very well the observations and can be useful for increasing the reliability of remote detection signal processing.

  13. The cosmic axion spin precession experiment (CASPEr): a dark-matter search with nuclear magnetic resonance

    Science.gov (United States)

    Garcon, Antoine; Aybas, Deniz; Blanchard, John W.; Centers, Gary; Figueroa, Nataniel L.; Graham, Peter W.; Kimball, Derek F. Jackson; Rajendran, Surjeet; Gil Sendra, Marina; Sushkov, Alexander O.; Trahms, Lutz; Wang, Tao; Wickenbrock, Arne; Wu, Teng; Budker, Dmitry

    2018-01-01

    The cosmic axion spin precession experiment (CASPEr) is a nuclear magnetic resonance experiment (NMR) seeking to detect axion and axion-like particles which could make up the dark matter present in the Universe. We review the predicted couplings of axions and axion-like particles with baryonic matter that enable their detection via NMR. We then describe two measurement schemes being implemented in CASPEr. The first method, presented in the original CASPEr proposal, consists of a resonant search via continuous-wave NMR spectroscopy. This method offers the highest sensitivity for frequencies ranging from a few Hz to hundreds of MHz, corresponding to masses {m}{{a}}∼ {10}-14–{10}-6 eV. Sub-Hz frequencies are typically difficult to probe with NMR due to the diminishing sensitivity of magnetometers in this region. To circumvent this limitation, we suggest new detection and data processing modalities. We describe a non-resonant frequency-modulation detection scheme, enabling searches from mHz to Hz frequencies ({m}{{a}}∼ {10}-17–{10}-14 eV), extending the detection bandwidth by three decades.

  14. Dynamical suppression of nuclear-spin decoherence time in Si and GaAs using inversion pulses

    International Nuclear Information System (INIS)

    Watanabe, S.; Harada, J.; Sasaki, S.; Hirayama, Y.

    2007-01-01

    We found that nuclear-spin decoherence is suppressed by applying inversion pulses such as alternating phase Carr-Purcell (APCP) and Carr-Purcell-Meiboom-Gill (CPMG) sequences in silicon and GaAs. The decoherence time reaches ∼1.3s by applying inversion pulses, which is ∼200 times as long as the characteristic decay time obtained from the Hahn echo sequence (∼6ms) in silicon

  15. Magnetization and 13C NMR spin-lattice relaxation of nanodiamond powder

    Energy Technology Data Exchange (ETDEWEB)

    Levin, E.M.; Fang, X.W.; Bud' ko, S.L.; Straszheim, W.E.; McCallum, R.W.; Schmidt-Rohr, K.

    2008-02-15

    The bulk magnetization at temperatures of 1.8-400 K and in magnetic fields up to 70 kOe, the ambient temperature {sup 13}C NMR spin-lattice relaxation, T{sub 1,c}, and the elemental composition of three nanodiamond powder samples have been studied. The total magnetization of nanodiamond can be explained in terms of contributions from (1) the diamagnetic effect of carbon, (2) the paramagnetic effect of unpaired electrons present in nanodiamond grains, and (3) ferromagnetic-like and (4) superparamagnetic contributions from Fe-containing particles detected in spatially resolved energy-dispersive spectroscopy. Contributions (1) and (2) are intrinsic to nanodiamond, while contributions (3) and (4) arise from impurities naturally present in detonation nanodiamond samples. {sup 13}C NMR T{sub 1,c} relaxation would be unaffected by the presence of the ferromagnetic particles with the bulk magnetization of {approx} 0.01 emu/g at 300 K. Thus, a reduction of T{sub 1,c} by 3 orders of magnitude compared to natural and synthetic microdiamonds confirms the presence of unpaired electrons in the nanodiamond grains. The spin concentration in nanodiamond powder corresponds to {approx}30 unpaired electrons per {approx}4.6 nm diameter nanodiamond grain.

  16. Nuclear shape transitions and some properties of aligned-particle configurations at high spin

    International Nuclear Information System (INIS)

    Koo, T.L.; Chowdhury, P.; Emling, H.

    1982-01-01

    Two topics are addressed in this paper. First, we discuss the variation of shapes with spin and neutron number for nuclei in the N approx. = 88 transitional region. Second, we present comments on the feeding times of very high spin single-particle yrast states

  17. Collective spin by linearization of the Schrodinger equation for nuclear collective motion

    International Nuclear Information System (INIS)

    Greiner, M.; Scheid, W.; Herrmann, R.

    1988-01-01

    The free Schrodinger equation for multipole degrees of freedom is linearized so that energy and momentum operators appear only in first order. As an example, the authors demonstrate the linearization procedure for quadrupole degrees of freedom. The wave function solving this equation carries a spin. The authors derive the operator of the collective spin and its eigen values depending on multipolarity

  18. Nuclear inelastic scattering of 1D polymeric Fe(II) complexes of 1,2,4-aminotriazole in their high-spin and low-spin state

    Energy Technology Data Exchange (ETDEWEB)

    Wolny, Juliusz A., E-mail: wolny@physik.uni-kl.de; Rackwitz, Sergej [University of Kaiserslautern, Department of Physics (Germany); Achterhold, Klaus [Technische Universitaet Muenchen, Department of Physics (Germany); Muffler, Kai; Schuenemann, Volker [University of Kaiserslautern, Department of Physics (Germany)

    2012-03-15

    The vibrational properties of Fe(II) 1D spin crossover polymers have been characterized by nuclear inelastic scattering (NIS). The complexes under study were the tosylate and perchlorate salts of ([Fe(4-amino-1,2,4-triazole){sub 3}] <{sup +2}){sub n} complexes. The complexes have LS (S = 0) marker bands in the range of 300-500 cm{sup - 1}, while the marker bands corresponding to the HS (S = 2) state are detected between 200 cm{sup - 1} and 300 cm{sup - 1}, in line with the decreasing Fe-N bond strengths during the transition from LS to HS. Accompanying DFT calculations using the functional B3LYP and the basis set CEP-31G confirm these assignments.

  19. In a spin at Brookhaven spin physics

    CERN Document Server

    Makdisi, Y I

    2003-01-01

    The mysterious quantity that is spin took centre stage at Brookhaven for the SPIN2002 meeting last September. The 15th biennial International Spin Physics Symposium (SPIN2002) was held at Brookhaven National Laboratory on 9-14 September 2002. Some 250 spin enthusiasts attended, including experimenters and theorists in both nuclear and high-energy physics, as well as accelerator physicists and polarized target and polarized source experts. The six-day symposium included 23 plenary talks and 150 parallel talks. SPIN2002 was preceded by a one-day spin physics tutorial for students, postdocs, and anyone else who felt the need for a refresher course. (2 refs).

  20. Landau-Zener tunneling of a single Tb3+ magnetic moment allowing the electronic read-out of a nuclear spin

    Science.gov (United States)

    Urdampilleta, M.; Klyatskaya, S.; Ruben, M.; Wernsdorfer, W.

    2013-05-01

    A multiterminal device based on a carbon nanotube quantum dot was used at very low temperature to probe a single electronic and nuclear spin embedded in a bis-(phthalocyaninato) terbium (III) complex (TbPc2). A spin-valve signature with large conductance jumps was found when two molecules were strongly coupled to the nanotube. The application of a transverse field separated the magnetic signal of both molecules and enabled single-shot read-out of the terbium nuclear spin. The Landau-Zener (LZ) quantum tunneling probability was studied as a function of field sweep rate, establishing a good agreement with the LZ equation and yielding the tunnel splitting Δ. It was found that Δ increased linearly as a function of the transverse field. These studies are an essential prerequisite for the coherent manipulation of a single nuclear spin in TbPc2.

  1. Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation

    International Nuclear Information System (INIS)

    Dumez, Jean-Nicolas; Håkansson, Pär; Mamone, Salvatore; Meier, Benno; Stevanato, Gabriele; Hill-Cousins, Joseph T.; Roy, Soumya Singha; Brown, Richard C. D.; Pileio, Giuseppe; Levitt, Malcolm H.

    2015-01-01

    Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T 1 . Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in 13 CH 3 groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states

  2. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems

    Science.gov (United States)

    Chang, Zhiwei; Halle, Bertil

    2017-08-01

    In aqueous systems with immobilized macromolecules, including biological tissues, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have previously developed a rigorous EMOR relaxation theory for dipole-coupled two-spin and three-spin systems. Here, we extend the stochastic Liouville theory to four-spin systems and use these exact results as a guide for constructing an approximate multi-spin theory, valid for spin systems of arbitrary size. This so-called generalized stochastic Redfield equation (GSRE) theory includes the effects of longitudinal-transverse cross-mode relaxation, which gives rise to an inverted step in the relaxation dispersion profile, and coherent spin mode transfer among solid-like spins, which may be regarded as generalized spin diffusion. The GSRE theory is compared to an existing theory, based on the extended Solomon equations, which does not incorporate these phenomena. Relaxation dispersion profiles are computed from the GSRE theory for systems of up to 16 protons, taken from protein crystal structures. These profiles span the range from the motional narrowing limit, where the coherent mode transfer plays a major role, to the ultra-slow motion limit, where the zero-field rate is closely related to the strong-collision limit of the dipolar relaxation rate. Although a quantitative analysis of experimental data is beyond the scope of this work, it is clear from the magnitude of the predicted relaxation rate and the shape of the relaxation dispersion profile that the dipolar EMOR mechanism is the principal cause of water-1H low-field longitudinal relaxation in aqueous systems of immobilized macromolecules, including soft biological tissues. The relaxation theory developed here therefore provides a basis for molecular-level interpretation of endogenous soft

  3. Nanoscale quantum gyroscope using a single 13C nuclear spin coupled with a nearby NV center in diamond

    Science.gov (United States)

    Song, Xuerui; Wang, Liujun; Feng, Fupan; Lou, Liren; Diao, Wenting; Duan, Chongdi

    2018-03-01

    Developing gyroscopes based on quantum systems are important for inertial sensing applications, and its underlying physics is of fundamental interest. In this paper, we proposed a new type of gyroscope based on the Berry phase generated during rotation of the quantum system by using a single 13C nuclear spin coupled with a nearby nitrogen-vacancy center in diamond. Due to the atom-scale size of the quantum system, rotation information can be obtained with high spatial resolution. The gyroscope can be manipulated at room temperature and without the need for a strong magnetic field, which is also beneficial to its further applications.

  4. Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Zuniga-Gutierrez, Bernardo, E-mail: bzuniga.51@gmail.com [Departamento de Ciencias Computacionales, Universidad de Guadalajara, Blvd. Marcelino García Barragán 1421, C.P. 44430 Guadalajara, Jalisco (Mexico); Camacho-Gonzalez, Monica [Universidad Tecnológica de Tecámac, División A2, Procesos Industriales, Carretera Federal México Pachuca Km 37.5, Col. Sierra Hermosa, C.P. 55740 Tecámac, Estado de México (Mexico); Bendana-Castillo, Alfonso [Universidad Tecnológica de Tecámac, División A3, Tecnologías de la Información y Comunicaciones, Carretera Federal México Pachuca Km 37.5, Col. Sierra Hermosa, C.P. 55740 Tecámac, Estado de México (Mexico); Simon-Bastida, Patricia [Universidad Tecnlógica de Tulancingo, División Electromecánica, Camino a Ahuehuetitla No. 301, Col. Las Presas, C.P. 43642 Tulancingo, Hidalgo (Mexico); Calaminici, Patrizia; Köster, Andreas M. [Departamento de Química, CINVESTAV, Avenida Instituto Politécnico Nacional 2508, A.P. 14-740, México D.F. 07000 (Mexico)

    2015-09-14

    The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-cluster level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H{sup 12}C–{sup 12}CH–DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated.

  5. Pseudogap Behavior of the Nuclear Spin-Lattice Relaxation Rate in FeSe Probed by 77Se-NMR

    Science.gov (United States)

    Shi, Anlu; Arai, Takeshi; Kitagawa, Shunsaku; Yamanaka, Takayoshi; Ishida, Kenji; Böhmer, Anna E.; Meingast, Christoph; Wolf, Thomas; Hirata, Michihiro; Sasaki, Takahiko

    2018-01-01

    We conducted 77Se-nuclear magnetic resonance studies of the iron-based superconductor FeSe in magnetic fields of 0.6 to 19 T to investigate the superconducting and normal-state properties. The nuclear spin-lattice relaxation rate divided by the temperature (T1T)-1 increases below the structural transition temperature Ts but starts to be suppressed below T*, well above the superconducting transition temperature Tc(H), resulting in a broad maximum of (T1T)-1 at Tp(H). This is similar to the pseudogap behavior in optimally doped cuprate superconductors. Because T* and Tp(H) decrease in the same manner as Tc(H) with increasing H, the pseudogap behavior in FeSe is ascribed to superconducting fluctuations, which presumably originate from the theoretically predicted preformed pair above Tc(H).

  6. Study of nuclear isovector spin responses from polarization transfer in (p,n) reactions at intermediate energies

    International Nuclear Information System (INIS)

    Wakasa, Tomotsugu

    1997-01-01

    We have measured a complete set of polarization transfer observables has been measured for quasi-free (p vector, n vector) reactions on 2 H, 6 Li, 12 C, 40 Ca, and 208 Pb at a bombarding energy of 346MeV and a laboratory scattering angle of 22deg (q=1.7 fm -1 ). The polarization transfer observables for all five targets are remarkably similar. These polarization observables yield separated spin-longitudinal (σ·q) and spin-transverse (σxq) nuclear responses. These results are compared to the spin-transverse responses measured in deep-inelastic electron scattering as well as to nuclear responses based on the random phase approximation. Such a comparison reveals an enhancement in the (p vector, n vector) spin-transverse channel, which masks the effect of pionic correlations in the response ratio. Second, the double differential cross sections at θ lab between 0deg and 12.3deg and the polarization transfer D NN at 0deg for the 90 Zr(p,n) reaction are measured at a bombarding energy of 295MeV. The Gamow-Teller(GT) strength B(GT) in the continuum deduced from the L=0 cross section is compared both with the perturbative calculation by Bertsch and Hamamoto and with the second-order random phase approximation calculation by Drozdz et al. The sum of B(GT) values up to 50MeV excitation becomes S β- =28.0±1.6 after subtracting the contribution of the isovector spin-monopole strength. This S β- value of 28.0±1.6 corresponds to about (93±5)% of the minimum value of the sum-rule 3(N-Z)=30. Last, first measurements of D NN (0deg) for (p vector, n vector) reactions at 295MeV yield large negative values up to 50MeV excitation for the 6 Li, 11 B, 12 C, 13 C(p vector, n vector) reactions. DWIA calculations using the Franey and Love (FL) 270MeV interaction reproduce differential cross sections and D NN (0deg) values, while the FL 325MeV interaction yield D NN (0deg) values less negative than the experimental values. (J.P.N.)

  7. Tracing {sup 13}C reveals the below ground connection between trees and fungi

    Energy Technology Data Exchange (ETDEWEB)

    Siegwolf, R.T.W.; Steinmann, K.; Saurer, M.; Koerner, Ch.

    2003-03-01

    Freshly assimilated atmospheric CO{sub 2} is transferred as sugars from the leaves into the whole organism. Since mycorrhiza fungi and tree roots are in an intensive symbiosis, the fungi provide important information about the tree internal carbon distribution. (author)

  8. Structural characteristics of marine sedimentary humic acids by CP/MAS sup(13)C NMR spectroscopy

    Digital Repository Service at National Institute of Oceanography (India)

    Sardessai, S.; Wahidullah, S.

    acides humiques de la mer d’Arabie ; les acides humiques des stdiments estuariens et &tiers de la baie du Bengale sont dominks par les hyd.rates de carbone et les structures aro- matiques, ainsi que, dans une moindre mesure, par les structures... ont CtC Ctudiks dans diffkrents environnements de d6pp8ts par RMN du 13C (&at solide) et les rksultats ont Ctt cornparks avec les analyses chimiques traditionnelles en milieu liquide. Les donnkes obte- nues sont en accord avec la littkrature...

  9. Devices and process for high-pressure magic angle spinning nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Hoyt, David W.; Sears, Jesse A.; Turcu, Romulus V. F.; Rosso, Kevin M.; Hu, Jian Zhi

    2017-12-05

    A high-pressure magic angle spinning (MAS) rotor is detailed that includes a high-pressure sample cell that maintains high pressures exceeding 150 bar. The sample cell design minimizes pressure losses due to penetration over an extended period of time.

  10. Determination of spins and radioactive widths of tellurium nuclear levels with capturre gamma rays

    International Nuclear Information System (INIS)

    Bianchini, F.G.

    1973-01-01

    Spins and levels widths of the tellurium, mainly 128 Te and 130 Te, were determinated by gamma spectroscopy. Measurements of inelastic and elastic scattering, angular distribution and scattering temperature dependence, were still made. Energy levels of this isotopes, were also determinated [pt

  11. Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Guangjin, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu; Lu, Xingyu, E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Vega, Alexander J., E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Polenova, Tatyana, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA and Pittsburgh Center for HIV Protein Interactions, University of Pittsburgh School of Medicine, 1051 Biomedical Science Tower 3, 3501 Fifth Ave., Pittsburgh, Pennsylvania 15261 (United States)

    2014-09-14

    We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.

  12. Quantum entanglement analysis of an optically excited coupling of two nuclear spins via a mediator: Combining the quantum concurrence and negativity

    Science.gov (United States)

    Fu, Chenghua; Hu, Zhanning

    2018-03-01

    In this paper, we investigate the characteristics of the nuclear spin entanglement generated by an intermedium with an optically excited triplet. Significantly, the interaction between the two nuclear spins presents to be a direct XY coupling in each of the effective subspace Hamiltonians which are obtained by applying a transformation on the natural Hamiltonian. The quantum concurrence and negativity are discussed to quantitatively describe the quantum entanglement, and a comparison between them can reveal the nature of their relationship. An innovative general equation describing the relationship between the concurrence and negativity is explicitly obtained.

  13. Research program in nuclear and solid state physics. [including pion absorption spectra and muon spin precession

    Science.gov (United States)

    1974-01-01

    The survey of negative pion absorption reactions on light and medium nuclei was continued. Muon spin precession was studied using an iron target. An impulse approximation model of the pion absorption process implied that the ion will absorb almost exclusively on nucleon pairs, single nucleon absorption being suppressed by energy and momentum conservation requirements. For measurements on both paramagnetic and ferromagnetic iron, the external magnetic field was supplied by a large C-type electromagnet carrying a current of about 100 amperes.

  14. Accelerating proton spin diffusion in perdeuterated proteins at 100 kHz MAS

    Energy Technology Data Exchange (ETDEWEB)

    Wittmann, Johannes J.; Agarwal, Vipin; Hellwagner, Johannes; Lends, Alons; Cadalbert, Riccardo; Meier, Beat H., E-mail: beme@ethz.ch; Ernst, Matthias, E-mail: maer@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland)

    2016-12-15

    Fast magic-angle spinning (>60 kHz) has many advantages but makes spin-diffusion-type proton–proton long-range polarization transfer inefficient and highly dependent on chemical-shift offset. Using 100%-HN-[{sup 2}H,{sup 13}C,{sup 15}N]-ubiquitin as a model substance, we quantify the influence of the chemical-shift difference on the spin diffusion between proton spins and compare two experiments which lead to an improved chemical-shift compensation of the transfer: rotating-frame spin diffusion and a new experiment, reverse amplitude-modulated MIRROR. Both approaches enable broadband spin diffusion, but the application of the first variant is limited due to fast spin relaxation in the rotating frame. The reverse MIRROR experiment, in contrast, is a promising candidate for the determination of structurally relevant distance restraints. The applied tailored rf-irradiation schemes allow full control over the range of recoupled chemical shifts and efficiently drive spin diffusion. Here, the relevant relaxation time is the larger longitudinal relaxation time, which leads to a higher signal-to-noise ratio in the spectra.

  15. A new problem in the correlation of nuclear-spin relaxation and ionic conductivity in superionic glasses

    Science.gov (United States)

    Tatsumisago, M.; Angell, C. A.; Martin, S. W.

    1992-11-01

    Following the recent resolution of the longstanding problem of reconciling constant frequency nuclear-spin lattice relaxation (SLR) activation energies and d.c. conductivity activity energies in ion conducting glasses, we point out a new problem which seems not to have been discussed previously. We report conductivity data measured at a series of fixed frequencies and variable temperatures on a lithium chloroborate glass and compare them with SLR data on identically prepared samples, also using different fixed frequencies. While phenomenological similarities due to comparable departures from exponential relaxation are found in each case, pronounced differences in the most probable relaxation times themselves are observed. The conductivity relaxation at 500 K occurs on a time scale shorter by some 2 orders of magnitude than the 7Li SLR correlation, and has a significantly lower activation energy. We show from a literature review that this distinction is a common but unreported finding for highly decoupled (fast-ion conducting) systems, and that an inverse relationship is found in supercoupled salt/polymer ``solid'' electrolytes. In fast-ion conducting glasses, the slower SLR process would imply special features in the fast-ion motion which permit spin correlations to survive many more successive ion displacements than previously expected. It is conjectured that the SLR in superionic glasses depends on the existence of a class of low-lying traps infrequently visited by migrating ions.

  16. Contrast generation in the nuclear-spin tomography by pulsed ultrasound; Kontrasterzeugung in der Kernspintomographie durch gepulsten Ultraschall

    Energy Technology Data Exchange (ETDEWEB)

    Oehms, Ole Benjamin

    2009-07-10

    In the framework of this thesis a combined method of ultrasound and nuclear-spin tomography is presented. Via ultrasound pulses by the sound-radiation force in liquids and tissue phantoms motions are generated, which depend on ther viscoelastic properties. This motions are made visible by a motion-sensitive tomograph sequence in the phase image of the tomograph in form of a phase change. The first measurements on simple phantoms and liquids are presented. [German] Im Rahmen dieser Arbeit wird eine kombinierte Methode aus Ultraschall und Kernspintomographie vorgestellt. Ueber Ultraschallpulse werden durch die Schallstrahlungskraft in Fluessigkeiten und Gewebephantomen Bewegungen erzeugt, die von den viskoelastischen Eigenschaften abhaengen. Diese Bewegungen werden mit einer bewegungssensitiven Tomographensequenz im Phasenbild des Tomographen in Form einer Phasenaenderung sichtbar gemacht. Die ersten Messungen an einfachen Phantomen und Fluessigkeiten werden praesentiert. (orig.)

  17. Spin-lattice relaxation attenuation coefficients for on-line nuclear orientation experiments

    CERN Document Server

    Vénos, D; Severijns, N

    2003-01-01

    In on-line nuclear orientation experiments the relaxation process is of great importance. During implantation of the radioactive beam, the nuclear sublevel populations attain a secular equilibrium. For this case secular orientation parameters are introduced: B sublambda(sec)=rho sublambda B sublambda(th). Previously attenuation coefficients rho sublambda have already been tabulated, but only for lambda=2,4. In the last few years the number of nuclear orientation experiments in which beta or alpha particles are studied has increased. For these experiments the terms with lambda=1,3,6, and 8 are also necessary. Therefore, we have calculated the values of rho sublambda in full scope.

  18. Electron spin resonance and nuclear magnetic resonance of sodium macrostructures in strongly irradiated NaCl-K crystals: Manifestation of quasi-one-dimensional behavior of electrons

    NARCIS (Netherlands)

    Cherkasov, FG; Mustafin, RG; L'vov, SG; Denisenko, GA; den Hartog, HW; Vainshtein, D. I.

    1998-01-01

    Data from an investigation of electron spin resonance and nuclear magnetic resonance of NaCl-K (similar to 1 mole%) crystals strongly irradiated with electrons imply the observation of a metal-insulator transition with decreasing temperature and the manifestation of quasi-one-dimensional electron

  19. Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

    DEFF Research Database (Denmark)

    Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek

    2016-01-01

    corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the 4-component Dirac-Coulomb Hamiltonian using Dyall’s acv4z basis sets. The relativistic corrections to the nuclear magnetic...

  20. Thermal coupling in low fields between the nuclear and electronic spins in Tm2+ doped CaF2

    International Nuclear Information System (INIS)

    Urbina, Cristian.

    1977-01-01

    It is shown that in a CaF 2 crystal doped with divalent thulium ions there is in low fields, a thermal coupling between the electron magnetic moments of Tm 2+ and the nuclear moments of 19 F. When these ones have been lowered down to temperature through dynamical high-field polarization and adiabatic demagnetization in succession the resulting polarisation of the formed ones can overstep their original polarization in high field. A trial is given to explain this Zeeman electronic energy cooling through nuclear Zeeman energy with invoking a thermal coupling between both systems through the spin-spin electronic interaction but no theoretical model is developed in view of a quantitative explanation of the dynamics of such a process. The magnetic resonance spectrum of Tm 2 + in low field is also investigated: an important shift and narrowing of the electron resonance line in low field are obtained when 19 F nuclei are very cold. This special spectral characters are explained as due to magnetic interactions between electronic impurities and the neighbouring 19 F nuclei and a theoretical model is developed (based on the local Weiss field approximation) which explains rather well the changes in the spectral shift as a function of the 19 F nucleus temperature. A second theoretical model has also been developed in view of a quantitative explanation of both the narrowing and shift of the spectrum, but its prediction disagree with the experimental results. It is shown that in low fieldsx it is possible to get rid of paramagnetic impurities after they have been reused as reducing agents for 19 F nucleus entropy populating at about 80%, a non magnetic metastable state with these impurities [fr

  1. Spin-Mechatronics

    Science.gov (United States)

    Matsuo, Mamoru; Saitoh, Eiji; Maekawa, Sadamichi

    2017-01-01

    We investigate the interconversion phenomena between spin and mechanical angular momentum in moving objects. In particular, the recent results on spin manipulation and spin-current generation by mechanical motion are examined. In accelerating systems, spin-dependent gauge fields emerge, which enable the conversion from mechanical angular momentum into spins. Such a spin-mechanical effect is predicted by quantum theory in a non-inertial frame. Experiments which confirm the effect, i.e., the resonance frequency shift in nuclear magnetic resonance, the stray field measurement of rotating metals, and electric voltage generation in liquid metals, are discussed.

  2. Electron-nuclear spin dynamics of Ga centers in GaAsN dilute nitride semiconductors probed by pump-probe spectroscopy

    Science.gov (United States)

    Sandoval-Santana, J. C.; Ibarra-Sierra, V. G.; Azaizia, S.; Carrère, H.; Bakaleinikov, L. A.; Kalevich, V. K.; Ivchenko, E. L.; Marie, X.; Amand, T.; Balocchi, A.; Kunold, A.

    2018-03-01

    We propose an experimental procedure to track the evolution of electronic and nuclear spins in Ga2+ centers in GaAsN dilute semiconductors. The method is based on a pump-probe scheme that enables to monitor the time evolution of the three components of the electronic and nuclear spin variables. In contrast to other characterization methods, as nuclear magnetic resonance, this one only needs moderate magnetic fields (B≈ 10 mT), and does not require microwave irradiation. Specifically, we carry out a series of tests for different experimental conditions in order to optimize the procedure for maximum sensitivity in the measurement of the circular degree of polarization. Based on previous experimental results and the theoretical calculations presented here, we estimate that the method could yield a time resolution of about 10ps.

  3. Persistent Optical Nuclear Spin Narrowing in a Singly Charged InAs Quantum Dot

    Science.gov (United States)

    2012-02-01

    hole envelope wave function, Ah is the hyper- fine coupling constant, and c0 is the lattice parameter. Since the external magnetic field is in the x̂...February 2012 / J. Opt. Soc. Am. B A121 where γs (γt) is the spin (trion) dephasing rate, χ is half the pump Rabi frequency ΩR (ΩR # μEℏ , where μ is...probe ab- sorption at the dark state dip (αdip) and the Rabi sideband (αpeak): αdip # α0 χ2γs & γt$γ2s% χ4 & 2χ2γtγs & γ2t γ2s ; (11) αpeak # α0 χ2γs

  4. Effect of nuclear spin on chemical reactions and internal molecular rotation

    International Nuclear Information System (INIS)

    Sterna, L.L.

    1980-12-01

    Part I of this dissertation is a study of the magnetic isotope effect, and results are presented for the separation of 13 C and 12 C isotopes. Two models are included in the theoretical treatment of the effect. In the first model the spin states evolve quantum mechanically, and geminate recombination is calculated by numerically integrating the collision probability times the probability the radical pair is in a singlet state. In the second model the intersystem crossing is treated via first-order rate constants which are average values of the hyperfine couplings. Using these rate constants and hydrodynamic diffusion equations, an analytical solution, which accounts for all collisions, is obtained for the geminate recombination. The two reactions studied are photolysis of benzophenone and toluene and the photolytic decomposition of dibenzylketone (1,3-diphenyl-2-propanone). No magnetic isotope effect was observed in the benzophenone reaction. 13 C enrichment was observed for the dibenzylketone reaction, and this enrichment was substantially enhanced at intermediate viscosities and low temperatures. Part II of this dissertation is a presentation of theory and results for the use of Zeeman spin-lattice relaxation as a probe of methyl group rotation in the solid state. Experimental results are presented for the time and angular dependences of rotational polarization, the methyl group magnetic moment, and methyl-methyl steric interactions. The compounds studied are 2,6-dimethylphenol, methyl iodide, 1,4,5,8-tetramethylanthracene, 1,4,5,8-tetramethylnaphthalene, 1,2,4,5-tetramethylbenzene, and 2,3-dimethylmaleicanhydride

  5. Nuclear spin-lattice relaxation of Cu-62 at low temperatures in iron

    Czech Academy of Sciences Publication Activity Database

    Golovko, V. V.; Zákoucký, Dalibor; Srnka, Dušan; Honusek, Milan

    2006-01-01

    Roč. 74, č. 4 (2006), 044313 ISSN 0556-2813 R&D Projects: GA ČR GA202/02/0848 Institutional research plan: CEZ:AV0Z10480505 Keywords : orientation experiments * HPGE detectors * ionization Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 3.327, year: 2006

  6. Influence of intramolecular f-f interactions on nuclear spin driven quantum tunneling of magnetizations in quadruple-decker phthalocyanine complexes containing two terbium or dysprosium magnetic centers.

    Science.gov (United States)

    Fukuda, Takamitsu; Matsumura, Kazuya; Ishikawa, Naoto

    2013-10-10

    Nuclear spin driven quantum tunneling of magnetization (QTM) phenomena, which arise from admixture of more than two orthogonal electronic spin wave functions through the couplings with those of the nuclear spins, are one of the important magnetic relaxation processes in lanthanide single molecule magnets (SMMs) in the low temperature range. Although recent experimental studies have indicated that the presence of the intramolecular f-f interactions affects their magnetic relaxation processes, little attention has been given to their mechanisms and, to the best of our knowledge, no rational theoretical models have been proposed for the interpretations of how the nuclear spin driven QTMs are influenced by the f-f interactions. Since quadruple-decker phthalocyanine complexes with two terbium or dysprosium ions as the magnetic centers show moderate f-f interactions, these are appropriate to investigate the influence of the f-f interactions on the dynamic magnetic relaxation processes. In the present paper, a theoretical model including ligand field (LF) potentials, hyperfine, nuclear quadrupole, magnetic dipolar, and the Zeeman interactions has been constructed to understand the roles of the nuclear spins for the QTM processes, and the resultant Zeeman plots are obtained. The ac susceptibility measurements of the magnetically diluted quadruple-decker monoterbium and diterbium phthalocyanine complexes, [Tb-Y] and [Tb-Tb], have indicated that the presence of the f-f interactions suppresses the QTMs in the absence of the external magnetic field (H(dc)) being consistent with previous reports. On the contrary, the faster magnetic relaxation processes are observed for [Tb-Tb] than [Tb-Y] at H(dc) = 1000 Oe, clearly demonstrating that the QTMs are rather enhanced in the presence of the external magnetic field. Based on the calculated Zeeman diagrams, these observations can be attributed to the enhanced nuclear spin driven QTMs for [Tb-Tb]. At the H(dc) higher than 2000 Oe, the

  7. Electron spin resonance of Gd in the nuclear cooling agent: PrNi5 single crystals

    International Nuclear Information System (INIS)

    Levin, R.; Davidov, D.; Grayevsky, A.; Shaltiel, D.; Zevin, V.

    1980-01-01

    The ESR of Gd in single crystals of PrNi 5 is observed to exhibit significant angular dependence of the resonance position and linewidth at low temperatures. This is interpreted in terms of the axial spin Hamiltonian which takes the anisotropic susceptibility and the Gd-Pr exchange into consideration. From lineshape analysis the axial crystal field parameter and isotropic Gd-Pr exchange are derived. The Gd ESR linewidth increases with temperature; the thermal broadening is angularly dependent. This is similar to that observed for the Pr NMR in PrNi 5 single crystals. Both the NMR and ESR thermal broadenings are attributed to low-frequency fluctuations of the Pr ions induced by the Pr-Pr exchange coupling. A model for hexagonal Van-Vleck compounds is given and with the linewidth enables the Pr-Pr exchange coupling, under the assumption of a Gaussian or a Lorenzian distribution of the low-frequency fluctuation spectra, to be extracted. It is suggested that the angular dependence of the ESR thermal broadening is due to the Gd-Pr exchange coupling. (UK)

  8. Difusão de spins nucleares em meios porosos - uma abordagem computacional da RMN

    OpenAIRE

    Éverton Lucas-Oliveira

    2015-01-01

    A Ressonância Magnética Nuclear (RMN) é uma importante técnica empregada nas principais áreas de conhecimento, tais como, Física, Química e Medicina. Importantes trabalhos da RMN aplicada ao estudo da dinâmica de moléculas em fluidos presentes em meios porosos permitiram que esta técnica ganhasse também notoriedade na indústria do petróleo. O presente projeto é fundamentado em alguns destes trabalhos seminais, reproduzindo, através de modelos físico-computacionais, os principais efeitos físic...

  9. Spin-polarized 3He nuclear targets and metastable 4He atoms by optical pumping with a tunable, Nd:YAP laser

    International Nuclear Information System (INIS)

    Bohler, C.L.; Schearer, L.D.; Leduc, M.; Nacher, P.J.; Zachorowski, L.; Milner, R.G.; McKeown, R.D.; Woodward, C.E.

    1988-01-01

    Several Nd:YAP lasers were constructed which could be broadly tuned in the 1083-nm region which includes the helium 2 3 S-2 3 P transition, using a Lyot filter and thin, uncoated etalons within the laser cavity. 1 W of power could be extracted at 1083 nm through a 1% transmitting output coupler. This laser beam was used to optically pump metastable 4 He and 3 He 2 3 S helium atoms in a weak discharge cell, spin polarizing the metastable ensemble. In a 3 He cell the polarization is transferred to the nuclear spin system. A 3 He target cell at 0.3 Torr was polarized to 52% in a few minutes. We describe the application of this system to the design of polarized targets for experiments in nuclear physics

  10. Spin-engineered quantum dots

    OpenAIRE

    Fleurov, V.; Ivanov, V. A.; Peeters, F. M.; Vagner, I. D.

    2001-01-01

    Spatially nonhomogeneously spin polarized nuclei are proposed as a new mechanism to monitor electron states in a nanostructure, or as a means to createn and, if necessary, reshape such nanostructures in the course of the experiment. We found that a polarization of nulear spins may lift the spin polarization of the electron states in a nanostructure and, if sufficiently strong, leads to a polarization of the electron spins. Polarized nuclear spins may form an energy landscape capable of bindin...

  11. Development of Millimeter Wave Fabry-Pérot Resonator for Simultaneous Electron-Spin and Nuclear Magnetic Resonance Measurement

    Science.gov (United States)

    Ishikawa, Yuya; Ohya, Kenta; Fujii, Yutaka; Fukuda, Akira; Miura, Shunsuke; Mitsudo, Seitaro; Yamamori, Hidetomo; Kikuchi, Hikomitsu

    2018-04-01

    We report a Fabry-Pérot resonator with spherical and flat mirrors to allow simultaneous electron-spin resonance (ESR) and nuclear magnetic resonance (NMR) measurements that could be used for double magnetic resonance (DoMR). In order to perform simultaneous ESR and NMR measurements, the flat mirror must reflect millimeter wavelength electromagnetic waves and the resonator must have a high Q value ( Q > 3000) for ESR frequencies, while the mirror must simultaneously let NMR frequencies pass through. This requirement can be achieved by exploiting the difference of skin depth for the two frequencies, since skin depth is inversely proportional to the square root of the frequency. In consideration of the skin depth, the optimum conditions for conducting ESR and NMR using a gold thin film are explored by examining the relation between the Q value and the film thickness. A flat mirror with a gold thin film was fabricated by sputtering gold on an epoxy plate. We also installed a Helmholtz radio frequency coil for NMR and tested the system both at room and low temperatures with an optimally thick gold film. As a result, signals were obtained at 0.18 K for ESR and at 1.3 K for NMR. A flat-mirrored resonator with a thin gold film surface is an effective way to locate NMR coils closer to the sample being examined with DoMR.

  12. Anomalous 125Te Nuclear Spin Relaxation Coincident with Charge Kondo Behavior in Superconducting Pb1-xTlxTe

    Science.gov (United States)

    Mukuda, Hidekazu; Matsumura, Takashi; Maki, Shota; Yashima, Mitsuharu; Kitaoka, Yoshio; Miyake, Kazumasa; Murakami, Hironaru; Giraldo-Gallo, Paula; Geball, Theodore H.; Fisher, Ian R.

    2018-02-01

    We report the results of a 125Te NMR study of single crystalline Pb1-xTlxTe (x = 0, 0.35, 1.0%) as a window on the novel electronic states associated with the thallium impurities in PbTe. The Knight shift is enhanced as x increases, corresponding to an increase in the average density of states (DOS) coupled to a strong spatial variation in the local DOS surrounding each Tl dopant. Remarkably, for the superconducting composition (x = 1.0%), the 125Te nuclear spin relaxation rate (1/T1T) for Te ions that are close to the Tl dopants is unexpectedly enhanced in the normal state below a characteristic temperature of ˜10 K, below which the resistivity experiences an upturn. Such a simultaneous upturn in both the resistivity and (1/T1T) was not suppressed in the high magnetic field. We suggest that these observations are consistently accounted for by dynamical charge fluctuations in the absence of paramagnetism, which is anticipated by the charge Kondo scenario associated with the Tl dopants. In contrast, such anomalies were not detected in the non-superconducting samples (x = 0 and 0.35%), suggesting a connection between dynamical valence fluctuations and the occurrence of superconductivity in Pb1-xTlxTe.

  13. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV.

  14. Near-Surface Structural Phase Transition of SrTiO3 Studied with Zero-Field β-Detected Nuclear Spin Relaxation and Resonance

    Science.gov (United States)

    Salman, Z.; Kiefl, R. F.; Chow, K. H.; Hossain, M. D.; Keeler, T. A.; Kreitzman, S. R.; Levy, C. D. P.; Miller, R. I.; Parolin, T. J.; Pearson, M. R.; Saadaoui, H.; Schultz, J. D.; Smadella, M.; Wang, D.; Macfarlane, W. A.

    2006-04-01

    We demonstrate that zero-field β-detected nuclear quadrupole resonance and spin relaxation of low energy Li8 can be used as a sensitive local probe of structural phase transitions near a surface. We find that the transition near the surface of a SrTiO3 single crystal occurs at Tc˜150K, i.e., ˜45K higher than Tcbulk, and that the tetragonal domains formed below Tc are randomly oriented.

  15. Recycling of radioactively contaminated scrap from the nuclear cycle and spin-off for other application

    Directory of Open Access Journals (Sweden)

    Quade, U.

    2005-12-01

    Full Text Available In the 1980ies, Siempelkamp foundry in Krefeld, Germany, developed a process to melt medium and slightly radioactive metals from decommissioning and maintenance works in nuclear power plants. Since 1989, in the CARLA melting plant which is licensed according to the German radiation protection ordinance (StrlSchV, metals are being molten which, for the largest part, can be reused. Since 1998, in a second plant, the GERTA melting plant, metals with a content of mercury up to 1 weight %, natural radioactivity up to 500 Bq/g and other chemical contaminations are being molten and completely decontaminated, so that these metals can be reused in the steel cycle. The following text is describing the melting process, acceptance criteria for contaminated scrap and recycling paths for the produced ingots and slags.

    La fundición Siempelkamp en Krefeld, Alemania, desarrolló, en los años 80, un proceso para fundir metales mediana y levemente radioactivos, procedentes de reparaciones o desmantelamiento de plantas nucleares. En la planta de fundición CARLA, que cumple los requisitos del decreto de protección contra radiaciones de la República Federal de Alemania, se funden metales desde 1989, de los cuales la mayor parte puede ser utilizada nuevamente. Desde 1998, en una segunda planta, fundición GERTA, se funden y descontaminan totalmente, metales de hasta un 1 % de peso de mercurio, con una radioactividad natural de hasta 500 Bq/g y con otros contaminantes químicos. De este modo los metales pueden ser nuevamente utilizados en el ciclo metálico. El texto adjunto describe el método para el fundido, los criterios para aceptar chatarra contaminada y las vías de utilización para los bloques de metal y escorias generadas en el proceso.

  16. Effects of strain and quantum confinement in optically pumped nuclear magnetic resonance in GaAs: Interpretation guided by spin-dependent band structure calculations

    Science.gov (United States)

    Wood, R. M.; Saha, D.; McCarthy, L. A.; Tokarski, J. T.; Sanders, G. D.; Kuhns, P. L.; McGill, S. A.; Reyes, A. P.; Reno, J. L.; Stanton, C. J.; Bowers, C. R.

    2014-10-01

    A combined experimental-theoretical study of optically pumped nuclear magnetic resonance (OPNMR) has been performed in a GaAs /A l0.1G a0.9As quantum well film epoxy bonded to a Si substrate with thermally induced biaxial strain. The photon energy dependence of the Ga OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from the electronic structure and differential absorption to spin-up and spin-down states of the electron conduction band using a modified k .p model based on the Pidgeon-Brown model. Comparison of theory with experiment facilitated the assignment of features in the OPNMR energy dependence to specific interband Landau level transitions. The results provide insight into how effects of strain and quantum confinement are manifested in optical nuclear polarization in semiconductors.

  17. Characterization of Chemical Exchange Using Relaxation Dispersion of Hyperpolarized Nuclear Spins.

    Science.gov (United States)

    Liu, Mengxiao; Kim, Yaewon; Hilty, Christian

    2017-09-05

    Chemical exchange phenomena are ubiquitous in macromolecules, which undergo conformational change or ligand complexation. NMR relaxation dispersion (RD) spectroscopy based on a Carr-Purcell-Meiboom-Gill pulse sequence is widely applied to identify the exchange and measure the lifetime of intermediate states on the millisecond time scale. Advances in hyperpolarization methods improve the applicability of NMR spectroscopy when rapid acquisitions or low concentrations are required, through an increase in signal strength by several orders of magnitude. Here, we demonstrate the measurement of chemical exchange from a single aliquot of a ligand hyperpolarized by dissolution dynamic nuclear polarization (D-DNP). Transverse relaxation rates are measured simultaneously at different pulsing delays by dual-channel 19 F NMR spectroscopy. This two-point measurement is shown to allow the determination of the exchange term in the relaxation rate expression. For the ligand 4-(trifluoromethyl)benzene-1-carboximidamide binding to the protein trypsin, the exchange term is found to be equal within error limits in neutral and acidic environments from D-DNP NMR spectroscopy, corresponding to a pre-equilibrium of trypsin deprotonation. This finding illustrates the capability for determination of binding mechanisms using D-DNP RD. Taking advantage of hyperpolarization, the ligand concentration in the exchange measurements can reach on the order of tens of μM and protein concentration can be below 1 μM, i.e., conditions typically accessible in drug discovery.

  18. Design of a triple resonance magic angle sample spinning probe for high field solid state nuclear magnetic resonance

    Science.gov (United States)

    Martin, Rachel W.; Paulson, Eric K.; Zilm, Kurt W.

    2003-06-01

    Standard design and construction practices used in building nuclear magnetic resonance (NMR) probes for the study of solid state samples become difficult if not entirely impractical to implement as the 1H resonance frequency approaches the self resonance frequency of commercial capacitors. We describe an approach that utilizes short variable transmission line segments as tunable reactances. Such an approach effectively controls stray reactances and provides a higher Q alternative to ceramic chip capacitors. The particular probe described is built to accommodate a 2.5 mm magic angle spinning rotor system, and is triply tuned to 13C, 15N, and 1H frequencies for use at 18.8 T (200, 80, and 800 MHz, respectively). Isolation of the three radio frequency (rf) channels is achieved using both a rejection trap and a transmission line notch filter. The compact geometry of this design allows three channels with high power handling capability to fit in a medium bore (63 mm) magnet. Extended time variable temperature operation is integral to the mechanical design, enabling the temperature control necessary for investigation of biological macromolecules. Accurate measurement of the air temperature near the sample rotor is achieved using a fiber optic thermometer, which does not interfere with the rf electronics. We also demonstrate that acceptable line shapes are only readily achieved using zero magnetic susceptibility wire in construction of the sample coil. Computer simulation of the circuit aided in the physical design of the probe. Representative data illustrating the efficiency, rf homogeneity, and signal to noise factor of the probe are presented.

  19. A study on the improvement of spin-off effectiveness of national nuclear R and D activities

    International Nuclear Information System (INIS)

    Yang, Maeng Ho; Lee, T. J.

    1997-02-01

    This study consists of two parts. One is to identify factors affecting technological effectiveness of the spin-off process that is defined as the technology transfer process from government sponsored research institutes (GRI's) to the civilian sector. The other is to analyze the environment of the spin-off process and to suggest guidelines for addition, this study also examines spin-off effectiveness with technology transfer types. To validate the conceptual model and hypotheses of the spin-off process, data are collected from 12 cases through in-depth interviews and questionnaires. Spearman correlation analysis is employed in order to test the hypotheses on the spin-off process. (author). 50 refs., 17 tabs., 12 figs

  20. Nuclear spin relaxation of 8Li in a thin film of La 0.67Ca 0.33MnO 3

    Science.gov (United States)

    Miller, R. I.; Arseneau, D.; Chow, K. H.; Daviel, S.; Engelbertz, A.; Hossain, MD.; Keeler, T.; Kiefl, R. F.; Kreitzman, S.; Levy, C. D. P.; Morales, P.; Morris, G. D.; MacFarlane, W. A.; Parolin, T. J.; Poutissou, R.; Saadaoui, H.; Salman, Z.; Wang, D.; Wei, J. Y. T.

    2006-03-01

    We report β-NMR measurements of the nuclear spin relaxation rate (1/T1) in a thin film of La 0.67Ca 0.33MnO 3 (LCMO) using a low-energy beam of spin-polarized 8Li. In a small magnetic field of 150 G, there is a broad peak in 1/T1 near the Curie temperature (Tc=259 K) and a dramatic decrease in 1/T1 at lower temperatures. This is attributed to a critical slowing down of the spin fluctuations near Tc and freezing of the magnetic excitations at low temperatures, respectively. In addition, there is a small amplitude, slow relaxing component at high temperatures, which we attribute to 8Li in the SrTiO 3 substrate. There is an indication that the spin relaxation rate in the substrate is also peaked at Tc due to close proximity to the magnetic film. These results establish that low-energy β-NMR can be used as a probe of magnetic fluctuations in magnetic thin films over a wide range of temperatures.

  1. Nuclear moments, spins and charge radii of copper isotopes from N=28 to N=50 by collinear fast-beam laser spectroscopy

    CERN Document Server

    2002-01-01

    We aim at establishing an unambiguous spin determination of the ground and isomeric states in the neutron rich Cu-isotopes from A=72 up to A=78 and to measure the magnetic and quadrupole moments between the N=28 and N=50 shell closures. This study will provide information on the double-magicity of $^{56}$Ni and $^{78}$Ni, both at the extremes of nuclear stability. It will provide evidence on the suggested inversion of ground state spin around A$\\approx$74, due to the monopole migration of the $\\pi f_{5/2}$ level. The collinear laser spectroscopy technique will be used, which furthermore provides information on the changes in mean square charge radii between both neutron shell closures, probing a possible onset of deformation in this region.

  2. Nuclear spin dynamics in solid {sup 3}He at ultralow temperatures; Kernspindynamik in festem {sup 3}He bei ultratiefen Temperaturen

    Energy Technology Data Exchange (ETDEWEB)

    Kath, Matthias

    2009-11-06

    In this thesis the experimental study of the spin dynamics of solid {sup 3}He is described. By means of magnetization measurements above 3 mK a Curie-Weiss behaviour was found with {theta}{sub W}{approx}2.1 mK and by this an order parameter of J={theta}{sub W}k{sub B}/{approx}-0.5 Kk{sub B} was observed, while in the range of 1 to 3 mK a pure Curie behaviour was found. By means of NMR measurements the values of {tau}{sub 1}(6 mK)=240 ms{+-}12 ms and {tau}{sub 1}(1 mK){approx} 40 ms were determined, while spin-echo measurements yielded the spin-spin relaxation time {tau}{sub 2}(6 mK)=4540 {mu}s{+-}140 {mu}s. Furthermore neutron scattering studies were performed. (HSI)

  3. Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.

    Science.gov (United States)

    Chang, Zhiwei; Halle, Bertil

    2016-02-28

    In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

  4. Mapping protein–protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Changmiao; Hou, Guangjin, E-mail: hou@udel.edu; Lu, Xingyu; Polenova, Tatyana, E-mail: tpolenov@udel.edu [University of Delaware, Department of Chemistry and Biochemistry (United States)

    2017-02-15

    REDOR-based experiments with simultaneous {sup 1}H–{sup 13}C and {sup 1}H−{sup 15}N dipolar dephasing are explored for investigating intermolecular protein–protein interfaces in complexes formed by a U–{sup 13}C,{sup 15}N-labeled protein and its natural abundance binding partner. The application of a double-REDOR filter (dREDOR) results in a complete dephasing of proton magnetization in the U–{sup 13}C,{sup 15}N-enriched molecule while the proton magnetization of the unlabeled binding partner is not dephased. This retained proton magnetization is then transferred across the intermolecular interface by {sup 1}H–{sup 13}C or {sup 1}H–{sup 15}N cross polarization, permitting to establish the residues of the U–{sup 13}C,{sup 15}N-labeled protein, which constitute the binding interface. To assign the interface residues, this dREDOR-CPMAS element is incorporated as a building block into {sup 13}C–{sup 13}C correlation experiments. We established the validity of this approach on U–{sup 13}C,{sup 15}N-histidine and on a structurally characterized complex of dynactin’s U–{sup 13}C,{sup 15}N-CAP-Gly domain with end-binding protein 1 (EB1). The approach introduced here is broadly applicable to the analysis of intermolecular interfaces when one of the binding partners in a complex cannot be isotopically labeled.

  5. Nuclear Spin Relaxation

    Indian Academy of Sciences (India)

    IAS Admin

    Nuclei occur in many different species, called nuclides, which are defined by the numbers of protons and neutrons they contain. The chemical nature of an atom is defined by the number of protons in its nucleus. For example, all atoms of carbon have six protons in the nucleus, and all atoms of hydrogen have a single proton ...

  6. Near-surface structural phase transition of SrTiO3 studied with zero-field beta-detected nuclear spin relaxation and resonance.

    Science.gov (United States)

    Salman, Z; Kiefl, R F; Chow, K H; Hossain, M D; Keeler, T A; Kreitzman, S R; Levy, C D P; Miller, R I; Parolin, T J; Pearson, M R; Saadaoui, H; Schultz, J D; Smadella, M; Wang, D; MacFarlane, W A

    2006-04-14

    We demonstrate that zero-field beta-detected nuclear quadrupole resonance and spin relaxation of low energy (8)Li can be used as a sensitive local probe of structural phase transitions near a surface. We find that the transition near the surface of a SrTiO(3) single crystal occurs at T(c) approximately 150K, i.e., approximately 45K higher than T(c)bulk, and that the tetragonal domains formed below T(c) are randomly oriented.

  7. Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

    Energy Technology Data Exchange (ETDEWEB)

    Lafon, Olivier [Universite de Lille Nord de France; Thankamony, Aany S. Lilly [Universite de Lille Nord de France; Kokayashi, Takeshi [Ames Laboratory; Carnevale, Diego [Ecole Polytechnique Federale de Lausanne; Vitzthum, Veronika [Ecole Polytechnique Federale de Lausanne; Slowing, Igor I. [Ames Laboratory; Kandel, Kapil [Ames Laboratory; Vezin, Herve [Universite de Lille Nord de France; Amoureux, Jean-Paul [Universite de Lille Nord de France; Bodenhausen, Geoffrey [Ecole Polytechnique Federale de Lausanne; Pruski, Marek [Ames Laboratory

    2012-12-21

    We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H–1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements εon/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to εon/off ≈ 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.

  8. Nuclear spin Hall and Klein tunneling effects during oxidation with electric and magnetic field inductions in graphene.

    Science.gov (United States)

    Little, Reginald B; McClary, Felicia; Rice, Bria; Jackman, Corine; Mitchell, James W

    2012-12-14

    The recent observation of the explosive oxidation of graphene with enhancement for decreasing temperature and the requirements for synchronizing oxidants for collective oxidation-reduction (redox) reactions presented a chemical scenario for the thermal harvesting by the magnetic spin Hall Effect. More experimental data are presented to demonstrate such spin Hall Effect by determining the influence of spins of so-called spectator fermionic cations. Furthermore, the so-called spectator bosonic cations are discovered to cause a Klein tunneling effect during the redox reaction of graphene. The Na(+) and K(+), fermionic cations and the Mg(2+) and Ca(2+), bosonic cations were observed and compared under a variety of experimental conditions: adiabatic reactions with initial temperatures (18-22 °C); reactions toward infinite dilution; isothermal reactions under nonadiabatic conditions at low temperature of 18 °C; reactions under paramagnetic O(2) or diamagnetic N(2) atmospheres of different permeabilities; reactions in applied and no applied external magnetic field; and reactions toward excess concentrations of common and uncommon Na(+) and Mg(2+) cations. The observed reaction kinetics and dynamics under these various, diverse conditions are consistent with the spin Hall mechanism, energy harvesting and short time violation of Second Law of Thermodynamics for redox reactions of graphene by the Na(+)K(+) mixture and are consistent with the Klein tunnel mechanism for the redox reactions of graphene by the Mg(2+)Ca(2+) mixture. Mixed spin Hall and Klein tunnel mechanisms are discovered to slow and modulate explosive redox reactions. Such spin Hall Effect also gives explanation of recent tunneling of electrons through boron nitride.

  9. Nuclear magnetic resonance in high magnetic fields: Study of singlet-ground-state due to 1-D quantum spin effect

    Science.gov (United States)

    Chiba, Meiro; Ajiro, Yoshitami; Satoh, Eiji; Kubo, Takeji

    1996-02-01

    In one-dimensional (1-D) magnets the singlet-ground-state (SGS) due to the quantum spin effect is one of the most interesting phenomena. The temperature and the field dependences of the proton spin-lattice relaxation under magnetic fields up to 15 T have been observed for SGS materials, namely, NENP (Haldane system) and CuCI 2(γ-picoline) 2 (alternating antiferromagnetic chain). The results clearly show the excitation of SGS with a characteristic energy gap in the magnetic excited state. The observed relaxation rate is discussed in terms of the number of magnetic excitons in focussing on the dissimilarity between two systems.

  10. Study of hydrogen in coals, polymers, oxides, and muscle water by nuclear magnetic resonance; extension of solid-state high-resolution techniques. [Hydrogen molybdenum bronze

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, L.M.

    1981-10-01

    Nuclear magnetic resonance (NMR) spectroscopy has been an important analytical and physical research tool for several decades. One area of NMR which has undergone considerable development in recent years is high resolution NMR of solids. In particular, high resolution solid state /sup 13/C NMR spectra exhibiting features similar to those observed in liquids are currently achievable using sophisticated pulse techniques. The work described in this thesis develops analogous methods for high resolution /sup 1/H NMR of rigid solids. Applications include characterization of hydrogen aromaticities in fossil fuels, and studies of hydrogen in oxides and bound water in muscle.

  11. Supra-molecular structure and chemical reactivity of cellulose I studied using CP/MAS (sup)13 C-NMR

    CSIR Research Space (South Africa)

    Chunilall, Viren

    2013-08-01

    Full Text Available medium, provided the original work is properly cited. Supra-Molecular Structure and Chemical Reactivity of Cellulose I Studied Using CP/MAS 13C-NMR Viren Chunilall, Tamara Bush and Per Tomas Larsson Additional information is available at the end... can be used in the production of many different types and qualities of pulp samples for a broad range of applications. The sulphite process can be categorised according to the pH into four different types of pulping namely Acid bi-sulphite, Bi...

  12. Leucine kinetics from (2H3)- and ( sup 13 C)leucine infused simultaneously by gut and vein

    Energy Technology Data Exchange (ETDEWEB)

    Hoerr, R.A.; Matthews, D.E.; Bier, D.M.; Young, V.R. (Massachusetts Institute of Technology, Cambridge (USA))

    1991-01-01

    In amino acid tracer kinetic studies of the fed state, ingested amino acid may be taken up during its initial transit through splanchnic tissues and thus not enter the plasma compartment where tracer is infused. To investigate this possibility, adult human subjects received simultaneous intravenous (iv) and intragastric (ig) leucine tracer infusions, first during a postabsorptive (PA) 4-h primed continuous ig infusion of L-(1-13C)-leucine and L-(5,5,5-2H3)leucine iv, followed on a separate day by a fed infusion, in which an ig infusion of a liquid formula was started 2 h before the tracer infusion and continued throughout the tracer study. Subjects were accustomed to a constant experimental diet supplying 1.5 g protein.kg-1.day-1 and 41-45 kcal.kg-1.day-1 for 7 and 12 days before the PA and fed studies, respectively. For the PA study, plasma enrichment for the ig tracer was 3.34 +/- 0.27 (SE) mol + excess and for the iv tracer it was 4.18 +/- 0.10 (P less than 0.02). Enrichments of alpha-keto-isocaproic acid (KIC) were 3.24 +/- 0.16 (ig) and 3.02 +/- 0.14 (iv), respectively (not significant (NS)). For the fed study, plasma leucine enrichment for the ig tracer was 2.15 +/- 0.14 and for the iv tracer was 2.84 +/- 0.09 (P less than 0.02). KIC enrichments were 2.02 +/- 0.08 (ig) and 2.24 +/- 0.08 (iv), respectively (NS). In the PA study, the ratio of the plasma leucine enrichments for the ig and iv tracers was 0.80 +/- 0.06 and in the fed experiment, 0.76 +/- 0.05, respectively.

  13. Characterization of Czechoslovak coals from Ostrava-Karvina basin by means of solid state nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Panek, P.; Scheler, G.; Neiser, J. (Pedagogical Faculty Ostrava, Ostrava (Czechoslovakia). Dept. of Chemistry)

    1990-07-01

    In this study coals from the Ostrava-Karvina basin, and their products obtained by extraction using quinoline, were examined. Solid state {sup 1}H n.m.r. spectroscopy, employing magic-angle spinning (MAS) and multiple-pulse sequences (BR-24) at 270 MHz gave spectra of coals and coal-derived solids in which aromatic and aliphatic hydrogens were resolved. Solid state {sup 13}C n.m.r. spectra were measured using cross polarization (CP) in conjunction with dipolar decouping (DD) and magic-angle spinning (MAS) at 15.09 MHz. Structural parameters were calculated using modified Brown-Ladner equations, and significant differences could be observed. 18 refs., 5 figs., 5 tabs.

  14. Measuring the spin polarization of alkali-metal atoms using nuclear magnetic resonance frequency shifts of noble gases

    Directory of Open Access Journals (Sweden)

    X. H. Liu

    2015-10-01

    Full Text Available We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of 87Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the 87Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the 87Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system.

  15. Spin current

    CERN Document Server

    Valenzuela, Sergio O; Saitoh, Eiji; Kimura, Takashi

    2012-01-01

    In a new branch of physics and technology called spin-electronics or spintronics, the flow of electrical charge (usual current) as well as the flow of electron spin, the so-called 'spin current', are manipulated and controlled together. This book provides an introduction and guide to the new physics and application of spin current.

  16. Two methods for nuclear spin determination in collinear laser spectroscopy: classical r.f. magnetic resonance and observation of the Larmor precession

    International Nuclear Information System (INIS)

    Bendali, N.; Duong, H.T.; Saint-Jalm, J.M.; Vialle, J.L.

    1984-01-01

    Measurement of nuclear spin in the collinear laser spectroscopy method has been investigated using a fast sodium atomic beam excited collinearly by a C.W. single mode dye laser beam. The atomic magnetic moments are first aligned by optical pumping process, then they interact with a static magnetic field H 0 . The magnetic alignment of the atomic system just at the exit of the magnetic field is monitored by the laser induced fluorescence. Upon varying the amplitude of H 0 , the fluorescence signal presents a fringed structure. This structure is due to the Larmor precession of the aligned magnetic moments around H 0 , and therefore it is a signature of the spin involved. The modulation patterns corresponding to different relative orientations of H 0 and light polarization direction, are fitted by an analytical formula. In a second step, a classical magnetic resonance experiment with a static magnetic field and a radiofrequency field has been performed. The monocinetic character of our fast atomic beam allowed us to observe, even at high r.f. power, resonances line shapes in agreement with the Majorana formula

  17. Towards real-time metabolic profiling of a biopsy specimen during a surgical operation by 1H high resolution magic angle spinning nuclear magnetic resonance: a case report

    Directory of Open Access Journals (Sweden)

    Piotto Martial

    2012-01-01

    Full Text Available Abstract Introduction Providing information on cancerous tissue samples during a surgical operation can help surgeons delineate the limits of a tumoral invasion more reliably. Here, we describe the use of metabolic profiling of a colon biopsy specimen by high resolution magic angle spinning nuclear magnetic resonance spectroscopy to evaluate tumoral invasion during a simulated surgical operation. Case presentation Biopsy specimens (n = 9 originating from the excised right colon of a 66-year-old Caucasian women with an adenocarcinoma were automatically analyzed using a previously built statistical model. Conclusions Metabolic profiling results were in full agreement with those of a histopathological analysis. The time-response of the technique is sufficiently fast for it to be used effectively during a real operation (17 min/sample. Metabolic profiling has the potential to become a method to rapidly characterize cancerous biopsies in the operation theater.

  18. Crocus sativus Petals: Waste or Valuable Resource? The Answer of High-Resolution and High-Resolution Magic Angle Spinning Nuclear Magnetic Resonance.

    Science.gov (United States)

    Righi, Valeria; Parenti, Francesca; Tugnoli, Vitaliano; Schenetti, Luisa; Mucci, Adele

    2015-09-30

    Intact Crocus sativus petals were studied for the first time by high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy, revealing the presence of kinsenoside (2) and goodyeroside A (3), together with 3-hydroxy-γ-butyrolactone (4). These findings were confirmed by HR-NMR analysis of the ethanol extract of fresh petals and showed that, even though carried out rapidly, partial hydrolysis of glucopyranosyloxybutanolides occurs during extraction. On the other hand, kaempferol 3-O-sophoroside (1), which is "NMR-silent" in intact petals, is present in extracts. These results suggest to evaluate the utilization of saffron petals for phytopharmaceutical and nutraceutical purposes to exploit a waste product of massive production of commercial saffron and point to the application of HR-MAS NMR for monitoring bioactive compounds directly on intact petals, avoiding the extraction procedure and the consequent hydrolysis reaction.

  19. Structural analysis of mixed alkali borosilicate glasses containing Cs+ and Na+ using strong magnetic field magic angle spinning nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    S. Kaneko

    2017-03-01

    Full Text Available We have investigated the local structure of alkali atoms in mixed alkali silicate, borate, and borosilicate glasses, which contain Cs+ and Na+, using strong magnetic field magic angle spinning nuclear magnetic resonance (MAS NMR spectroscopy of 133Cs and 23Na. The spectral peaks of 133Cs in borosilicate (Si:B = 1:1 and Si-rich borosilicate (Si:B = 2:1 glasses shifted to upfield with increasing Cs+/(Na+ + Cs+ ratio, which implies that the coordination number of Cs+ decreased as in the case of silicate and borate glasses. However, this trend was not observed in the 23Na spectra of either borosilicate glass. This might be because the chemical shift of 23Na in borosilicate glass is strongly affected by nearby species such as Si or B, and not by the coordination number of Na+.

  20. Contribution to the evaluation of safety of software used in command control systems in nuclear plants: application to the SPIN N4

    International Nuclear Information System (INIS)

    Soubies, B.; Boulc'h, J.; Elsensohn, O.; Le Meur, M.; Henry, J.Y.

    1994-06-01

    The licensing procedures process of nuclear plants features compulsory steps which bring about a thorough exam of the commands control system. This analysis accounts for the aspects linked to technologies (integrated circuits, software packages) which have been chosen by the manufacturer for the programmed systems in charge of safety functions. Important innovations have been introduced in terms of design and manufacturing processes of safety systems of 1400 MWe pressurized water reactors, more precisely for the integrated numerical protection system (SPIN). The methodology used by the IPSN for the exam of the software of this system is presented in the communication. This methodology leads the IPSN to carry out studies and developments of tools keeping in sight as their main goal to bring substantial help to analysis. (authors). 2 refs

  1. High-pressure, high-temperature magic angle spinning nuclear magnetic resonance devices and processes for making and using same

    Science.gov (United States)

    Hu, Jian Zhi; Hu, Mary Y.; Townsend, Mark R.; Lercher, Johannes A.; Peden, Charles H. F.

    2015-10-06

    Re-usable ceramic magic angle spinning (MAS) NMR rotors constructed of high-mechanic strength ceramics are detailed that include a sample compartment that maintains high pressures up to at least about 200 atmospheres (atm) and high temperatures up to about least about 300.degree. C. during operation. The rotor designs minimize pressure losses stemming from penetration over an extended period of time. The present invention makes possible a variety of in-situ high pressure, high temperature MAS NMR experiments not previously achieved in the prior art.

  2. Nuclear inelastic scattering and density functional theory studies of a one-dimensional spin crossover [Fe(1,2,4-triazole)2(1,2,4-triazolato)](BF4) molecular chain.

    Science.gov (United States)

    Jenni, Kevin; Scherthan, Lena; Faus, Isabelle; Marx, Jennifer; Strohm, Cornelius; Herlitschke, Marcus; Wille, Hans-Christian; Würtz, Peter; Schünemann, Volker; Wolny, Juliusz A

    2017-07-26

    Nuclear inelastic scattering (NIS) experiments have been performed in order to study the vibrational dynamics of the low- and high-spin states of the polynuclear 1D spin crossover compound [Fe(1,2,4-triazole) 2 (1,2,4-triazolato)](BF 4 ) (1). Density functional theory (DFT) calculations using the functional B3LYP* and the basis set CEP-31G for heptameric and nonameric models of the compound yielded the normal vibrations and electronic energies for high-spin and low-spin isomers of three models differing in the distribution of anionic trz - ligands and BF 4 - anions. On the basis of the obtained energies a structural model with a centrosymmetric Fe(trzH) 4 (trz - ) 2 coordination core of the mononuclear unit of the chain is proposed. The obtained distribution of the BF 4 - counteranions in the proposed structure is similar to that obtained on the basis of X-ray powder diffraction studies by Grossjean et al. (Eur. J. Inorg. Chem., 2013, 796). The NIS data of the system diluted to 10% Fe(ii) content in a 90% Zn(ii) matrix (compound (2)) show a characteristic change of the spectral pattern of the low-spin centres, compared to the low-spin phase of the parent Fe(ii) complex (1). DFT calculations reveal that this is caused by a change of the structure of the neighbours of the low-spin centres. The spectral pattern of the high-spin centres in (2) is within a good approximation identical to that of the high-spin Fe(ii) isomer of (1). The inspection of the molecular orbitals of the monomeric model systems of [Fe(trzH) 4 (trz - ) 2 ] and [Fe(trzH) 6 ], together with calculations of spin transition energies, point towards the importance of an electrostatic effect caused by the negatively charged ligands. This results in the stabilisation of the low-spin state of the complex containing the anionic ligand and shortening of the Fe-N(trz - ) compared to the Fe-N(trzH) bond in high-spin, but not in low-spin [Fe(trzH) 4 (trz - ) 2 ].

  3. Nuclear magnetic resonance of organofluorine compounds: a challenge in the teaching of spectroscopy; Ressonância magnética nuclear de substâncias organofluoradas: um desafio no ensino de espectroscopia

    Energy Technology Data Exchange (ETDEWEB)

    Branco, Frederico Silva Castelo; Boechat, Núbia [Instituto de Tecnologia de Fármacos, Fundação Oswaldo Cruz, Farmanguinhos - Fiocruz, Rio de Janeiro – RJ (Brazil); Silva, Bárbara V.; Rio, Gabriel Freitas do; Pinto, Angelo C. [Instituto de Química, Universidade Federal do Rio de Janeiro, RJ (Brazil); Santana, Mábio João; Queiroz Júnior, Luiz Henrique Keng; Lião, Luciano Morais, E-mail: lucianoliao@ufg.br [Instituto de Química, Universidade Federal de Goiás, GO (Brazil)

    2015-11-15

    Nuclear magnetic resonance is a technique that is widely used for elucidating and characterizing organic substances. Organofluorine substances have applications in many areas from drugs to liquid crystals, but their NMR spectra are often challenging due to fluoride coupling with other nuclei. For this reason, NMR spectra of this class of substances are not commonly covered in undergraduate and graduate chemistry courses and related fields. Thus, the aim of this work was the presentation and discussion of {sup 1}H, {sup 13}C, and {sup 19}F NMR spectra of eleven organofluorine substances which, in the case of {sup 1}H and {sup 13}C nuclei, showed classic patterns of first-order coupling and the effects of the fluorine nucleus in different chemical and magnetic environments. In addition, the observation of long distance coupling constants was possible through the use of apodization functions in the processing of the spectra. It is expected that the examples presented herein can be utilized and discussed in undergraduate and graduate NMR spectroscopy disciplines and thus improve the teaching and future research of organofluorine compounds. (author)

  4. Limitations of optically pumped spin-exchange-polarized targets

    Science.gov (United States)

    Walker, T.; Anderson, L. W.

    1993-12-01

    The effects of spin-exchange collisions on the polarization of dense spin-polarized samples of hydrogen and deuterium are analyzed. It is shown that even in large magnetic fields spin-exchange collisions transfer angular momentum between the electrons and the nuclei. This effect has important implications for the operation of spin-polarized targets and sources of hydrogen and deuterium. For the specific case of sources that are spin-polarized by spin-exchange collisions with optically pumped alkali atoms, spin-exchange not only polarizes the hydrogen and deuterium electron spins, but polarizes the nuclear spins as well.

  5. Photoinduced nuclear spin conversion of methyl groups of single molecules; Photoinduzierte Kernspinkonversion von Methylgruppen an einzelnen Molekuelen. Lochbrenn- und Einzelmolekuelspektroskopie an Terrylen und Methylderivaten

    Energy Technology Data Exchange (ETDEWEB)

    Sigl, A.

    2007-12-28

    A methyl group is an outstanding quantum system due to its special symmetry properties. The threefold rotation around one of its bond is isomorphic to the group of even permutations of the remaining protons, a property which imposes severe quantum restrictions on the system, for instance a strict correlation of rotational states with nuclear spin states. The resulting long lifetimes of the rotational tunneling states of the methyl group can be exploited for applying certain high resolution optical techniques, like hole burning or single molecule spectroscopy to optically switch the methyl group from one tunneling state to another therebye changing the nuclear spin of the protons. One goal of the thesis was to perform this switching in single methyl groups. To this end the methyl group was attached to a chromophoric system, in the present case terrylene, which is well suited for single molecule spectroscopy as well as for hole burning. Experiments were performed with the bare terrylene molecule in a hexadecane lattice which served as a reference system, with alphamethyl terrylene and betamethyl terrylene, both embedded in hexadecane, too. A single molecular probe is a highly sensitive detector for dynamic lattice instabilities. Already the bare terrylene probe showed a wealth of interesting local dynamic effects of the hexadecane lattice which could be well acounted for by the assumption of two nearly degenerate sites with rather different optical and thermal properties, all of which could be determined in a quantitative fashion. As to the methylated terrylene systems, the experiments verified that for betamethyl terrylene it is indeed possible to measure rotational tunneling events in single methyl groups. However, the spectral patterns obtained was much more complicated than expected pointing to the presence of three spectroscopically different methyl groups. In order to achieve a definite assignement, molecular mechanics simulations of the terrylene probes in the

  6. Electron Spin Dynamics in Semiconductor Quantum Dots

    International Nuclear Information System (INIS)

    Marie, X.; Belhadj, T.; Urbaszek, B.; Amand, T.; Krebs, O.; Lemaitre, A.; Voisin, P.

    2011-01-01

    An electron spin confined to a semiconductor quantum dot is not subject to the classical spin relaxation mechanisms known for free carriers but it strongly interacts with the nuclear spin system via the hyperfine interaction. We show in time resolved photoluminescence spectroscopy experiments on ensembles of self assembled InAs quantum dots in GaAs that this interaction leads to strong electron spin dephasing.

  7. Antiferromagnetic spin fluctuations and unconventional nodeless superconductivity in an iron-based new superconductor (Ca4Al2O(6-y))(Fe2As2): 75As nuclear quadrupole resonance study.

    Science.gov (United States)

    Kinouchi, H; Mukuda, H; Yashima, M; Kitaoka, Y; Shirage, P M; Eisaki, H; Iyo, A

    2011-07-22

    We report 75As nuclear quadrupole resonance studies on (Ca4Al2O(6-y))(Fe2As2) with T(c) = 27  K. Measurement of nuclear-spin-relaxation rate 1/T1 has revealed a significant development of two-dimensional antiferromagnetic spin fluctuations down to T(c) in association with the smallest As-Fe-As bond angle. Below T(c), the temperature dependence of 1/T1 without any trace of the coherence peak is well accounted for by a nodeless s(±)-wave multiple-gaps model. From the fact that its T(c) is comparable to T(c) = 28  K in the optimally doped LaFeAsO(1-y) in which antiferromagnetic spin fluctuations are not dominant, we remark that antiferromagnetic spin fluctuations are not a unique factor for enhancing T(c) among Fe-based superconductors, but a condition for optimizing superconductivity should be addressed from the lattice structure point of view.

  8. Sub-minute kinetics of human red cell fumarase: 1 H spin-echo NMR spectroscopy and 13 C rapid-dissolution dynamic nuclear polarization.

    Science.gov (United States)

    Shishmarev, Dmitry; Wright, Alan J; Rodrigues, Tiago B; Pileio, Giuseppe; Stevanato, Gabriele; Brindle, Kevin M; Kuchel, Philip W

    2018-03-01

    Fumarate is an important probe of metabolism in hyperpolarized magnetic resonance imaging and spectroscopy. It is used to detect the release of fumarase in cancer tissues, which is associated with necrosis and drug treatment. Nevertheless, there are limited reports describing the detailed kinetic studies of this enzyme in various cells and tissues. Thus, we aimed to evaluate the sub-minute kinetics of human red blood cell fumarase using nuclear magnetic resonance (NMR) spectroscopy, and to provide a quantitative description of the enzyme that is relevant to the use of fumarate as a probe of cell rupture. The fumarase reaction was studied using time courses of 1 H spin-echo and 13 C-NMR spectra. 1 H-NMR experiments showed that the fumarase reaction in hemolysates is sufficiently rapid to make its kinetics amenable to study in a period of approximately 3 min, a timescale characteristic of hyperpolarized 13 C-NMR spectroscopy. The rapid-dissolution dynamic nuclear polarization (RD-DNP) technique was used to hyperpolarize [1,4- 13 C]fumarate, which was injected into concentrated hemolysates. The kinetic data were analyzed using recently developed FmR α analysis and modeling of the enzymatic reaction using Michaelis-Menten equations. In RD-DNP experiments, the decline in the 13 C-NMR signal from fumarate, and the concurrent rise and fall of that from malate, were captured with high spectral resolution and signal-to-noise ratio, which allowed the robust quantification of fumarase kinetics. The kinetic parameters obtained indicate the potential contribution of hemolysis to the overall rate of the fumarase reaction when 13 C-NMR RD-DNP is used to detect necrosis in animal models of implanted tumors. The analytical procedures developed will be applicable to studies of other rapid enzymatic reactions using conventional and hyperpolarized substrate NMR spectroscopy. Copyright © 2018 John Wiley & Sons, Ltd.

  9. Self-diffusion of electrolyte species in model battery electrodes using Magic Angle Spinning and Pulsed Field Gradient Nuclear Magnetic Resonance

    Science.gov (United States)

    Tambio, Sacris Jeru; Deschamps, Michaël; Sarou-Kanian, Vincent; Etiemble, Aurélien; Douillard, Thierry; Maire, Eric; Lestriez, Bernard

    2017-09-01

    Lithium-ion batteries are electrochemical storage devices using the electrochemical activity of the lithium ion in relation to intercalation compounds owing to mass transport phenomena through diffusion. Diffusion of the lithium ion in the electrode pores has been poorly understood due to the lack of experimental techniques for measuring its self-diffusion coefficient in porous media. Magic-Angle Spinning, Pulsed Field Gradient, Stimulated-Echo Nuclear Magnetic Resonance (MAS-PFG-STE NMR) was used here for the first time to measure the self-diffusion coefficients of the electrolyte species in the LP30 battery electrolyte (i.e. a 1 M solution of LiPF6 dissolved in 1:1 Ethylene Carbonate - Dimethyl Carbonate) in model composites. These composite electrodes were made of alumina, carbon black and PVdF-HFP. Alumina's magnetic susceptibility is close to the measured magnetic susceptibility of the LP30 electrolyte thereby limiting undesirable internal field gradients. Interestingly, the self-diffusion coefficient of lithium ions decreases with increasing carbon content. FIB-SEM was used to describe the 3D geometry of the samples. The comparison between the reduction of self-diffusion coefficients as measured by PFG-NMR and as geometrically derived from FIB/SEM tortuosity values highlights the contribution of specific interactions at the material/electrolyte interface on the lithium transport properties.

  10. Nuclear spintronics

    OpenAIRE

    Vagner, Israel D.

    2003-01-01

    The electron spin transport in condensed matter, Spintronics, is a subject of rapidly growing interest both scientifically and from the point of view of applications to modern and future electronics. In many cases the electron spin transport cannot be described adequately without accounting for the hyperfine interaction between electron and nuclear spins. Here, the progress in physics and applications of these phenomena will be reviewed.

  11. Spin current

    CERN Document Server

    Valenzuela, Sergio O; Saitoh, Eiji; Kimura, Takashi

    2017-01-01

    Since the discovery of the giant magnetoresistance effect in magnetic multilayers in 1988, a new branch of physics and technology, called spin-electronics or spintronics, has emerged, where the flow of electrical charge as well as the flow of electron spin, the so-called “spin current,” are manipulated and controlled together. The physics of magnetism and the application of spin current have progressed in tandem with the nanofabrication technology of magnets and the engineering of interfaces and thin films. This book aims to provide an introduction and guide to the new physics and applications of spin current, with an emphasis on the interaction between spin and charge currents in magnetic nanostructures.

  12. Spin-polarized free electron beam interaction with radiation and superradiant spin-flip radiative emission

    Directory of Open Access Journals (Sweden)

    A. Gover

    2006-06-01

    Full Text Available The problems of spin-polarized free-electron beam interaction with electromagnetic wave at electron-spin resonance conditions in a magnetic field and of superradiant spin-flip radiative emission are analyzed in the framework of a comprehensive classical model. The spontaneous emission of spin-flip radiation from electron beams is very weak. We show that the detectivity of electron spin resonant spin-flip and combined spin-flip/cyclotron-resonance-emission radiation can be substantially enhanced by operating with ultrashort spin-polarized electron beam bunches under conditions of superradiant (coherent emission. The proposed radiative spin-state modulation and the spin-flip radiative emission schemes can be used for control and noninvasive diagnostics of polarized electron/positron beams. Such schemes are of relevance in important scattering experiments off nucleons in nuclear physics and off magnetic targets in condensed matter physics.

  13. Spin Electronics

    Science.gov (United States)

    2003-08-01

    applications, a ferromagnetic metal may be used as a source of spin-polarized electronics to be injected into a semiconductor, a superconductor or a...physical phenomena in II-VI and III-V semiconductors. In II-VI systems, the Mn2+ ions act to boost the electron spin precession up to terahertz ...conductors, proximity effect between ferromagnets and superconductors , and the effects of spin injection on the physical properties of the

  14. Spin doctoring

    OpenAIRE

    Vozková, Markéta

    2011-01-01

    1 ABSTRACT The aim of this text is to provide an analysis of the phenomenon of spin doctoring in the Euro-Atlantic area. Spin doctors are educated people in the fields of semiotics, cultural studies, public relations, political communication and especially familiar with the infrastructure and the functioning of the media industry. Critical reflection of manipulative communication techniques puts spin phenomenon in historical perspective and traces its practical use in today's social communica...

  15. Spin glasses

    CERN Document Server

    Bovier, Anton

    2007-01-01

    Spin glass theory is going through a stunning period of progress while finding exciting new applications in areas beyond theoretical physics, in particular in combinatorics and computer science. This collection of state-of-the-art review papers written by leading experts in the field covers the topic from a wide variety of angles. The topics covered are mean field spin glasses, including a pedagogical account of Talagrand's proof of the Parisi solution, short range spin glasses, emphasizing the open problem of the relevance of the mean-field theory for lattice models, and the dynamics of spin glasses, in particular the problem of ageing in mean field models. The book will serve as a concise introduction to the state of the art of spin glass theory, usefull to both graduate students and young researchers, as well as to anyone curious to know what is going on in this exciting area of mathematical physics.

  16. Spin correlations in Ho2Ti2O7: A dipolar spin ice system

    DEFF Research Database (Denmark)

    Bramwell, S.T.; Harris, M.J.; Hertog, B.C. den

    2001-01-01

    described by a nearest neighbor spin ice model and very accurately described by a dipolar spin ice model. The heat capacity is well accounted for by the sum of a dipolar spin ice contribution and an expected nuclear spin contribution, known to exist in other Ho(3+) salts. These results settle the question......The pyrochlore material Ho(2)Ti(2)O(7) has been suggested to show "spin ice" behavior. We present neutron scattering and specific heat results that establish unambiguously that Ho(2)Ti(2)O(7) exhibits spin ice correlations at low temperature. Diffuse magnetic neutron scattering is quite well...

  17. ON THE INFERENCE OF THE COSMIC-RAY IONIZATION RATE ζ FROM THE HCO{sup +}-to-DCO{sup +} ABUNDANCE RATIO: THE EFFECT OF NUCLEAR SPIN

    Energy Technology Data Exchange (ETDEWEB)

    Shingledecker, Christopher N.; Le Gal, Romane; Hincelin, Ugo; Herbst, Eric [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States); Bergner, Jennifer B. [Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138 (United States); Öberg, Karin I., E-mail: shingledecker@virginia.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2016-10-20

    The chemistry of dense interstellar regions was analyzed using a time-dependent gas–grain astrochemical simulation and a new chemical network that incorporates deuterated chemistry, taking into account nuclear spin states for the hydrogen chemistry and its deuterated isotopologues. With this new network, the utility of the [HCO{sup +}]/[DCO{sup +}] abundance ratio as a probe of the cosmic-ray ionization rate has been re-examined, with special attention paid to the effect of the initial value of the ortho-to-para ratio (OPR) of molecular hydrogen. After discussing the use of the probe for cold cores, we compare our results with previous theoretical and observational results for a molecular cloud close to the supernova remnant W51C, which is thought to have an enhanced cosmic-ray ionization rate ζ caused by the nearby γ -ray source. In addition, we attempt to use our approach to estimate the cosmic-ray ionization rate for L1174, a dense core with an embedded star. Beyond the previously known sensitivity of [HCO{sup +}]/[DCO{sup +}] to ζ , we demonstrate its additional dependence on the initial OPR and, secondarily, on the age of the source, its temperature, and its density. We conclude that the usefulness of the [HCO{sup +}]/[DCO{sup +}] abundance ratio in constraining the cosmic-ray ionization rate in dense regions increases with the age of the source and the ionization rate as the ratio becomes far less sensitive to the initial value of the OPR.

  18. Nuclear Spin Lattice Relaxation and Conductivity Studies of the Non-Arrhenius Conductivity Behavior in Lithium Fast Ion Conducting Sulfide Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Benjamin Michael [Iowa State Univ., Ames, IA (United States)

    2003-01-01

    As time progresses, the world is using up more of the planet's natural resources. Without technological advances, the day will eventually arrive when these natural resources will no longer be sufficient to supply all of the energy needs. As a result, society is seeing a push for the development of alternative fuel sources such as wind power, solar power, fuel cells, and etc. These pursuits are even occurring in the state of Iowa with increasing social pressure to incorporate larger percentages of ethanol in gasoline. Consumers are increasingly demanding that energy sources be more powerful, more durable, and, ultimately, more cost efficient. Fast Ionic Conducting (FIC) glasses are a material that offers great potential for the development of new batteries and/or fuel cells to help inspire the energy density of battery power supplies. This dissertation probes the mechanisms by which ions conduct in these glasses. A variety of different experimental techniques give a better understanding of the interesting materials science taking place within these systems. This dissertation discusses Nuclear Magnetic Resonance (NMR) techniques performed on FIC glasses over the past few years. These NMR results have been complimented with other measurement techniques, primarily impedance spectroscopy, to develop models that describe the mechanisms by which ionic conduction takes place and the dependence of the ion dynamics on the local structure of the glass. The aim of these measurements was to probe the cause of a non-Arrhenius behavior of the conductivity which has been seen at high temperatures in the silver thio-borosilicate glasses. One aspect that will be addressed is if this behavior is unique to silver containing fast ion conducting glasses. more specifically, this study will determine if a non-Arrhenius correlation time, τ, can be observed in the Nuclear Spin Lattice Relaxation (NSLR) measurements. If so, then can this behavior be modeled with a new single

  19. Nuclear spin relaxation of {sup 8}Li in a thin film of La{sub 0.67}Ca{sub 0.33}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.I. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, Canada V6T 2A3 (Canada); Arseneau, D. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Chow, K.H. [Department of Physics, University of Alberta, Edmonton, Alta., T6G 2J1 (Canada); Daviel, S. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Engelbertz, A. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Hossain, MD. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Keeler, T. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Kiefl, R.F. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada)]|[Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada V6T 1Z1 (Canada)]|[Canadian Institute for Advanced Research, Toronto, Ont., Canada M5G 1Z8 (Canada)]. E-mail: kiefl@triumf.ca; Kreitzman, S. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Levy, C.D.P. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Morales, P. [Department of Physics, University of Toronto, Toronto, Ont., M5S 1A7 (Canada); Morris, G.D. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); MacFarlane, W.A. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada): Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Parolin, T.J. [Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Poutissou, R. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Saadaoui, H.; Wang, D. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z1 (Canada); Salman, Z. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Wei, J.Y.T. [Canadian Institute for Advanced Research, Toronto, Ont., M5G 1Z8 (Canada)]|[Department of Physics, University of Toronto, Toronto, Ont., M5S 1A7 (Canada)

    2006-03-31

    We report {beta}-NMR measurements of the nuclear spin relaxation rate (1/T{sub 1}) in a thin film of La{sub 0.67}Ca{sub 0.33}MnO{sub 3} (LCMO) using a low-energy beam of spin-polarized {sup 8}Li. In a small magnetic field of 150G, there is a broad peak in 1/T{sub 1} near the Curie temperature (T{sub c}=259K) and a dramatic decrease in 1/T{sub 1} at lower temperatures. This is attributed to a critical slowing down of the spin fluctuations near T{sub c} and freezing of the magnetic excitations at low temperatures, respectively. In addition, there is a small amplitude, slow relaxing component at high temperatures, which we attribute to {sup 8}Li in the SrTiO{sub 3} substrate. There is an indication that the spin relaxation rate in the substrate is also peaked at T{sub c} due to close proximity to the magnetic film. These results establish that low-energy {beta}-NMR can be used as a probe of magnetic fluctuations in magnetic thin films over a wide range of temperatures.

  20. Selective One-Dimensional Total Correlation Spectroscopy Nuclear Magnetic Resonance Experiments for a Rapid Identification of Minor Components in the Lipid Fraction of Milk and Dairy Products: Toward Spin Chromatography?

    Science.gov (United States)

    Papaemmanouil, Christina; Tsiafoulis, Constantinos G; Alivertis, Dimitrios; Tzamaloukas, Ouranios; Miltiadou, Despoina; Tzakos, Andreas G; Gerothanassis, Ioannis P

    2015-06-10

    We report a rapid, direct, and unequivocal spin-chromatographic separation and identification of minor components in the lipid fraction of milk and common dairy products with the use of selective one-dimensional (1D) total correlation spectroscopy (TOCSY) nuclear magnetic resonance (NMR) experiments. The method allows for the complete backbone spin-coupling network to be elucidated even in strongly overlapped regions and in the presence of major components from 4 × 10(2) to 3 × 10(3) stronger NMR signal intensities. The proposed spin-chromatography method does not require any derivatization steps for the lipid fraction, is selective with excellent resolution, is sensitive with quantitation capability, and compares favorably to two-dimensional (2D) TOCSY and gas chromatography-mass spectrometry (GC-MS) methods of analysis. The results of the present study demonstrated that the 1D TOCSY NMR spin-chromatography method can become a procedure of primary interest in food analysis and generally in complex mixture analysis.

  1. TOPICAL REVIEW: Spin current, spin accumulation and spin Hall effect

    Directory of Open Access Journals (Sweden)

    Saburo Takahashi and Sadamichi Maekawa

    2008-01-01

    Full Text Available Nonlocal spin transport in nanostructured devices with ferromagnetic injector (F1 and detector (F2 electrodes connected to a normal conductor (N is studied. We reveal how the spin transport depends on interface resistance, electrode resistance, spin polarization and spin diffusion length, and obtain the conditions for efficient spin injection, spin accumulation and spin current in the device. It is demonstrated that the spin Hall effect is caused by spin–orbit scattering in nonmagnetic conductors and gives rise to the conversion between spin and charge currents in a nonlocal device. A method of evaluating spin–orbit coupling in nonmagnetic metals is proposed.

  2. Spin electronics

    CERN Document Server

    Buhrman, Robert; Daughton, James; Molnár, Stephan; Roukes, Michael

    2004-01-01

    This report is a comparative review of spin electronics ("spintronics") research and development activities in the United States, Japan, and Western Europe conducted by a panel of leading U.S. experts in the field. It covers materials, fabrication and characterization of magnetic nanostructures, magnetism and spin control in magnetic nanostructures, magneto-optical properties of semiconductors, and magnetoelectronics and devices. The panel's conclusions are based on a literature review and a series of site visits to leading spin electronics research centers in Japan and Western Europe. The panel found that Japan is clearly the world leader in new material synthesis and characterization; it is also a leader in magneto-optical properties of semiconductor devices. Europe is strong in theory pertaining to spin electronics, including injection device structures such as tunneling devices, and band structure predictions of materials properties, and in development of magnetic semiconductors and semiconductor heterost...

  3. Spin glasses

    International Nuclear Information System (INIS)

    Fischer, K.H.; Hertz, J.A.

    1993-01-01

    Spin glasses, simply defined by the authors as a collection of spins (i.e., magnetic moments) whose low-temperature state is a frozen disordered one, represent one of the fascinating new fields of study in condensed matter physics, and this book is the first to offer a comprehensive account of the subject. Included are discussions of the most important developments in theory, experimental work, and computer modeling of spin glasses, all of which have taken place essentially within the last two decades. The first part of the book gives a general introduction to the basic concepts and a discussion of mean field theory, while the second half concentrates on experimental results, scaling theory, and computer simulation of the structure of spin glasses

  4. Study of the nuclear structure far from stability: Coulomb excitation of neutron-rich Rb isotopes around N=60; Production of nuclear spin polarized beams using the tilted foils technique

    International Nuclear Information System (INIS)

    Sotty, C.

    2013-01-01

    The underlying structure in the region A ∼ 100, N ∼ 60 has been under intensive and extensive investigation, mainly by β-decay and γ-ray spectroscopy from fission processes. Around N ∼ 60, by adding just few neutrons, protons a rapid shape change occurs from spherical-like to well deformed g.s. shape. Shape coexistence has been observed in the Sr and Zr nuclei, and is expected to take place in the whole region. The mechanisms involved in the appearance of the deformation is not well understood. The interplay between down-sloping and up-sloping neutron Nilsson orbital is evoked as one of the main reasons for the sudden shape change. However, a clear identification of the active proton and neutron orbitals was still on-going. For that purpose, the neutron rich 93;95;97;99 Rb isotopes have been studied by Coulomb excitation at CERN (ISOLDE) using the REX-ISOLDE post-accelerator and the MINIBALL setup. The completely unknown structures of 97;99 Rb have been populated and observed. Prompt γ-ray coincidences of low-lying states have been observed and time-correlated in order to build level schemes. The associated transition strengths have been extracted with the GOSIA code. The observed matrix elements of the electromagnetic operator constituted new inputs of further theoretical calculations giving new insight on the involved orbitals. The sensitivity of such experiment can be increased using nuclear spin polarized radioactive ion beam. For that purpose the Tilted Foils Technique (TFT) of polarization has been investigated at CERN. This technique consists to spin polarize the ion beam, passing through thin foils tilted at an oblique angle with respect to the beam direction. The initially obtained atomic polarization is transferred to the nucleus by hyperfine interaction. This technique does not depend on the chemical nature of the element. Short lived nuclei can be polarized in-flight without any need to be stopped in a catcher. It opens up the possibility to

  5. Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf and 1J(C,Hf Spin–Spin Coupling Constants in Acetaldehyde

    Directory of Open Access Journals (Sweden)

    Angel Esteban

    2003-02-01

    Full Text Available Abstract: The known solvent dependence of 1J(Cc,Hf and 2J(C1,Hf couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional theory approach where the dielectric solvent effect is taken into account with the polarizable continuum model. The four terms of scalar couplings, Fermi contact, paramagnetic spin orbital, diamagnetic spin orbital and spin dipolar, are calculated but the solvent effect analysis is restricted to the first term since for both couplings it is by far the dominant contribution. Experimental trends of Δ1J(Cc,Hf and Δ2J(C1,Hf Vs ε (the solvent dielectric constant are correctly reproduced although they are somewhat underestimated. Specific interactions between solute and solvent molecules are studied for dimethylsulfoxide, DMSO, solutions considering two different one-to-one molecular complexes between acetaldehyde and DMSO. They are determined by interactions of type C=O---H---C and S=O---H---C, and the effects of such interactions on 1J(Cc,Hf and 2J(C1,Hf couplings are analyzed. Even though only in a semiquantitative way, it is shown that the effect of such interactions on the solvent effects, of Δ1J(Cc,Hf and Δ2J(C1,Hf, tend to improve the agreement between calculated and experimental values. These results seem to indicate that a continuum dielectric model has not enough flexibility for describing quantitatively solvent effects on spin-spin couplings. Apparently, even for relatively weak hydrogen bonding, the contribution from “direct” interactions is of the same order of magnitude as the “dielectric” effect.

  6. T violating neutron spin rotation asymmetry

    International Nuclear Information System (INIS)

    Masuda, Yasushiro.

    1993-01-01

    A new experiment on T-violation is proposed, where a spin-rotating-neutron transmission through a polarized nuclear target is measuered. The method to control the neutron spin is discussed for the new T-violation experiment. The present method has possibility to provide us more accurate T-violation information than the neutron EDM measurement

  7. Spin dynamics in high-Tc cuprates

    International Nuclear Information System (INIS)

    Fukuyama, H.; Kohno, H.; Normand, B.; Tanamoto, T.

    1995-01-01

    Characteristic features of the spin excitations in high-T c cuprates revealed by neutron scattering and nuclear magnetic resonance experiments are summarised, and analysed on the basis of the slave-boson mean-field theory for the extended t-J model, placing special emphasis on the spin-gap phenomenon. (orig.)

  8. Fast electrical switching of spin injection in nonlocal spin transport devices

    Science.gov (United States)

    Fuhrer, A.; Alvarado, S. F.; Salis, G.; Allenspach, R.

    2011-05-01

    We present spin-injection experiments in a nonlocal spin transport device where spin is injected from a ferromagnetic FeCo electrode into a GaAs epilayer. The magnetization of the injection contact is switched by Oersted fields generated by alternating current pulses. This enables fast and offset-free measurements of nonlocal spin signals. Due to a negligible time-averaged electron spin polarization, dynamic nuclear polarization effects are small and Hanle curves measured down to T =3 K can be fit very accurately by drift-diffusion theory if a small constant Overhauser field BN=0.4 mT is accounted for.

  9. Adiabatic quantum computing with spin qubits hosted by molecules.

    Science.gov (United States)

    Yamamoto, Satoru; Nakazawa, Shigeaki; Sugisaki, Kenji; Sato, Kazunobu; Toyota, Kazuo; Shiomi, Daisuke; Takui, Takeji

    2015-01-28

    A molecular spin quantum computer (MSQC) requires electron spin qubits, which pulse-based electron spin/magnetic resonance (ESR/MR) techniques can afford to manipulate for implementing quantum gate operations in open shell molecular entities. Importantly, nuclear spins, which are topologically connected, particularly in organic molecular spin systems, are client qubits, while electron spins play a role of bus qubits. Here, we introduce the implementation for an adiabatic quantum algorithm, suggesting the possible utilization of molecular spins with optimized spin structures for MSQCs. We exemplify the utilization of an adiabatic factorization problem of 21, compared with the corresponding nuclear magnetic resonance (NMR) case. Two molecular spins are selected: one is a molecular spin composed of three exchange-coupled electrons as electron-only qubits and the other an electron-bus qubit with two client nuclear spin qubits. Their electronic spin structures are well characterized in terms of the quantum mechanical behaviour in the spin Hamiltonian. The implementation of adiabatic quantum computing/computation (AQC) has, for the first time, been achieved by establishing ESR/MR pulse sequences for effective spin Hamiltonians in a fully controlled manner of spin manipulation. The conquered pulse sequences have been compared with the NMR experiments and shown much faster CPU times corresponding to the interaction strength between the spins. Significant differences are shown in rotational operations and pulse intervals for ESR/MR operations. As a result, we suggest the advantages and possible utilization of the time-evolution based AQC approach for molecular spin quantum computers and molecular spin quantum simulators underlain by sophisticated ESR/MR pulsed spin technology.

  10. Identification of a probable new adrenergic agonist by nuclear magnetic resonance and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Boatto, Gianpiero [Department of Toxicological Chemistry, University of Sassari, Sassari (Italy); Culeddu, Nicola [CNR Biomolecular Chemistry Institute, Sassari (Italy); Testa, Cecilia [IZS della Sardegna, Sassari (Italy); Neri, Bruno [IZS delle Regioni Lazio e Toscana, Rome (Italy); Brambilla, Gianfranco [Istituto Superiore di Sanita, Environment Department, Toxicological Chemistry Unit, Rome (Italy)]. E-mail: g.brambi@iss.it; Barbosa, Jorge [LNIV, Lisbon (Portugal); Cruz, Clara [LNIV, Lisbon (Portugal)

    2007-03-14

    In animal production, it is consolidated the synthesis and the illegal use of growth promoters of new generation, able to skip routine screening and confirmatory analysis. In this work it is reported the nuclear magnetic resonance (NMR) and the mass spectrometry identification of a probable new adrenergic drug found in a feed premix. The substance was selectively purified on alpha 1 acid glycoprotein affinity columns; then its structure was first achieved by recording the {sup 13}C NMR spectrum that gave the total number of carbons of the molecule, successively sorted by DEPT experiments into quaternary, CH, CH{sub 2}, and CH{sub 3} groups. However, the complete assignments of all resonances were derived from the bi-dimensional analysis and the crucial indications from the {sup 1}H-{sup 13}C reverse experiments. Further characterisation was performed by atmospheric pressure chemical ionisation both in positive and negative ion mode, matching the molecular ion and the fragmentation pattern with those of most recently described new adrenergic agonists. After the loss of a ter-butylic group, the structure shows an internal symmetry along with the presence of Chlorine clusters. The proposed formula of the compound, the 8,8'-diamino-9,9'-dichloro-1-terbutyl-1,1',4,4-tetrahydro-5H,5'H-2,2'-bi -1-benzazepine-5,5'-dione, partially resembles that of Zilpaterol for the presence of a heterocyclic ring; Further work is in progress to characterise the structure-activity relationship.

  11. Interference Spins

    DEFF Research Database (Denmark)

    Popovski, Petar; Simeone, Osvaldo; Nielsen, Jimmy Jessen

    2015-01-01

    on traffic load and interference condition leads to performance gains. In this letter, a general network of multiple interfering two-way links is studied under the assumption of a balanced load in the two directions for each link. Using the notion of interference spin, we introduce an algebraic framework...

  12. Spinning worlds

    NARCIS (Netherlands)

    Schwarz, H.

    2017-01-01

    The thesis "Spinning Worlds" is about the characterisation of two types of gas-giant exoplanets: Hot Jupiters, with orbital periods of fewer than five days, and young, wide-orbit gas giants, with orbital periods as long as thousands of years. The thesis is based on near-infrared observations of 1

  13. 21st International Symposium on Spin Physics

    CERN Document Server

    Ma, Bo-Qiang; SPIN 2014; SPIN2014

    2016-01-01

    This special volume collected important papers written by leading experts, highlighting the latest research findings in various topics of spin phenomena in particle and nuclear physics. The contents are originated from the plenary talks at the latest symposium of the Spin Physics series (SPIN2014) which was held in Beijing, China, October 20-24, 2014.The volume also comprises a special collection of contributions in memory of the late Professor Michel Borghini, an outstanding physicist well remembered for his great contributions to the progress of high energy spin physics.

  14. Birefringence (spin rotation and spin dichroism) of high-energy deuterons

    International Nuclear Information System (INIS)

    Baryshevskij, V.G.; Rovba, A.A.

    2016-01-01

    The phenomenon of birefringence (spin rotation and spin dichroism) of high-energy deuterons, currently observed in experiments, is the macroscopic quantum effect similar to the birefringence effect known in optics. This paper considers the contribution coming to the spin dichroism effect from the interaction of deuteron electric quadrupole moment and nuclear electric field. The effect proves to be responsive to the behavior of deuteron ground state wave functions at a small distance. [ru

  15. Spin relaxation in disordered media

    International Nuclear Information System (INIS)

    Dzheparov, F S

    2011-01-01

    A review is given on theoretical grounds and typical experimental appearances of spin dynamics and relaxation in solids containing randomly distributed nuclear and/or electronic spins. Brief content is as follows. Disordered and magnetically diluted systems. General outlines of the spin transport theory. Random walks in disordered systems (RWDS). Observable values in phase spin relaxation, free induction decay (FID). Interrelation of longitudinal and transversal relaxation related to dynamics of occupancies and phases. Occupation number representation for equations of motion. Continuum media approximation and inapplicability of moment expansions. Long-range transitions vs percolation theory. Concentration expansion as a general constructive basis for analytical methods. Scaling properties of propagators. Singular point. Dynamical and kinematical memory in RWDS. Ways of regrouping of concentration expansions. CTRW and semi-phenomenology. Coherent medium approximation for nuclear relaxation via paramagnetic impurities. Combining of memory functions and cumulant expansions for calculation of FID. Path integral representations for RWDS. Numerical simulations of RWDS. Spin dynamics in magnetically diluted systems with low Zeeman and medium low dipole temperatures. Cluster expansions, regularization of dipole interactions and spectral dynamics.

  16. Spin-Circuit Representation of Spin Pumping

    Science.gov (United States)

    Roy, Kuntal

    2017-07-01

    Circuit theory has been tremendously successful in translating physical equations into circuit elements in an organized form for further analysis and proposing creative designs for applications. With the advent of new materials and phenomena in the field of spintronics and nanomagnetics, it is imperative to construct the spin-circuit representations for different materials and phenomena. Spin pumping is a phenomenon by which a pure spin current can be injected into the adjacent layers. If the adjacent layer is a material with a high spin-orbit coupling, a considerable amount of charge voltage can be generated via the inverse spin Hall effect allowing spin detection. Here we develop the spin-circuit representation of spin pumping. We then combine it with the spin-circuit representation for the materials having spin Hall effect to show that it reproduces the standard results as in the literature. We further show how complex multilayers can be analyzed by simply writing a netlist.

  17. Double-spin-flip resonance of rhodium nuclei at positive and negative spin temperatures

    DEFF Research Database (Denmark)

    Tuoriniemi, J.T.; Knuuttila, T.A.; Lefmann, K.

    2000-01-01

    Sensitive SQUID-NMR measurements were used to study the mutual interactions in the highly polarized nuclear-spin system of rhodium metal. The dipolar coupling gives rise to a weak double-spin-flip resonance. The observed frequency shifts allow deducing separately the dipolarlike contribution...

  18. 16th Workshop on High Energy Spin Physics

    CERN Document Server

    2016-01-01

    The Workshop will cover a wide range of spin phenomena at high and intermediate energies such as: recent experimental data on spin physics the nucleon spin structure and GPD's spin physics and QCD spin physics in the Standard Model and beyond T-odd spin effects polarization and heavy ion physics spin in gravity and astrophysics the future spin physics facilities spin physics at NICA polarimeters for high energy polarized beams acceleration and storage of polarized beams the new polarization technology related subjects The Workshop will be held in the Bogoliubov Laboratory of Theoretical Physics of the Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region, Russia. The program of the workshop will include plenary and parallel (if necessary) sessions. Plenary sessions will be held in the Conference Hall. Parallel sections will take place in the same building. There will be invited talks (up to 40 min) and original reports (20 min). The invited speakers will present new experimental and theoretical re...

  19. Spin noise spectroscopy of ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Horn, Hauke; Huebner, Jens; Oestreich, Michael [Institute for Solid State Physics, Gottfried Wilhelm Leibniz University Hannover (Germany); Marie, Xavier; Balocchi, Andrea [INSA-CNRS-UPS, LPCNO, Universite de Toulouse (France)

    2010-07-01

    ZnO is a promising material for optical spintronics showing long electron spin lifetimes due to the large band gap and low amount of nuclear spin isotopes. Here, we use spin noise spectroscopy to access the electron spin dynamics of this material in thermal equilibrium while avoiding carrier heating and excitation of electron hole pairs. A linear polarized laser beam (E{sub UV-Laser}=3.32 eV) close to the direct band gap of ZnO (E{sub D}{sup 0}{sub X}=3.36 eV) is used to detect the spin dynamics of neutral donors in ZnO with off-resonant, non-demolition Faraday rotation. The stochastic oriented electron spins induce polarization fluctuations of the transmitted laser beam. The fluctuation strength of N non-interacting, paramagnetic spins follow the Poisson statistics and generate measurable noise {proportional_to}{radical}(N) spins. These fluctuations are measured via a polarization bridge in the radio frequency regime and Fourier transformed in real-time. A magnetic field B is applied in Voigt-geometry and modulates the noise signal with the Larmor frequency of the electron spins {omega}{sub L}=g{mu}{sub B}B/{Dirac_h}. From the recorded noise spectra we can extract the electron g-factor, spin lifetimes, and densities.

  20. On the thermal properties of polarized nuclear matter

    International Nuclear Information System (INIS)

    Hassan, M.Y.M.; Montasser, S.S.; Ramadan, S.

    1979-08-01

    The thermal properties of polarized nuclear matter are calculated using Skyrme III interaction modified by Dabrowski for polarized nuclear matter. The temperature dependence of the volume, isospin, spin and spin isospin pressure and energies are determined. The temperature, isospin, spin and spin isospin dependence of the equilibrium Fermi momentum is also discussed. (author)

  1. PREFACE: SPIN2010 - Preface for Conference Proceedings

    Science.gov (United States)

    Ströher, Hans; Rathmann, Frank

    2011-03-01

    SPIN2010, the 19th International Spin Physics Symposium, took place between 27 September and 2 October, 2010 on the campus of Forschungszentrum Jülich GmbH (FZJ) in Jülich, Germany. The scientific program of this Symposium included many topics related to spin phenomena in particle and nuclear physics as well as those in related fields. The International Spin Physics Symposium series has combined the High Energy Spin Symposia and the Nuclear Polarization Conferences since 2000. The most recent two Symposia were held in Virginia, USA (October 2008) and in Kyoto, Japan (October 2006). The meeting was opened by the chairman of the Board of Management of Jülich Forschungszentrum, Professor Achim Bachem, who cordially welcomed the participants from all over the world and gave a brief introduction to the Center and the research conducted there. The scientific program consisted of plenary sessions and parallel sessions and included the following topics: Fundamental symmetries and spin Spin structure of hadrons Spin physics beyond the Standard Model Spin in hadronic reactions Spin physics with photons and leptons Spin physics in nuclear reactions and nuclei Acceleration, storage, and polarimetry of polarized beams Polarized ion and lepton sources and targets Future facilities and experiments Medical and technological applications of spin physics The 6-day symposium had about 300 participants. In total 35 plenary talks (including 3 summaries of other spin physics meetings) and 163 contributed talks were given. The contents of many of these can be found in the present contributions, arranged according to the above topics and the time sequence. In addition, a public lecture on "Drall in der Quantenwelt", presented by H O Meyer (Bloomington) was received very well. Participants had the option to visit the Cooler synchrotron COSY at the Nuclear Physics Institute (IKP) and the 9.4 T MRT-PET hybrid scanner at the Institute of Neuroscience and Medicine (INM), two unique

  2. {sup 1} H and {sup 13} C NMR of phenyl barbiturilidene; RMN de H-1 e C-13 de fenil barbiturilidenos

    Energy Technology Data Exchange (ETDEWEB)

    Villar, Jose Daniel Figueroa; Santos, Nedina Lucia dos; Cruz, Elizabete Rangel [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Secao de Quimica

    1991-12-31

    The condensation of barbituric acids with aromatic aldehydes gives the phenyl barbiturilidenes, which are studied as intermediary compounds in the synthesis of new heterocyclic compounds for pharmaceutical use. One of the most characteristic reactions of these compounds is the Michael type addition reaction, in the exocyclic carbon-carbon double binding. The reaction with 2,4-di nitrophenyl hydrazine reaction is been used as a test of this type of reactivity, which supplies the respective hydrazone and barbituric acid. In this work, preliminary studies have been performed for establishing correlations between the Brown parameter ({sigma}{sup +}), the chemical shifts ({delta}) of the barbiturilidene atoms involved in the reaction, and their reactivities 3 refs., 1 fig., 6 tabs.

  3. New ruthenium (II) complexes derived from pyridinopyrazoline and pyridinopyrazole: /sup 1/H, /sup 13/C and /sup 99/Ru NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Marzin, C.; Budde, F.; Steel, P.J.; Lerner, D.

    1987-01-01

    A series of RuL/sub 3//sup 2+/(A), Ru(bpy) L/sub 2//sup 2+/(B) and Ru(bpy)/sub 2/L/sup 2+/(C) complexes with pyridinopyrazole and pyridinopyrazoline ligands L have been prepared; their study allows the evaluation of the ligand ..pi..-acceptor ability on the complex properties; especially /sup 99/Ru and Ru/sup 2//Ru/sup 3+/ oxidation potential measurements show a good ..pi..-acceptor behavior of one of the pyridinopyrazoline ligands. All the B and C type complexes and most of the RuL/sub 3//sup 2+/ ones, emit at 77 K which is rather unusual; one of these gives rise to a double emission, possibly from two isomers. NMR studies show the presence of geometric isomers for A and B type complexes and of diastereoisomeric ones for complexes A, B and C when L includes a pyrazoline unit. 37 refs.

  4. {delta}{sup 13}C and {delta}{sup 15}N shifts in benthic invertebrates exposed to sewage from McMurdo Station, Antarctica

    Energy Technology Data Exchange (ETDEWEB)

    Conlan, Kathleen E. [Canadian Musem of Nature, P.O. Box 3443 Station D, Ottawa, Ont., K1P 6P4 (Canada)]. E-mail kconlan@mus-nature.ca; Rau, Greg H. [Institute of Marine Sciences, University of California, Santa Cruz, CA 95064 (United States); Kvitek, Rikk G. [Earth Systems Science and Policy, California State University Monterey Bay, 100 Campus Center, Seaside, CA 93955 (United States)

    2006-12-15

    In an effort to identify biomonitors for contamination of Antarctic marine benthos by sewage, this study determines whether the US Antarctic Program's McMurdo Station produces a benthic sewage footprint and whether resident megafauna are assimilating sewage-derived material. We identified strong C and N isotopic gradients in benthic sediment as a function of downstream distance from McMurdo Station's point-source sewage addition. Sediment C and N isotope ratios approached marine background levels at the sampling end-point 612 m downcurrent. Based on isotope abundances in their tissues, at least some sewage C and N were assimilated by the sedentary, suspension feeding soft coral Alcyonium antarcticum, ascidian Cnemidocarpa verrucosa and bivalve Laternula elliptica. However, as inferred by tissue-sediment differences in downstream isotope trends, such assimilation was not in proportion to sewage exposure and input, therefore implying non-generalist feeding behavior by these species. In contrast, the motile, generalist feeding sea urchin Sterechinus neumayeri, sea star Odontaster validus and ribbon worm Parborlasia corrugatus showed isotopic evidence of sewage C and N assimilation roughly in proportion to sewage input. We recommend these generalist feeders for further use as biomonitors at this site now that sewage treatment has been implemented. As these species are circumpolar in distribution, they may also prove useful elsewhere in the Antarctic.

  5. The use of {sup 13}C labelling of bacterial lipids in the characterisation of ambient methane-oxidising bacteria in soils

    Energy Technology Data Exchange (ETDEWEB)

    Crossman, Z.M.; Evershed, R.P. [Bristol Univ., Organic Geochemistry Unit, Biogeochemistry Research Centre, Bristol (United Kingdom); Ineson, P. [York Univ., Dept. of Biology, York (United Kingdom)

    2005-05-15

    The occurrence of methane-oxidising bacteria in soils has received increasing attention because of their role as a sink for atmospheric methane. However, such bacteria are not amenable to modern culturing techniques and hence the widespread interest in the development of methods of cultivation-independent analysis. In the following investigation, a combination of stable isotope labelling with phospholipid fatty acid (PLFA) and bacteriohopanoid analysis was employed in an effort to characterise this functional group of bacteria. Results suggest a novel population of methane-oxidising bacteria related to type II culturable methanotrophs, in particular, the Methylocapsa and Methylocella genera of bacteria. (Author)

  6. Gordon Conference on Nuclear Research

    International Nuclear Information System (INIS)

    Austin, S.M.

    1983-09-01

    Session topics were: quarks and nuclear physics; anomalons and anti-protons; the independent particle structure of nuclei; relativistic descriptions of nuclear structure and scattering; nuclear structure at high excitation; advances in nuclear astrophysics; properties of nuclear material; the earliest moments of the universe; and pions and spin excitations in nuclei

  7. Coherent electron-spin-resonance manipulation of three individual spins in a triple quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Noiri, A. [Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Yoneda, J.; Nakajima, T.; Otsuka, T.; Delbecq, M. R.; Takeda, K.; Tarucha, S. [Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); RIKEN, Center for Emergent Matter Science (CEMS), Wako-shi, Saitama 351-0198 (Japan); Amaha, S.; Allison, G. [RIKEN, Center for Emergent Matter Science (CEMS), Wako-shi, Saitama 351-0198 (Japan); Ludwig, A.; Wieck, A. D. [Lehrstuhl für Angewandte Festkörperphysik, Ruhr-Universität Bochum, D-44780 Bochum (Germany)

    2016-04-11

    Quantum dot arrays provide a promising platform for quantum information processing. For universal quantum simulation and computation, one central issue is to demonstrate the exhaustive controllability of quantum states. Here, we report the addressable manipulation of three single electron spins in a triple quantum dot using a technique combining electron-spin-resonance and a micro-magnet. The micro-magnet makes the local Zeeman field difference between neighboring spins much larger than the nuclear field fluctuation, which ensures the addressable driving of electron-spin-resonance by shifting the resonance condition for each spin. We observe distinct coherent Rabi oscillations for three spins in a semiconductor triple quantum dot with up to 25 MHz spin rotation frequencies. This individual manipulation over three spins enables us to arbitrarily change the magnetic spin quantum number of the three spin system, and thus to operate a triple-dot device as a three-qubit system in combination with the existing technique of exchange operations among three spins.

  8. Resolving spin-orbit- and hyperfine-mediated electric dipole spin resonance in a quantum dot.

    Science.gov (United States)

    Shafiei, M; Nowack, K C; Reichl, C; Wegscheider, W; Vandersypen, L M K

    2013-03-08

    We investigate the electric manipulation of a single-electron spin in a single gate-defined quantum dot. We observe that so-far neglected differences between the hyperfine- and spin-orbit-mediated electric dipole spin resonance conditions have important consequences at high magnetic fields. In experiments using adiabatic rapid passage to invert the electron spin, we observe an unusually wide and asymmetric response as a function of the magnetic field. Simulations support the interpretation of the line shape in terms of four different resonance conditions. These findings may lead to isotope-selective control of dynamic nuclear polarization in quantum dots.

  9. Attenuation of nuclear orientation of .sup.127./sup.In in GD and the InGDKorringa spin-lattice relaxation time constant

    Czech Academy of Sciences Publication Activity Database

    Stone, J.; Ohya, S.; Rikovska, J.; Woehr, A.; Betts, P.; Dupák, Jan; Fogelberg, B.; Jacobsson, L.

    č. 133 (2001), s. 111 - 115 ISSN 0304-3843 Institutional research plan: CEZ:AV0Z2065902 Keywords : nuclear orientation * Korringa constant Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.634, year: 2001

  10. Heat and spin interconversion

    International Nuclear Information System (INIS)

    Ohnuma, Yuichi; Matsuo, Mamoru; Maekawa, Sadamichi; Saitoh, Eeiji

    2017-01-01

    Spin Seebeck and spin Peltier effects, which are mutual conversion phenomena of heat and spin, are discussed on the basis of the microscopic theory. First, the spin Seebeck effect, which is the spin-current generation due to heat current, is discussed. The recent progress in research on the spin Seebeck effect are introduced. We explain the origin of the observed sign changes of the spin Seebeck effect in compensated ferromagnets. Next, the spin Peltier effect, which is the heat-current generation due to spin current, is discussed. Finally, we show that the spin Seebeck and spin Peltier effects are summarized by Onsager's reciprocal relation and derive Kelvin's relation for the spin and heat transports. (author)

  11. Selected topics in nuclear structure

    International Nuclear Information System (INIS)

    1994-01-01

    The collection of abstracts on selected topics in nuclear structure are given. Special attention pays to collective excitations and high-spin states of nuclei, giant resonance structure, nuclear reaction mechanisms and so on

  12. Optical pumping production of spin polarized hydrogen

    International Nuclear Information System (INIS)

    Knize, R.J.; Happer, W.; Cecchi, J.L.

    1984-01-01

    There has been much interest recently in the production of large quantities of spin polarized hydrogen in various fields including controlled fusion, quantum fluids, high energy, and nuclear physics. One promising method for the development of large quantities of spin polarized hydrogen is the utilization of optical pumping with a laser. Optical pumping is a process where photon angular momentum is converted into electron and nuclear spin. The advent of tunable CW dye lasers (approx. 1 watt) allow the production of greater than 10 18 polarized atoms/sec. We have begun a program at Princeton to investigate the physics and technology of using optical pumping to produce large quantities of spin polarized hydrogen. Initial experiments have been done in small closed glass cells. Eventually, a flowing system, open target, or polarized ion source could be constructed

  13. Application of spin-exchange relaxation-free magnetometry to the Cosmic Axion Spin Precession Experiment

    Science.gov (United States)

    Wang, Tao; Kimball, Derek F. Jackson; Sushkov, Alexander O.; Aybas, Deniz; Blanchard, John W.; Centers, Gary; Kelley, Sean R. O.'; Wickenbrock, Arne; Fang, Jiancheng; Budker, Dmitry

    2018-03-01

    The Cosmic Axion Spin Precession Experiment (CASPEr) seeks to measure oscillating torques on nuclear spins caused by axion or axion-like-particle (ALP) dark matter via nuclear magnetic resonance (NMR) techniques. A sample spin-polarized along a leading magnetic field experiences a resonance when the Larmor frequency matches the axion/ALP Compton frequency, generating precessing transverse nuclear magnetization. Here we demonstrate a Spin-Exchange Relaxation-Free (SERF) magnetometer with sensitivity ≈ 1 fT /√{ Hz } and an effective sensing volume of 0.1 cm3 that may be useful for NMR detection in CASPEr. A potential drawback of SERF-magnetometer-based NMR detection is the SERF's limited dynamic range. Use of a magnetic flux transformer to suppress the leading magnetic field is considered as a potential method to expand the SERF's dynamic range in order to probe higher axion/ALP Compton frequencies.

  14. Stimulated polarization wave process in spin 3/2 chains

    International Nuclear Information System (INIS)

    Furman, G. B.

    2007-01-01

    Stimulated wave of polarization, triggered by a flip of a single spin, presents a simple model of quantum amplification. Recently, it has been demonstrated that, in an idealized one-dimensional Ising spin 1/2 chain with nearest-neighbor interactions and realistic spin 1/2 chain including the natural dipole-dipole interactions, irradiated by a weak resonant transverse field, a wave of flipped spins can be triggered by a single spin flip. Here we focuse on control of polarization wave in chain of spin 3/2, where the nuclear quadrupole interaction is dominant. Results of simulations for 1D spin chains and rings with up to five spins are presented.

  15. High spin states in Cu

    Indian Academy of Sciences (India)

    September 2000 physics pp.L471–L478. High spin states in. 63. Cu. B MUKHERJEE. ½,¾. , S MURALITHAR. ½. , R P SINGH. ½. , R KUMAR. ½. , K RANI. ½. ,. S C PANCHOLI. ¿ and R K BHOWMIK. ½. ½. Nuclear Science Centre, P.B. No. 10502, New Delhi 110 067, India. 2. Jawaharlal Nehru University, New Delhi 110 ...

  16. High spin spectroscopy of Pr

    Indian Academy of Sciences (India)

    2001-07-31

    Jul 31, 2001 ... High spin states; nuclear structure; gamma-ray spectroscopy;. ½¿. Pr energy levels. PACS Nos 21.10.-k; 23.20.-g; 27.60.+j; 29.30.Kv. 1. Introduction. The transitional nuclei in the A. ½ ¼ region with N between 77 and 81 are interesting as it offer good scope to look for possible shape changes, similar to ...

  17. Aluminum and gallium nuclei as microscopic probes for pulsed electron-nuclear double resonance diagnostics of electric-field gradient and spin density in garnet ceramics doped with paramagnetic ions

    Science.gov (United States)

    Uspenskaya, Yu. A.; Mamin, G. V.; Babunts, R. A.; Badalyan, A. G.; Edinach, E. V.; Asatryan, H. R.; Romanov, N. G.; Orlinskii, S. B.; Khanin, V. M.; Wieczorek, H.; Ronda, C.; Baranov, P. G.

    2018-03-01

    The presence of aluminum and gallium isotopes with large nuclear magnetic and quadrupole moments in the nearest environment of impurity ions Mn2+ and Ce3+ in garnets made it possible to use hyperfine and quadrupole interactions with these ions to determine the spatial distribution of the unpaired electron and the gradient of the electric field at the sites of aluminum and gallium in the garnet lattice. High-frequency (94 GHz) electron spin echo detected electron paramagnetic resonance and electron-nuclear double resonance measurements have been performed. Large difference in the electric field gradient and quadrupole splitting at octahedral and tetrahedral sites allowed identifying the positions of aluminum and gallium ions in the garnet lattice and proving that gallium first fills tetrahedral positions in mixed aluminum-gallium garnets. This should be taken into account in the development of garnet-based scintillators and lasers. It is shown that the electric field gradient at aluminum nuclei near Mn2+ possessing an excess negative charge in the garnet lattice is ca. 2.5 times larger than on aluminum nuclei near Ce3+.

  18. Spin noise spectroscopy on donors in GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Bernien, Hannes; Mueller, Georg; Roemer, Michael; Huebner, Jens; Oestreich, Michael [Institute for Solid State Physics, Gottfried Wilhelm Leibniz University Hannover (Germany)

    2009-07-01

    In recent experiments spin noise spectroscopy (SNS) has proven to be a very sensitive technique to study electron spin dynamics in semiconductors at thermal equilibrium. Here we present SNS-measurements on donor bound electrons in very low doped bulk GaAs. In this environment the donors do not interact with each other and form artificial atoms. We discuss the detection of single donor bound electron spins, which should have extremely long spin relaxation times compared to ensemble spin relaxation times. In further experiments the electron bound to the donor will be used to probe and study the local nuclear magnetic field at the donor site.

  19. Fractional Spin Fluctuations as a Precursor of Quantum Spin Liquids: Majorana Dynamical Mean-Field Study for the Kitaev Model.

    Science.gov (United States)

    Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi

    2016-10-07

    Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.

  20. The decay of /sup 185/Hg low-spin states in /sup 185/Au as a probe of the nuclear models

    CERN Document Server

    Bourgeois, C; Kilcher, P; Roussière, B; Sauvage-Letessier, J

    1981-01-01

    The /sup 185/Au has been studied from the beta /sup +//EC decay of /sup 185m+g/Hg using the ISOCELE facility. Conversion electron measurements have been performed by means of a semi-circular magnetic spectrograph: new low-energy transitions have been observed. A 330 keV very converted transition has also been found. Its existence is discussed. In addition to the usual states observed in heavier gold isotopes, numerous negative-parity low-spin states have been located. The experimental states corresponding to a prolate shaped nucleus are compared with those extracted from an 'axial rotor+quasi-particle' coupling model. They could be identified with two state families, the first one arising from the h9/2+f5/2 sub-shells, the second from the p3/2+f7/2 sub-shells. (12 refs).

  1. Magnetic Nanostructures Spin Dynamics and Spin Transport

    CERN Document Server

    Farle, Michael

    2013-01-01

    Nanomagnetism and spintronics is a rapidly expanding and increasingly important field of research with many applications already on the market and many more to be expected in the near future. This field started in the mid-1980s with the discovery of the GMR effect, recently awarded with the Nobel prize to Albert Fert and Peter Grünberg. The present volume covers the most important and most timely aspects of magnetic heterostructures, including spin torque effects, spin injection, spin transport, spin fluctuations, proximity effects, and electrical control of spin valves. The chapters are written by internationally recognized experts in their respective fields and provide an overview of the latest status.

  2. Initial Aging Studies of Unfilled VCE

    Energy Technology Data Exchange (ETDEWEB)

    Letant, S E; Herberg, J L; Wilson, T S; Alviso, C T; Chinn, S C; Maxwell, R S

    2008-10-09

    This report presents initial data on the effects of temperature, oxygen, and radiation on the chemical and structural properties of newly formulated, unfilled VCE. This initial effort focused on a pristine sample, and a replicate sample irradiated in air at a dose of 25MR. Thermal degradation was investigated by performing Thermogravimetric Analysis (TGA), and radiation-induced degradation was investigated using Differential Scanning Calorimetry (DSC), X-ray Diffraction (XRD), Solid Phase MicroExtraction--Gas Chromatography/Mass Spectrometry (SPME-GC/MS), as well as various Nuclear Magnetic Resonance (NMR) techniques including: {sup 13}C, {sup 13}C {sup 1}H cross polarization (CP), and {sup 1}H magic angle spinning (MAS) NMR.

  3. Aging Studies of Filled and Unfilled VCE

    Energy Technology Data Exchange (ETDEWEB)

    Letant, S; Herberg, J; Alviso, C; Small, W; Mulcahy, H; Pearson, M; Wilson, T; Chinn, S; Maxwell, R

    2009-11-10

    This report presents data on the effects of temperature and gamma radiation on the chemical and structural properties of both filled and unfilled VCE material produced by the Kansas City Plant using WR-qualified processes. Thermal effects up to 300 C and gamma irradiation doses of 1 MRad and 25 MRad were investigated under atmospheric conditions. Characterization techniques used in the study comprise Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC), X-ray Diffraction (XRD), Tensile Testing, Solid Phase MicroExtraction - Gas Chromatography/Mass Spectrometry (SPME-GC/MS), phenol extraction followed by HPLC, and various Nuclear Magnetic Resonance (NMR) techniques including: {sup 13}C, {sup 13}C {l_brace}{sup 1}H{r_brace} cross polarization (CP), {sup 1}H magic angle spinning (MAS), 13C{l_brace}{sup 1}H{r_brace} Wide-line-Separation (2D-WISE) and development of Center band-Only Detection of Exchange (CODEX).