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Sample records for 6li mas nmr

  1. 6Li MAS NMR Study of Lithium Insertion into Hydrothermally Prepared Li-Ti-O Spinel

    Krtil, Petr; Dědeček, Jiří; Kostlánová, Tereza; Brus, Jiří

    2004-01-01

    Roč. 7, č. 7 (2004), A163-A166. ISSN 1099-0062 R&D Projects: GA ČR GA203/03/0823 Institutional research plan: CEZ:AV0Z4040901 Keywords : lithium insertion * spinel * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.271, year: 2004

  2. Investigating sorption on iron-oxyhydroxide soil minerals by solid-state NMR spectroscopy: a 6Li MAS NMR study of adsorption and absorption on goethite

    Nielsen, Ulla Gro; Paik, Younkee; Julmis, Keinia;

    2005-01-01

    system representing an ideal model system for NMR studies. 6Li resonances with large hyperfine shifts (approximately 145 ppm) were observed above the goethite point of zero charge, providing clear evidence for the presence of Li-O-Fe connectivities, and thus the formation of an inner sphere Li+ complex...... on the goethite surface. Even larger Li hyperfine shifts (289 ppm) were observed for Li+-exchanged goethite, which contains lithium ions in the tunnels of the goethite structure, confirming the Li assignment of the 145 ppm Li resonance to the surface sites. Udgivelsesdato: 2005-Oct-6...

  3. Structural biology applications of solid state MAS DNP NMR

    Akbey, Ümit; Oschkinat, Hartmut

    2016-08-01

    Dynamic Nuclear Polarization (DNP) has long been an aim for increasing sensitivity of nuclear magnetic resonance (NMR) spectroscopy, delivering spectra in shorter experiment times or of smaller sample amounts. In recent years, it has been applied in magic angle spinning (MAS) solid-state NMR to a large range of samples, including biological macromolecules and functional materials. New research directions in structural biology can be envisaged by DNP, facilitating investigations on very large complexes or very heterogeneous samples. Here we present a summary of state of the art DNP MAS NMR spectroscopy and its applications to structural biology, discussing the technical challenges and factors affecting DNP performance.

  4. 31P Solid-state MAS NMR spectra

    The structures of the silicoaluminiophosphates MCM-1 and MCM9 were characterized by 27Al and 31P MAS NMR. The structural identity of MCM-1 and its silicon-free homologue AlPO4-H3 is demonstrated. The presence of a structural mixture in MCM-9 is confirmed. 31P MAS NMR spectra of MCM-9 could be interpreted as a superposition of spectra of VPI-5, AlPO4-H3 and SAPO-11 phases. (author). 12 refs.; 3 figs.; 1 tab

  5. A General Protocol for Temperature Calibration of MAS NMR Probes at Arbitrary Spinning Speeds

    Guan, Xudong; Stark, Ruth E.

    2010-01-01

    A protocol using 207Pb NMR of solid lead nitrate was developed to determine the temperature of magic-angle spinning (MAS) NMR probes over a range of nominal set temperatures and spinning speeds. Using BioMAS and fastMAS probes with typical sample spinning rates of 8 and 35 kHz, respectively, empirical equations were devised to predict the respective sample temperatures. These procedures provide a straightforward recipe for temperature calibration of any MAS probe.

  6. Magic-angle-spinning NMR (MAS-NMR) spectroscopy and the structure of zeolites

    After outlining the chemical features and properties which make zeolites such an important group of catalysts and sorbents, the article explains how high-resolution solid-state NMR with magic-angle spinning reveals numerous new insights into their structure. 29Si-MAS-NMR readily and quantitatively identifies five distinct Si(OAl)sub(n)(OSi)sub(4-n) structural groups in zeolitic frameworks (n=0,1,...4), corresponding to the first tetrahedral coordination shell of a silicon atom. Many catalytic and other chemical properties of zeolites are governed by the short-range Si, Al order, the nature of which is greatly clarified by 29Si-MAS-NMR. (orig./EF)

  7. 1H MAS, 13C CP/MAS, and 2H NMR spectra studies of piperidinium p-chlorobenzoate

    Anomalous H/D isotope effects were detected in the 1H MAS NMR spectra of piperidinium p-chlorobenzoate (C5H10NH 2+⋅ ClC6H4COO − ) upon deuterium substitution of hydrogen atoms which form two kinds of N-H⋯O H-bonds in the crystal; in contrast to these spectra, only slight chemical shifts were recorded in 13C CP/MAS NMR spectra. 2H NMR spectrum of the deuterated sample show quadrupole coupling constants of 148 and 108 kHz, and reveal that there are a few motions contributing to the electric-field modulation of the 2H nucleus. The 1H MAS NMR spectra of piperidinium p-chlrobenzoate-d16 (C5D10ND 2+⋅ ClC6D4COO − ) and -d14 (C5D10NH 2+⋅ ClC6D4COO − ) revealed that the change in the envelope is caused by chemical shifts of each signal upon deuteration. Calculations based on the density-functional-theory showed that the N-H distance along the crystallographic a-axis mainly contributes to the anomalous isotope effects on 1H MAS NMR envelopes.

  8. Sealed rotors for in situ high temperature high pressure MAS NMR

    Hu, Jian Z. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hu, Mary Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zhao, Zhenchao [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Souchang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Vjunov, Aleksei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shi, Hui [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Camaioni, Donald M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Peden, Charles H. F. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lercher, Johannes A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-07-06

    Magic angle spinning (MAS) nuclear magnetic resonance (NMR) investigations on heterogeneous samples containing solids, semi-solids, liquid and gases or a mixture of them under non-conventional conditions of a combined high pressure and high temperature, or cold temperature suffer from the unavailability of a perfectly sealed rotor. Here, we report the design of reusable and perfectly-sealed all-zircornia MAS rotors. The rotors are easy to use and are suitable for operation temperatures from below 0 to 250 °C and pressures up to 100 bar. As an example of potential applications we performed in situ MAS NMR investigations of AlPO₄-5 molecular sieve crystallization, a kinetic study of the cyclohexanol dehydration reaction using 13C MAS NMR, and an investigation of the metabolomics of intact biological tissue at low temperature using 1H HR-MAS NMR spectroscopy. The in situ MAS NMR experiments performed using the reported rotors allowed reproduction of the results from traditional batch reactions, while offering more detailed quantitative information at the molecular level, as demonstrated for the molecular sieve synthesis and activation energy measurements for cyclohexanol dehydration. The perfectly sealed rotor also shows promising application for metabolomics studies using 1H HR-MAS NMR.

  9. {sup 29}Si MAS NMR for the zeolite Y - gallium oxide system; {sup 29}Si mas NMR dla ukladu fojazyt-tlenek galu

    Sulikowski, B.; Derewinski, M. [Inst. Katalizy i Fizykochemii Powierzchni, Polska Akademia Nauk, Cracow (Poland); Olejniczak, Z.; Segnowski, S. [Institute of Nuclear Physics, Cracow (Poland)

    1994-12-31

    Wide-pore zeolites modified by gallium oxide has been prepared for catalytic use. Its physico-chemical and catalytic properties have been studied. The structure changes of the catalyst have been investigated by means of MAS NMR spectroscopy. Spectra of {sup 29}Si has been described and discussed. 11 refs, 4 figs, 2 tabs.

  10. A software framework for analysing solid-state MAS NMR data

    Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data.

  11. A software framework for analysing solid-state MAS NMR data.

    Stevens, Tim J; Fogh, Rasmus H; Boucher, Wayne; Higman, Victoria A; Eisenmenger, Frank; Bardiaux, Benjamin; van Rossum, Barth-Jan; Oschkinat, Hartmut; Laue, Ernest D

    2011-12-01

    Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data. PMID:21953355

  12. A software framework for analysing solid-state MAS NMR data

    Stevens, Tim J.; Fogh, Rasmus H.; Boucher, Wayne [University of Cambridge, Department of Biochemistry (United Kingdom); Higman, Victoria A. [University of Oxford, Department of Biochemistry (United Kingdom); Eisenmenger, Frank; Bardiaux, Benjamin; Rossum, Barth-Jan van; Oschkinat, Hartmut [Leibniz-Institut fuer Molekulare Pharmakologie, Department of Structural Biology (Germany); Laue, Ernest D., E-mail: e.d.laue@bioc.cam.ac.uk [University of Cambridge, Department of Biochemistry (United Kingdom)

    2011-12-15

    Solid-state magic-angle-spinning (MAS) NMR of proteins has undergone many rapid methodological developments in recent years, enabling detailed studies of protein structure, function and dynamics. Software development, however, has not kept pace with these advances and data analysis is mostly performed using tools developed for solution NMR which do not directly address solid-state specific issues. Here we present additions to the CcpNmr Analysis software package which enable easier identification of spinning side bands, straightforward analysis of double quantum spectra, automatic consideration of non-uniform labelling schemes, as well as extension of other existing features to the needs of solid-state MAS data. To underpin this, we have updated and extended the CCPN data model and experiment descriptions to include transfer types and nomenclature appropriate for solid-state NMR experiments, as well as a set of experiment prototypes covering the experiments commonly employed by solid-sate MAS protein NMR spectroscopists. This work not only improves solid-state MAS NMR data analysis but provides a platform for anyone who uses the CCPN data model for programming, data transfer, or data archival involving solid-state MAS NMR data.

  13. Cp-MAS solid state NMR of secondary metabolites from northeastern Brazil plants

    Aiming to learn more about the 13 C NMR of secondary metabolites in the solid state, as well as to make use of the Cp-MAS probe available in the CENAUREMN (Northeastern Center for Application and Use od NMR) laboratory, an analysis has been performed on the the following six classes of secondary metabolites: diterpenes, coumarins, alkaloids, flavonoids and purines

  14. Natural Abundance 17O, 6Li NMR and Molecular Modeling Studies of the Solvation Structures of Lithium bis(fluorosulfonyl)imide/1,2-dimethoxyethane Liquid Electrolytes

    Wan, Chuan; Hu, Mary Y.; Borodin, Oleg; Qian, Jiangfeng; Qin, Zhaohai; Zhang, Jiguang; Hu, Jian Z.

    2016-03-01

    Natural abundance 17O and 6Li NMR experiments, quantum chemistry and molecular dynamics studies were employed to investigate the solvation structures of Li+ at various concentrations of LiFSI in DME electrolytes in an effort to solve this puzzle. It was found that the chemical shifts of both 17O and 6Li changed with the concentration of LiFSI, indicating the changes of solvation structures with concentration. For the quantum chemistry calculations, the coordinated cluster LiFSI(DME)2 forms at first, and its relative ratio increases with increasing LiFSI concentration to 1 M. Then the solvation structure LiFSI(DME) become the dominant component. As a result, the coordination of forming contact ion pairs between Li+ and FSI- ion increases, but the association between Li+ and DME molecule decreases. Furthermore, at LiFSI concentration of 4 M the solvation structures associated with Li+(FSI-)2(DME), Li+2(FSI-)(DME)4 and (LiFSI)2(DME)3 become the dominant components. For the molecular dynamics simulation, with increasing concentration, the association between DME and Li+ decreases, and the coordinated number of FSI- increases, which is in perfect accord with the DFT results. These results provide more insight on the fundamental mechanism on the very high CE of Li deposition in these electrolytes, especially at high current density conditions.

  15. 29Si and 27Al MAS NMR spectra of mullites from different kaolinites.

    He, Hongping; Guo, Jiugao; Zhu, Jianxi; Yuan, Peng; Hu, Cheng

    2004-04-01

    Mullites synthesized from four kaolinites with different random defect densities have been studied by 27Al and 29Si magic angle spinning nuclear magnetic resonance spectroscopy (MAS NMR) and X-ray diffraction (XRD). All these mullites show the same XRD pattern. However, 29Si and 27Al MAS NMR spectra reveal that the mullites derived from kaolinites with high defect densities, have a sillimanite-type Al/Si ordering scheme and are low in silica, whereas those mullites derived from kaolinites with low defect densities, consist of both sillimanite- and mullite-type Al/Si ordering schemes and are rich in silica. PMID:15084323

  16. Advanced instrumentation for DNP-enhanced MAS NMR for higher magnetic fields and lower temperatures

    Matsuki, Yoh; Idehara, Toshitaka; Fukazawa, Jun; Fujiwara, Toshimichi

    2016-03-01

    Sensitivity enhancement of MAS NMR using dynamic nuclear polarization (DNP) is gaining importance at moderate fields (B0 90 K) with potential applications in chemistry and material sciences. However, considering the ever-increasing size and complexity of the systems to be studied, it is crucial to establish DNP under higher field conditions, where the spectral resolution and the basic NMR sensitivity tend to improve. In this perspective, we overview our recent efforts on hardware developments, specifically targeted on improving DNP MAS NMR at high fields. It includes the development of gyrotrons that enable continuous frequency tuning and rapid frequency modulation for our 395 GHz-600 MHz and 460 GHz-700 MHz DNP NMR spectrometers. The latter 700 MHz system involves two gyrotrons and a quasi-optical transmission system that combines two independent sub-millimeter waves into a single dichromic wave. We also describe two cryogenic MAS NMR probe systems operating, respectively, at T ∼100 K and ∼30 K. The latter system utilizes a novel closed-loop helium recirculation mechanism, achieving cryogenic MAS without consuming any cryogen. These instruments altogether should promote high-field DNP toward more efficient, reliable and affordable technology. Some experimental DNP results obtained with these instruments are presented.

  17. A solid state MAS NMR study of the thermal reactions in alkali-leached aluminosilicates

    The thermal transformations of aluminosilicate minerals such as kaolinite (Al2Si2O5(OH)4) are of importance for the production of both clay-based ceramics and high-technology ceramics such as sialons. Solid-state MAS NMR can provide information about the intermediate stages in the formation of mullite (Al6Si2O13). These intermediates, which are only poorly crystalline and less amenable to XRD study, may include poorly crystalline mullite, a cubic spinel similar to γ-Al2O3 but which has been suggested to contain Si, and other amorphous aluminosilicate phases of variable composition. Since the 29Si and 27Al MAS NMR spectra of all these phases are expected to contain resonances broadly in the same spectral area, unambiguous differentiation of these phases has not so far proved possible by this technique. The work reported here was suggested by the possibility of selective alkali extraction of some of the more silica-rich phases using techniques developed by Chakravorty and Ghosh, which was hoped to reveal the MAS NMR features of the less-leachable phases. NMR study of the leached products after subsequent thermal treatment also provided useful information about the leaching reactions themselves. Copyright (1999) Australasian Ceramic Society

  18. Deuterium and lithium-6 MAS NMR studies of manganese oxide electrode materials

    Paik, Younkee

    Electrolytic manganese dioxide (EMD) is used world wide as the cathode materials in both lithium and alkaline primary (non-rechargeable) batteries. We have developed deuterium and lithium MAS NMR techniques to study EMD and related manganese oxides and hydroxides, where diffraction techniques are of limited value due to a highly defective nature of the structures. Deuterons in EMD, manganite, groutite, and deuterium-intercalated pyrolusite and ramsdellite were detected by NMR, for the first time, and their locations and motions in the structures were analyzed by applying variable temperature NMR techniques. Discharge mechanisms of EMD in alkaline (aqueous) electrolytes were studied, in conjunction with step potential electrochemical spectroscopic (SPECS) method, and five distinctive discharge processes were proposed. EMD is usually heat-treated at about 300--400°C to remove water to be used in lithium batteries. Details of the effects of heat-treatment, such as structural and compositional changes as a function of heat-treatment temperature, were studied by a combination of MAS NMR, XRD, and thermogravimetric analysis. Lithium local environments in heat-treated EMD (HEMD) that were discharged in lithium cells, were described in terms of related environments found in model compounds pyrolusite and ramsdellite where specific Li + sites were detected by MAS NMR and the hyperfine shift scale method of Grey et al. Acid-leaching of Li2MnO3 represents an approach for synthesizing new or modified manganese oxide electrode materials for lithium rechargeable batteries. Progressive removal of lithium from specific crystallographic sites, followed by a gradual change of the crystal structure, was monitored by a combination of NMR and XRD techniques.

  19. (6)Li, (7)Li Nuclear Magnetic Resonance Investigation of Lithium Coordination in Binary Phosphate Glasses

    Alam, T.M.; Boyle, T.J.; Brow, R.K.; Conzone, S.

    1999-02-08

    {sup 6}Li and {sup 7}Li solid state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy has been used to investigate the local coordination environment of lithium in a series of xLi{sub 2}O {center_dot} (1-x)P{sub 2}O{sub 5} glasses, where 0.05 {le} x {le} 0.55. Both the {sup 6}Li and {sup 7}Li show chemical shift variations with changes in the Li{sub 2}O concentration, but the observed {sup 6}Li NMR chemical shifts closely approximate the true isotropic chemical shift and can provide a measure of the lithium bonding environment. The {sup 6}Li NMR results indicate that in this series of lithium phosphate glasses the Li atoms have an average coordination between four and five. The results for the metaphosphate glass agree with the coordination number and range of chemical shifts observed for crystalline LiPO{sub 3}. An increase in the {sup 6}Li NMR chemical shift with increasing Li{sub 2}O content was observed for the entire concentration range investigated, correlating with increased cross-linking of the phosphate tetrahedral network by O-Li-O bridges. The {sup 6}Li chemical shifts were also observed to vary monotonically through the anomalous glass transition temperature (T{sub g}) minimum. This continuous chemical shift variation shows that abrupt changes in the Li coordination environment do not occur as the Li{sub 2}O concentration is increased, and such abrupt changes can not be used to explain the T{sub g} minimum.

  20. (11)B MAS NMR and First-Principles Study of the [OBO3] Pyramids in Borates.

    Zhou, Bing; Sun, Wei; Zhao, Biao-Chun; Mi, Jin-Xiao; Laskowski, Robert; Terskikh, Victor; Zhang, Xi; Yang, Lingyun; Botis, Sanda M; Sherriff, Barbara L; Pan, Yuanming

    2016-03-01

    Borates are built from the [Bϕ3] planar triangles and the [Bϕ4] tetrahedral groups, where ϕ denotes O or OH. However, the [Bϕ4] groups in some borates are highly distorted to include three normal B-O bonds and one anomalously long B-O bond and, therefore, are best described as the [OBO3] pyramids. Four synthetic borates of the boracite-type structures (Mg3B7O13Br, Cu3B7O13Br, Zn3B7O13Cl, and Mg3B7O13Cl) containing a range of [OBO3] pyramids were investigated by multifield (7.05, 14.1, and 21.1 T) (11)B magic-angle spinning nuclear magnetic resonance (MAS NMR), triple quantum (3Q) MAS NMR experiments, as well as density functional theory calculations. The high-resolution (11)B MAS NMR spectra supported by theoretical predictions show that the [OBO3] pyramids are characterized by isotropic chemical shifts δiso((11)B) from 1.4(1) to 4.9(1) ppm and nuclear quadrupole parameters CQ((11)B) up to 1.3(1) MHz, both significantly different from those of the [BO4] and [BO3] groups in borates. These δiso((11)B) and CQ((11)B) values indicate that the [OBO3] pyramids represent an intermediate state between the [BO4] tetrahedra and [BO3] triangles and demonstrate that the (11)B NMR parameters of four-coordinate boron oxyanions are sensitive to local structural environments. The orientation of the calculated unique electronic field gradient tensor element Vzz of the [OBO3] pyramids is aligned approximately along the direction of the anomalously long B-O bond, corresponding to B-2pz with the lowest electron density. PMID:26914372

  1. Bulk carbohydrate grain filling of barley ß-glucan mutants studied by 1H HR MAS NMR

    Seefeldt, Helene Fast; Larsen, Flemming Hofmann; Viereck, Nanna;

    2008-01-01

    Temporal and genotypic differences in bulk carbohydrate accumulation in three barley genotypes differing in the content of mixed linkage β-(1→3),(1→4)-D-glucan (β-glucan) and starch were investigated using proton high-resolution, magic angle spinning, nuclear magnetic resonance (1H HR MAS NMR......) during grain filling. For the first time, 1H HR MAS NMR spectra of flour from immature barley seeds are analyzed. Spectral assignments are made using two-dimensional (2D) NMR methods. Both α- and β-glucan biosynthesis were characterized by inspection of the spectra as well as by calibration to the...

  2. 31P MAS-NMR of human erythrocytes: independence of cell volume from angular velocity.

    Kuchel, P W; Bubb, W A; Ramadan, S; Chapman, B E; Philp, D J; Coen, M; Gready, J E; Harvey, P J; McLean, A J; Hook, J

    2004-09-01

    31P magic angle spinning NMR (MAS-NMR) spectra were obtained from suspensions of human red blood cells (RBCs) that contained the cell-volume-sensitive probe molecule, dimethyl methylphosphonate (DMMP). A mathematical representation of the spectral-peak shape, including the separation and width-at-half-height in the 31P NMR spectra, as a function of rotor speed, enabled us to explore the extent to which a change in cell volume would be reflected in the spectra if it occurred. We concluded that a fractional volume change in excess of 3% would have been detected by our experiments. Thus, the experiments indicated that the mean cell volume did not change by this amount even at the highest spinning rate of 7 kHz. The mean cell volume and intracellular 31P line-width were independent of the packing density of the cells and of the initial cell volume. The relationship of these conclusions to other non-NMR studies of pressure effects on cells is noted. PMID:15334588

  3. Raman and 31P MAS NMR spectroscopic studies of lead phosphate glasses containing thorium oxide

    (PbO)0.5(P2O5)0.5 glasses in which part of the PbO/ P2O5 was replaced by ThO2 up to 10 mol% have been prepared by conventional melt quench method and characterized by Raman and 31P MAS NMR spectroscopic studies. Raman studies of these samples clearly revealed the existence of PO4 structural units having two non bridging oxygen atoms attached to phosphorus (PO22-). The 31P MAS NMR studies indicated the presence of two types of phosphorus structural units in both PbO -P2O5 and PbO-P2O5-ThO2 glasses, namely Q2 and Q1 (PO4 structural units with 2 and 1 bridging oxygen atoms respectively). Increase in the concentration of ThO2 at the expense of both PbO/P2O5 has been found to result in the increased amount of Q1 structural units of phosphorus, indicating that ThO2 acts as only a network modifier. ThO2 has been found to form the glassy phase with PbO-P2O5 system only up to 10 mol%. (author)

  4. Structural analysis of molybdo-zinc-phosphate glasses: Neutron scattering, FTIR, Raman scattering, MAS NMR studies

    Renuka, C.; Shinde, A. B.; Krishna, P. S. R.; Reddy, C. Narayana

    2016-08-01

    Vitreous samples were prepared in the xMoO3-17ZnO-(83-x) NaPO3 with 35 ≥ x ≥ 55 glass forming system by energy efficient microwave heating method. Structural evolution of the vitreous network was monitored as a function of composition by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), Raman scattering, Magic Angle Spin Nuclear magnetic resonance (MAS NMR) and Neutron scattering. Addition of MoO3 to the ZnO-NaPO3 glass leads to a pronounced increase in glass transition temperature (Tg) suggesting a significant increase in network connectivity and strength. In order to analyze FTIR and Raman scattering, a simple structural model is presented to rationalize the experimental observations. A number of structural units are formed due to network modification, and the resulting glass may be characterized by a network polyhedral with different numbers of unshared corners. 31P MAS NMR confirms a clear distinction between structural species having 3, 2, 1, 0 bridging oxygens (BOs). Further, Neutron scattering studies were used to probe the structure of these glasses. The result suggests that all the investigated glasses have structures based on chains of four coordinated phosphate and six coordinated molybdate units, besides, two different lengths of P-O bonds in tetrahedral phosphate units that are assigned to bonds of the P-atom with terminal and bridging oxygen atoms.

  5. Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR

    Eddy, Matthew T. [The Scripps Research Institute, Department of Integrative Structural and Computational Biology (United States); Su, Yongchao; Silvers, Robert; Andreas, Loren; Clark, Lindsay [Massachusetts Institute of Technology, Department of Chemistry (United States); Wagner, Gerhard [Harvard Medical School, Department of Biological Chemistry and Molecular Pharmacology (United States); Pintacuda, Guido; Emsley, Lyndon [Université de Lyon, Centre de RMN à Très Hauts Champs, Institut des Sciences Analytiques (CNRS, ENS Lyon, UCB Lyon 1) (France); Griffin, Robert G., E-mail: rgg@mit.edu [Massachusetts Institute of Technology, Department of Chemistry (United States)

    2015-04-15

    The human voltage dependent anion channel 1 (VDAC) is a 32 kDa β-barrel integral membrane protein that controls the transport of ions across the outer mitochondrial membrane. Despite the determination of VDAC solution and diffraction structures, a structural basis for the mechanism of its function is not yet fully understood. Biophysical studies suggest VDAC requires a lipid bilayer to achieve full function, motivating the need for atomic resolution structural information of VDAC in a membrane environment. Here we report an essential step toward that goal: extensive assignments of backbone and side chain resonances for VDAC in DMPC lipid bilayers via magic angle spinning nuclear magnetic resonance (MAS NMR). VDAC reconstituted into DMPC lipid bilayers spontaneously forms two-dimensional lipid crystals, showing remarkable spectral resolution (0.5–0.3 ppm for {sup 13}C line widths and <0.5 ppm {sup 15}N line widths at 750 MHz). In addition to the benefits of working in a lipid bilayer, several distinct advantages are observed with the lipid crystalline preparation. First, the strong signals and sharp line widths facilitated extensive NMR resonance assignments for an integral membrane β-barrel protein in lipid bilayers by MAS NMR. Second, a large number of residues in loop regions were readily observed and assigned, which can be challenging in detergent-solubilized membrane proteins where loop regions are often not detected due to line broadening from conformational exchange. Third, complete backbone and side chain chemical shift assignments could be obtained for the first 25 residues, which comprise the functionally important N-terminus. The reported assignments allow us to compare predicted torsion angles for VDAC prepared in DMPC 2D lipid crystals, DMPC liposomes, and LDAO-solubilized samples to address the possible effects of the membrane mimetic environment on the conformation of the protein. Concluding, we discuss the strengths and weaknesses of the

  6. Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR

    The human voltage dependent anion channel 1 (VDAC) is a 32 kDa β-barrel integral membrane protein that controls the transport of ions across the outer mitochondrial membrane. Despite the determination of VDAC solution and diffraction structures, a structural basis for the mechanism of its function is not yet fully understood. Biophysical studies suggest VDAC requires a lipid bilayer to achieve full function, motivating the need for atomic resolution structural information of VDAC in a membrane environment. Here we report an essential step toward that goal: extensive assignments of backbone and side chain resonances for VDAC in DMPC lipid bilayers via magic angle spinning nuclear magnetic resonance (MAS NMR). VDAC reconstituted into DMPC lipid bilayers spontaneously forms two-dimensional lipid crystals, showing remarkable spectral resolution (0.5–0.3 ppm for 13C line widths and <0.5 ppm 15N line widths at 750 MHz). In addition to the benefits of working in a lipid bilayer, several distinct advantages are observed with the lipid crystalline preparation. First, the strong signals and sharp line widths facilitated extensive NMR resonance assignments for an integral membrane β-barrel protein in lipid bilayers by MAS NMR. Second, a large number of residues in loop regions were readily observed and assigned, which can be challenging in detergent-solubilized membrane proteins where loop regions are often not detected due to line broadening from conformational exchange. Third, complete backbone and side chain chemical shift assignments could be obtained for the first 25 residues, which comprise the functionally important N-terminus. The reported assignments allow us to compare predicted torsion angles for VDAC prepared in DMPC 2D lipid crystals, DMPC liposomes, and LDAO-solubilized samples to address the possible effects of the membrane mimetic environment on the conformation of the protein. Concluding, we discuss the strengths and weaknesses of the reported

  7. Relation Between Acid and Catalytic Properties of Chlorinated Gamma-Alumina. a 31p Mas Nmr and Ftir Investigation

    Guillaume D.

    1999-07-01

    Full Text Available In this paper, we have studied the effect of chlorine on the surface properties of gamma-alumina, especially on their acid properties. The use of FTIR spectroscopy and 31P MAS NMR of adsorbed trimethylphosphine allows to propose a chlorination mechanism. To correlate the surface properties of these chlorinated gamma-alumina with their catalytic properties, we have used a model reaction, the cracking of n-heptane under reforming conditions. The analysis of the correlation between acid properties determined by 31P MAS NMR and the catalytic results (in terms of activities and selectivities allows to identify which sites are involved in the cracking reaction.

  8. Study of Surface Modification Mechanism of Calcined Kaolin by MAS NMR

    杨晓杰; 邓飞皇; 张蓓

    2002-01-01

    The 29Si and 27Al in modified and unmodified calcined kaolin were res earched and compared by using MAS NMR. The result shows that the chemical shift of -106×10-6 of 29Si almost keeps unchanged after being modifie d, but 27Al cha nges obviously. The chemical shift of 5.44×10-6 and 65.69×10-6 of 27Al are sep arately shifted to 3.8×10-6-4.4×10-6 and 54.6×10-6-59.9×1 0-6 after being mod ified. And the chemical modification of kaolin is completed by linking with Al o n the surface of it.

  9. 1H MAS NMR spectra of hy- droxyl species on diatomite surface

    2001-01-01

    High spinning speed 1H magic-angle spinning nuclear magnetic resonance (1H MAS NMR) was used to detect surface hydroxyl groups of diatomite, which include isolated hydroxyl groups and hydrogen-bonded hydroxyl groups, and water adsorbed on diatomite surface that include pore water and hydrogen-bonded water. The corresponding proton chemical shifts of above species are ca. 2.0, 6.0-7.1, 4.9 and 3.0 respectively. Accompanied by thermal treatment temperature ascending, the pore water and hydrogen-bonded water are desorbed successively. As a result, the relative intensities of the peaks assigned to protons of isolat-ed hydroxyl groups and hydrogen-bonded hydroxyl groups increase gradually and reach their maxima at 1000℃. After 1100℃ calcination, the hydroxyl groups that classified to strongly hydrogen-bonded ones and the isolated hydroxyl groups condense basically. But some weakly hydrogen-bonded hydroxyl groups may still persist in the micropores.

  10. The structural environments of cations adsorbed onto clays: A 133CsMAS NMR spectroscopic study

    Chapter One investigates the local structural environment of adsorbed cations on the mineral hectorite using 133Ca Variable-Temperature Magic-Angle-Spinning Nuclear Magnetic Resonance (VT-MAS NMR) spectroscopy. The results show that Cs on hectorite occurs in several distinctly different chemical environments, and that motional averaging of Ca between some of these sites occurs above ∼-40 degree C if water is present in the interlayer. Above ∼-10 degree C, spectra for slurries of hectorite in CsCl solutions yield two peaks, one due to Cs in solution, and the other due to Cs motionally-averaged on the clay. Below ∼-60 degree C, motional averaging of the adsorbed Cs slows sufficiently to allow resolution of two peaks representing different Cs-environments on the clay. The Stern-Gouy model is employed to explain these peaks and assign one to Cs in the Stern layer (relatively tightly bound to the basal oxygens), and the other to Cs in the Gouy diffuse layer. Between ∼-60 and ∼-10 degree C peaks for these two sites and a motionally-averaged peak are present. Cs-exchanged hectorite dehydrated at 500 degree C yields peaks for two different sites on the clay, interpreted to be highly coordinated site (probably 12), and a less coordinated site (possibly 9), both in the interlayer. Chapter II discusses 133Cs MAS NMR results for a number of other Cs-exchanged clays and the relationship of chemical and structural parameters to the 133Cs chemical shift. Increased rotational distortions of the basal oxygen sheet, total layer charge and tetrahedral Al3+ for Si4+ substitution correlate with increased deshielding of the 133Cs chemical shifts for both hydrated slurry and anhydrous samples. Correlations for the slurries are poorer because of the distances between the clay silicate and the CO in solution

  11. Sensitivity enhancement using paramagnetic relaxation in MAS solid-state NMR of perdeuterated proteins

    Linser, Rasmus; Chevelkov, Veniamin; Diehl, Anne; Reif, Bernd

    2007-12-01

    Previously, Ishii et al., could show that chelated paramagnetic ions can be employed to significantly decrease the recycle delay of a MAS solid-state NMR experiment [N.P. Wickramasinghe, M. Kotecha, A. Samoson, J. Past, Y. Ishii, Sensitivity enhancement in C-13 solid-state NMR of protein microcrystals by use of paramagnetic metal ions for optimizing H-1 T-1 relaxation, J. Magn. Reson. 184 (2007) 350-356]. Application of the method is limited to very robust samples, for which sample stability is not compromised by RF induced heating. In addition, probe integrity might be perturbed in standard MAS PRE experiments due to the use of very short duty cycles. We show that these deleterious effects can be avoided if perdeuterated proteins are employed that have been re-crystallized from D 2O:H 2O = 9:1 containing buffer solutions. The experiments are demonstrated using the SH3 domain of chicken α-spectrin as a model system. The labeling scheme allows to record proton detected 1H, 15N correlation spectra with very high resolution in the absence of heteronuclear dipolar decoupling. Cu-edta as a doping reagent yields a reduction of the recycle delay by up to a factor of 15. In particular, we find that the 1H T1 for the bulk H N magnetization is reduced from 4.4 s to 0.3 s if the Cu-edta concentration is increased from 0 mM to 250 mM. Possible perturbations like chemical shift changes or line broadening due to the paramagnetic chelate complex are minimal. No degradation of our samples was observed in the course of the experiments.

  12. Residue specific hydration of primary cell wall potato pectin identified by solid-state 13C single-pulse MAS and CP/MAS NMR spectroscopy.

    Larsen, Flemming H; Byg, Inge; Damager, Iben; Diaz, Jerome; Engelsen, Søren B; Ulvskov, Peter

    2011-05-01

    Hydration of rhamnogalacturonan-I (RG-I) derived from potato cell wall was analyzed by (13)C single-pulse (SP) magic-angle-spinning (MAS) and (13)C cross-polarization (CP) MAS nuclear magnetic resonance (NMR) and supported by (2)H SP/MAS NMR experiments. The study shows that the arabinan side chains hydrate more readily than the galactan side chains and suggests that the overall hydration properties can be controlled by modifying the ratio of these side chains. Enzymatic modification of native (NA) RG-I provided samples with reduced content of arabinan (sample DA), galactan (sample DG), or both side chains (sample DB). Results of these samples suggested that hydration properties were determined by the length and character of the side chains. NA and DA exhibited similar hydration characteristics, whereas DG and DB were difficult to hydrate because of the less hydrophilic properties of the rhamnose-galacturonic acid (Rha-GalA) backbone in RG-I. Potential food ingredient uses of RG-I by tailoring of its structure are discussed. PMID:21462966

  13. Characterization of solid polymer dispersions of active pharmaceutical ingredients by 19F MAS NMR and factor analysis

    Urbanová, Martina; Brus, Jiří; Šeděnková, Ivana; Policianová, Olivia; Kobera, Libor

    2013-01-01

    Roč. 100, 1 January (2013), s. 59-66. ISSN 1386-1425 R&D Projects: GA ČR GPP106/11/P426; GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Institutional support: RVO:61389013 Keywords : solid-state NMR * factor analysis * 19F MAS NMR Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 2.129, year: 2013

  14. Investigations of Li-containing SiCN(O) ceramics via 7Li MAS NMR.

    Gumann, Sina; Nestle, Nikolaus; Liebau-Kunzmann, Verena; Riedel, Ralf

    2007-04-01

    Lithium-containing silicon (oxy)carbonitride ceramics (SiCN(O):Li) were synthesized via precursor-to-ceramic-transformation of Li-containing (poly)silazanes. The precursors were obtained by lithiation of 2,4,6-trimethyl-2,4,6-trivinylcyclotrisilazane with n-butyllithium and by reaction of a commercial poly(organosilazane) VL20 with metallic lithium. The annealing treatment was carried out at temperatures between 200 and 1400 degrees C in argon (DeltaT=200 degrees C) and yielded Li-containing silicon (oxy)carbonitride. X-ray powder diffraction revealed that the resulting SiCN(O):Li ceramics were basically amorphous up to temperatures of 1000 degrees C and formed LiSi(2)N(3), graphite and silicon carbide as crystalline phases at higher temperatures. (7)Li MAS NMR spectroscopy was carried out to investigate the structure of the Li-containing phases and to study the reaction path of metallic Li with polysilazane. Based on the NMR spectra, there is almost no difference found in the chemical shift of the SiCN(O):Li ceramics obtained at different temperatures. Accordingly, Li is assigned to be mainly coordinated to N and O present as contaminant element. Relaxation time measurements showed that the most mobile Li(+) species seems to be present in the product obtained in the pyrolysis temperature range between 600 and 1000 degrees C. PMID:17418540

  15. Comparison of the 1H NMR analysis of solids by the CRAMPS and MAS-only techniques

    Dec, Steven F.; Bronnimann, Charles E.; Wind, Robert A.; Maciel, Gary E.

    1H NMR spectra are reported on eight representative solid samples, including pure powdered crystalline samples, synthetic organic polymers, a silica gel, HY zeolite, and a lignite. Spectra were obtained by the following three approaches: (1) single pulse on a static sample, (2) CRAMPS, and (3) single pulse with magic-angle spinning (MAS-only). The MAS-only results were obtained as a function of MAS speed. Although the MAS-only technique is capable of achieving a significant degree of line narrowing, even with modest MAS speeds, MAS-only spectra of the general quality of the apparently undistorted high-resolution 1H spectra obtained by the CRAMPS technique are not obtained at the highest MAS speeds examined (21 kHz for a polymethylmethacrylate sample), unless the 1H- 1H dipolar interactions in the sample are rather weak, as with silica gel or a zeolite. Thus, caution should be exercised in interpreting 1H MAS-only spectra, especially if CRAMPS results are not available as a calibration.

  16. New perspectives of 19F MAS NMR in the characterization of amorphous forms of atorvastatin in dosage formulations

    Brus, Jiří; Urbanová, Martina; Šeděnková, Ivana; Brusová, H.

    2011-01-01

    Roč. 409, 1/2 (2011), s. 62-74. ISSN 0378-5173 R&D Projects: GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Keywords : 19F MAS NMR * factor analysis * polymorphism Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.350, year: 2011

  17. Reaction Mechanisms in the Li3AlH6/LiBH4 and Al/LiBH4 Systems for Reversible Hydrogen Storage. Part 2: Solid-State NMR Studies

    Choi, Young Joon; Lu, Jun; Sohn, Hong Yong; Fang, Zhigang Zak; Kim, Chul; Bowman, Robert C.; Hwang, Son-Jong

    2011-09-01

    In Part 1, the promising hydrogen storage properties of the combined systems of Li3AlH6/LiBH4 and Al/LiBH4, exhibiting the favorable formation of AlB2 during dehydrogenation, were presented based on TGA and XRD analyses. The present Part 2 describes the characterization of the intermediate and final products of the dehydrogenation and rehydrogenation of the above systems by multinuclear solid state NMR characterization. This work has also verified that the presence of Al resulted in the re-formation of LiBH4 occurring at a much lower temperature and H2 pressure, under which conditions the dehydrogenation product from LiBH4 alone does not show any degree of rehydrogenation. NMR studies mainly identified various reaction intermediates for LiBH4 dehydrogenation/rehydrogenation reactions. Unlike the XRD studies, the AlB2 formation in particular could not be unambiguously confirmed by NMR. 27Al NMR showed that aluminum was mainly involved in various Li-Al alloy formations. The catalytic role of Al in the LiBH4 hydrogen storage reactivity could be achieved by a reversible cycle of Al + LiH ↔ LiAl + 1/2H2 reaction.

  18. Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

    Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2015-10-14

    Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), {sup 1}H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong {sup 1}H–{sup 1}H homonuclear dipolar couplings and narrow {sup 1}H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) {sup 1}H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about {sup 1}H–{sup 1}H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic

  19. Structural nature of 7Li and 11B sites in the nonlinear optical material LiB3O5 using static NMR and MAS NMR

    The structural nature of the nonlinear optical properties of LiB3O5 is analyzed using single-crystal nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The 3-coordinated trigonal [B(1) and B(2)] and 4-coordinated tetragonal [B(3)] sites are distinguished using the spectrum and the spin-lattice relaxation time in rotating frame T1ρ, which was obtained from the 11B MAS NMR. Moreover, the T1 and T1ρ values for 7Li and 11B are compared, and the activation energies were obtained. The T1ρ values of the boron nuclei in LiB3O5 show no significant changes. These results may be closely related to the largest second-order nonlinear optical coefficient. - Highlights: • The structural nature of the nonlinear optical properties of LiB3O5. • Single-crystal NMR and MAS NMR. • The 3-coordnated trigonal and 4-coordinated tetragonal. • The spin-lattice relaxation time in rotating frame T1ρ

  20. Rapid identification of osmolytes in tropical microalgae and cyanobacteria by (1)H HR-MAS NMR spectroscopy.

    Zea Obando, Claudia; Linossier, Isabelle; Kervarec, Nelly; Zubia, Mayalen; Turquet, Jean; Faÿ, Fabienne; Rehel, Karine

    2016-06-01

    In this study, we report the chemical characterization of 47 tropical microalgae and cyanobacteria by HR-MAS. The generated data confirm the interest of HR-MAS as a rapid screening technique with the major advantage of its easiness. The sample is used as powder of freeze-dried microalgae without any extraction process before acquisition. The spectral fingerprints of strains are then tested as variables for a chemotaxonomy study to discriminate cyanobacteria and dinoflagellates. The individual factor map generated by PCA analysis succeeds in separating the two groups, essentially thanks to the presence of specific carbohydrates. Furthermore, more resolved signals enable to identify many osmolytes. More precisely the characteristics δ of 2-O-alpha-D-glucosylglycerol (GG) are observed in all 21 h-MAS spectra of tropical cyanobacteria. After specific extraction, complementary analysis by 1D and 2D-NMR spectroscopies validates the identification of this osmolyte. PMID:27130130

  1. X-ray and MAS NMR characterization of the thermal transformation of Li(Na)-Y zeolite to lithium aluminosilicates

    The high temperature thermal transformation of Li-exchanged Na-Y zeolite has been investigated by X-ray diffraction and /sup 29/Si MAS NMR studies. At 7000C, the zeolite was transformed into an amorphous phase and upon further heating to 8000C, formation of lithium aluminosilicate with high-quartz structure, in addition to an amorphous phase, was noted. When heated above 9000C, the high-quartz structure was transformed into a β-spodumene related solid solution. X-ray and MAS NMR studies indicate the β-spodumene solid solution formed has the composition close to (Li/sub 0.23/Na/sub 0.06/)A iota /sub 0.29/Si/sub 0.71/O/sub 2/, which is in agreement with chemical analysis

  2. Characterization of solid polymer dispersions of active pharmaceutical ingredients by 19F MAS NMR and factor analysis

    Urbanova, Martina; Brus, Jiri; Sedenkova, Ivana; Policianova, Olivia; Kobera, Libor

    In this contribution the ability of 19F MAS NMR spectroscopy to probe structural variability of poorly water-soluble drugs formulated as solid dispersions in polymer matrices is discussed. The application potentiality of the proposed approach is demonstrated on a moderately sized active pharmaceutical ingredient (API, Atorvastatin) exhibiting extensive polymorphism. In this respect, a range of model systems with the API incorporated in the matrix of polvinylpyrrolidone (PVP) was prepared. The extent of mixing of both components was determined by T1(1H) and T1ρ(1H) relaxation experiments, and it was found that the API forms nanosized domains. Subsequently it was found out that the polymer matrix induces two kinds of changes in 19F MAS NMR spectra. At first, this is a high-frequency shift reaching 2-3 ppm which is independent on molecular structure of the API and which results from the long-range polarization of the electron cloud around 19F nucleus induced by electrostatic fields of the polymer matrix. At second, this is broadening of the signals and formation of shoulders reflecting changes in molecular arrangement of the API. To avoid misleading in the interpretation of the recorded 19F MAS NMR spectra, because both the contributions act simultaneously, we applied chemometric approach based on multivariate analysis. It is demonstrated that factor analysis of the recorded spectra can separate both these spectral contributions, and the subtle structural differences in the molecular arrangement of the API in the nanosized domains can be traced. In this way 19F MAS NMR spectra of both pure APIs and APIs in solid dispersions can be directly compared. The proposed strategy thus provides a powerful tool for the analysis of new formulations of fluorinated pharmaceutical substances in polymer matrices.

  3. 1H MAS NMR characterization of hydrogen over silica-supported rhodium catalyst

    2001-01-01

    Hydrogen species in both SiO2 and Rh/SiO2 catalysts pretreated indifferent atmospheres (H2, O2, helium or air) at different temperatures (773 or 973 K) were investigated by means of 1H MAS NMR. In SiO2 and O2-pretreated catalysts, a series of downfield signals at ~7.0, 3.8-4.0, 2.0 and 1.5-1.0 were detected. The first two signals can be attributed to strongly adsorbed and physisorbed water and the others to terminal silanol (SiOH) and SiOH under the screening of oxygen vacancies in SiO2 lattice, respectively. Besides the above signals, both upfield signal at ~-110 and downfield signals at 3.0 and 0.0 were also detected in H2-pretreated catalyst, respectively. The upfield signal at ~-110 originated from the dissociative adsorption of H2 over rhodium and was found to consist of both the contributions of reversible and irreversible hydrogen. There also probably existed another dissociatively adsorbed hydrogen over rhodium, which was known to be b hydrogen and in a unique form of "delocalized hydrogen". It was presumed that the b hydrogen had an upfield shift of ca. -20- -50, though its 1H NMR signals, which, having been masked by the spinning sidebands of Si-OH, failed to be directly detected out. The downfield signal at 3.0 was assigned to spillover hydrogen weakly bound by the bridge oxygen of SiO2. Another downfield signal at 0.0 was assigned to hydrogen held in the oxygen vacancies of SiO2 (Si-H species), suffering from the screening of trapped electrons. Both the spillover hydrogen and the Si-H resulted from the migration of the reversible hydrogen and the b hydrogen from rhodium to SiO2 in the close vicinity. It was proved that the above migration of hydrogen was preferred to occur at higher temperature than at lower temperature.

  4. Pion electroproduction from 6Li

    The pion electroproduction cross section from 6Li is calculated assuming the 6He nucleus is detected. The wave functions used in this calculation are those which gave the best agreement with the 6Li(γ, π+)6He data. The electroproduction experiment will provide a useful check of these wave functions. (Auth.)

  5. MAS-NMR study of lithium zinc silicate glasses and glass-ceramics with various ZnO content

    Lithium zinc silicate glasses of composition (mol%): 17.5Li2O-(72-x)SiO2-xZnO-5.1Na2O-1.3P2O5-4.1B2O3, 5.5≤x≤17.7, were prepared by conventional melt-quenched technique and converted to glass-ceramic by controlled crystallization process. 29Si and 31P MAS-NMR was used to characterize the structure of both glass and glass-ceramic samples. Despite the complex glass composition, Q2, Q3 and Q4 sites are identified from 29Si MAS-NMR, which relative intensities are found to vary with the ZnO content, indicating a network depolymerization by ZnO. Moreover, well separated Q3 and Q4 resonances for low ZnO content indicates the occurrence of phase separation. From 31P MAS-NMR, it is seen that phosphorus is mainly present in the form of ortho-(Q0) and pyro-phosphate (Q1) structural units and variation of ZnO content did not have much effect on these resonances, which provides an additional evidence for phase separation in the glass. On conversion to glass-ceramics, lithium disilicate (Li2Si2O5), lithium zinc ortho-silicate (Li3Zn0.5SiO4), tridymite (SiO2) and cristobalite (SiO2) were identified as major silicate crystalline phases. Using 29Si MAS-NMR, quantification of these silicate crystalline phases is carried out and correlated with the ZnO content in the glass-ceramics samples. In addition, 31P spectra unambiguously revealed the presence of crystalline Li3PO4 and (Na,Li)3PO4 in the glass-ceramics. - Graphical abstract: 29Si and 31P MAS-NMR analyses were carried out on multi-component Li2O-SiO2-ZnO-Na2O-P2O5-B2O3 glasses and glass-ceramics developed for sealing application. Structural data are reported, including phase separation process and quantification of amorphous and crystalline phases

  6. Temperature {sup 1}H, {sup 13}C, {sup 15}N NMR and CP/MAS {sup 15}N NMR spectra of benzotriazole derivatives - prototropic tautomerism; Widma temperaturowe {sup 1}H, {sup 13}C, {sup 15}N NMR oraz CP/MAS {sup 15}N NMR pochodnych benzotriazolu - tautomeria prototropowa

    Wiench, J.W.; Stefaniak, L. [Inst. Chemii Organicznej, Polska Akademia Nauk, Warsaw (Poland)

    1994-12-31

    The prototropic tautomerism in benzotriazole derivatives solutions has been investigated in different temperatures by means of {sup 1}H, {sup 13}C and {sup 15}N NMR and {sup 15}N CP/MAS NMR spectra. The ratio of different tautomeric forms and kinetics of proton exchange have been measured for the systems studied on the base of observed spectroscopic factors. 5 refs, 2 figs, 3 tabs.

  7. Contribution to the study of 6Li + 6Li et 6Li + 9Be reactions

    This research thesis reports measurements of coincidence between γ rays and particles charged in 6Li + 6Li and 6Li + 9Be reactions. These measurements have been repeated with some technical improvements which are described: discrimination between protons and alphas of 7Li* + 4He + p, simultaneous recording of fortuitous coincidences, assessment of the proportion of charged particles at a final state beyond the detection threshold. 'alpha-alpha' coincidences of the 6Li + 6Li → 3α reaction have also been recorded in conditions which better suited the rough study of the middle of the Dalitz diagram than the precise study of the burst into two energetic alphas. Some information have been obtained from 'alpha-p' coincidences of 7Li* + 4He + p and 7Li* + 4He + p. For these measurements, a multi-parametric installation has been developed for the recording of angular correlations at several simultaneous angles

  8. Determination of the structural changes by Raman and 13C CP/MAS NMR spectroscopy on native corn starch with plasticizers

    The plasticizing - antiplasticizing effect of water and glycerol contents on native corn starch samples is investigated by FT-Raman and 13C CP/MAS NMR spectroscopy. The presence of both amorphous and crystalline structural phases was evidenced in pure native corn starch and also in the samples containing plasticizers. Among the crystalline starch structures, the A- and V- types were suggested by CP/MAS NMR spectra

  9. Determination of the structural changes by Raman and {sup 13}C CP/MAS NMR spectroscopy on native corn starch with plasticizers

    Cozar, O. [Academy of Romanian Scientists, Splaiul Independentei 54, 050094, Bucharest, Romania and National Institute of Research-Development for Machines and Installations Designed to Agriculture and Food Industry - INMA Bucureşti - Cluj-Napoca Branch (Romania); Filip, C.; Tripon, C. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath, 400293 Cluj-Napoca (Romania); Cioica, N.; Coţa, C.; Nagy, E. M. [National Institute of Research-Development for Machines and Installations Designed to Agriculture and Food Industry - INMA Bucureşti - Cluj-Napoca Branch, RO-400458 Cluj-Napoca (Romania)

    2013-11-13

    The plasticizing - antiplasticizing effect of water and glycerol contents on native corn starch samples is investigated by FT-Raman and {sup 13}C CP/MAS NMR spectroscopy. The presence of both amorphous and crystalline structural phases was evidenced in pure native corn starch and also in the samples containing plasticizers. Among the crystalline starch structures, the A- and V- types were suggested by CP/MAS NMR spectra.

  10. 1H HR-MAS NMR Spectroscopy and the Metabolite Determination of Typical Foods in Mediterranean Diet

    Carmelo Corsaro

    2015-01-01

    Full Text Available NMR spectroscopy has become an experimental technique widely used in food science. The experimental procedures that allow precise and quantitative analysis on different foods are relatively simple. For a better sensitivity and resolution, NMR spectroscopy is usually applied to liquid sample by means of extraction procedures that can be addressed to the observation of particular compounds. For the study of semisolid systems such as intact tissues, High-Resolution Magic Angle Spinning (HR-MAS has received great attention within the biomedical area and beyond. Metabolic profiling and metabolism changes can be investigated both in animal organs and in foods. In this work we present a proton HR-MAS NMR study on the typical vegetable foods of Mediterranean diet such as the Protected Geographical Indication (PGI cherry tomato of Pachino, the PGI Interdonato lemon of Messina, several Protected Designation of Origin (PDO extra virgin olive oils from Sicily, and the Traditional Italian Food Product (PAT red garlic of Nubia. We were able to identify and quantify the main metabolites within the studied systems that can be used for their characterization and authentication.

  11. Chemical profile of beans cultivars (Phaseolus vulgaris) by 1H NMR - high resolution magic angle spinning (HR-MAS);Perfil quimico de cultivares de feijao (Phaseolus vulgaris) pela tecnica de high resolution magic angle spinning (HR-MAS)

    Liao, Luciano Morais; Choze, Rafael; Cavalcante, Pedro Paulo Araujo; Santos, Suzana da Costa; Ferri, Pedro Henrique, E-mail: luciano@quimica.ufg.b [Universidade Federal de Goias (UFG), Goiania, GO (Brazil). Inst. de Quimica; Ferreira, Antonio Gilberto [Universidade Federal de Sao Carlos (UFScar), SP (Brazil). Dept. de Quimica

    2010-07-01

    The application of one-dimensional proton high-resolution magic angle spinning ({sup 1}H HR-MAS) NMR combined with a typical advantages of solid and liquid-state NMR techniques was used as input variables for the multivariate statistical analysis. In this paper, different cultivars of beans (Phaseolus vulgaris) developed and in development by EMBRAPA - Arroz e Feijao were analyzed by {sup 1}H HR-MAS, which have been demonstrated to be a valuable tool in its differentiation according chemical composition and avoid the manipulation of the samples as used in other techniques. (author)

  12. CaCl2-Accelerated Hydration of Tricalcium Silicate: A STXM Study Combined with 29Si MAS NMR

    Qinfei Li; Yong Ge; Guoqing Geng; Sungchul Bae; Monteiro, Paulo J. M.

    2015-01-01

    The effect of calcium chloride (CaCl2) on tricalcium silicate (C3S) hydration was investigated by scanning transmission X-ray microscopy (STXM) with Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra and 29Si MAS NMR. STXM is demonstrated to be a powerful tool for studying the chemical composition of a cement-based hydration system. The Ca L3,2-edge NEXAFS spectra obtained by examining C3S hydration in the presence of CaCl2 showed that this accelerator does not change the coordination...

  13. 27Al Magic Angle Spinning–Nuclear Magnetic Resonance (MAS-NMR) Analyses Applied to Historical Mortars

    Hanzlíček, Tomáš; Perná, Ivana; Brus, Jiří

    2013-01-01

    Roč. 7, č. 2 (2013), s. 153-164. ISSN 1558-3058 R&D Projects: GA AV ČR IAA300460702 Institutional research plan: CEZ:AV0Z30460519; CEZ:AV0Z40500505 Keywords : mortars * magic angle spinning –nuclear magnetic resonance (MAS-NMR) in solid state * alumina-silicates Subject RIV: DM - Solid Waste and Recycling Impact factor: 0.714, year: 2013 http://www.tandfonline.com/doi/abs/10.1080/15583058.2011.624253

  14. 2D 23Na-23Na DQ/MAS NMR spectroscopy: interface induced clustering and immobilization of sodium ions in nanostructured aluminosilicates

    Kobera, Libor; Urbanová, Martina; Brus, Jiří

    International Society of Magnetic Resonance, 2015. P 112. [Alpine Conference on Solid-State NMR /9./. 13.09.2015-17.09.2015, Chamonix Mont-Blanc] R&D Projects: GA ČR(CZ) GA13-24155S Institutional support: RVO:61389013 Keywords : MAS NMR * geopolymers * zeolites Subject RIV: JN - Civil Engineering

  15. Microscopic structural analysis of fractured silk fibers from Bombyx mori and Samia cynthia ricini using 13C CP/MAS NMR with a 1 mm microcoil MAS NMR probehead

    Yamauchi, Kazuo

    2010-07-01

    Conformational changes have been studied in silk fibers from the domestic silkworm Bombyx mori and a wild silkworm Samia cynthia ricini as a result of fractured by stretching. About 300 samples consisting of only the fractured regions of [1-13C]Ala or [1-13C]Gly labeled silk fibers were collected and observed by 13C CP/MAS NMR spectra. The total amount of these fractured fibers is only about 1 mg and therefore we used a home-built 1 mm microcoil MAS NMR probehead. A very small increase in the fraction of random coil was noted for the alanine regions of both silk fibroins and for the glycine region of B. mori silk fibroin. However, there is no difference in the spectra before and after fractured for the glycine region of S. c. ricini silk fibroin. Thus, the influence of fracture occurs exclusively at the Ala region for S. c. ricini. The relationship between sequence, fracture and structure is discussed. © 2010 Elsevier Inc. All rights reserved.

  16. Residual methyl protonation in perdeuterated proteins for multi-dimensional correlation experiments in MAS solid-state NMR spectroscopy

    Agarwal, Vipin; Reif, Bernd

    2008-09-01

    NMR studies involving perdeuterated proteins focus in general on exchangeable amide protons. However, non-exchangeable sites contain as well a small amount of protons as the employed precursors for protein biosynthesis are not completely proton depleted. The degree of methyl group protonation is in the order of 9% for CD 2H using >97% deuterium enriched glucose. We show in this manuscript that this small amount of residual protonation is sufficient to perform 2D and 3D MAS solid-state NMR experiments. In particular, we suggest a HCCH-TOBSY type experiment which we successfully employ to assign the methyl resonances in aliphatic side chains in a perdeuterated sample of the SH3 domain of chicken α-spectrin.

  17. Sealed rotors for in situ high temperature high pressure MAS NMR.

    Hu, Jian Zhi; Hu, Mary Y; Zhao, Zhenchao; Xu, Suochang; Vjunov, Aleksei; Shi, Hui; Camaioni, Donald M; Peden, Charles H F; Lercher, Johannes A

    2015-09-11

    Here we present the design of reusable and perfectly sealed all-zirconia MAS rotors. The rotors are used to study AlPO4-5 molecular sieve crystallization under hydrothermal conditions, high temperature high pressure cyclohexanol dehydration reaction, and low temperature metabolomics of intact biological tissue. PMID:26171928

  18. Site-resolved (2)H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra.

    Lindh, E L; Stilbs, P; Furó, I

    2016-07-01

    We investigate a way one can achieve good spectral resolution in (2)H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the (2)H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two (2)H spin populations with similar chemical shifts but different quadrupole splittings. In (2)H-exchanged cellulose containing two (2)H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics. PMID:27152833

  19. Structural characteristics of marine sedimentary humic acids by CP/MAS sup(13)C NMR spectroscopy

    Sardessai, S.; Wahidullah, S.

    Humic acids from sediments of different depositional environments have been studied by solid-state sup(13)C NMR and the results compared with the traditional wet chemical analysis. Results obtained are well in agreement with the previous literature...

  20. Deformation Effects in 6Li

    The asymptotic D - to S -state ratio η for the 6Li> bound-state overlap is determined from measurements of the tensor analyzing powers for (6Li,d ) reactions on medium-heavy targets. The reactions are described by the distorted-wave Born approximation assuming a direct α -particle transfer reaction mechanism. The calculations provide good agreement with cross section and vector analyzing power data. A best fit to the tensor analyzing power data results in a new value of η=+0.0003±0.0009 , much smaller than previous experimental and theoretical determinations. copyright 1998 The American Physical Society

  1. Polydisperse methyl β-cyclodextrin–epichlorohydrin polymers: variable contact time 13C CP-MAS solid-state NMR characterization

    Isabelle Mallard

    2015-12-01

    Full Text Available The polymerization of partially methylated β-cyclodextrin (CRYSMEB with epichlorohydrin was carried out in the presence of a known amount of toluene as imprinting agent. Three different preparations (D1, D2 and D3 of imprinted polymers were obtained and characterized by solid-state 13C NMR spectroscopy under cross-polarization magic angle spinning (CP-MAS conditions. The polymers were prepared by using the same synthetic conditions but with different molar ratios of imprinting agent/monomer, leading to morphologically equivalent materials but with different absorption properties. The main purpose of the work was to find a suitable spectroscopic descriptor accounting for the different imprinting process in three homogeneous polymeric networks. The polymers were characterized by studying the kinetics of the cross-polarization process. This approach is based on variable contact time CP-MAS spectra, referred to as VCP-MAS. The analysis of the VCP-MAS spectra provided two relaxation parameters: TCH (the CP time constant and T1ρ (the proton spin-lattice relaxation time in the rotating frame. The results and the analysis presented in the paper pointed out that TCH is sensitive to the imprinting process, showing variations related to the toluene/cyclodextrin molar ratio used for the preparation of the materials. Conversely, the observed values of T1ρ did not show dramatic variations with the imprinting protocol, but rather confirmed that the three polymers are morphologically similar. Thus the combined use of TCH and T1ρ can be helpful for the characterization and fine tuning of imprinted polymeric matrices.

  2. Polydisperse methyl β-cyclodextrin-epichlorohydrin polymers: variable contact time (13)C CP-MAS solid-state NMR characterization.

    Mallard, Isabelle; Baudelet, Davy; Castiglione, Franca; Ferro, Monica; Panzeri, Walter; Ragg, Enzio; Mele, Andrea

    2015-01-01

    The polymerization of partially methylated β-cyclodextrin (CRYSMEB) with epichlorohydrin was carried out in the presence of a known amount of toluene as imprinting agent. Three different preparations (D1, D2 and D3) of imprinted polymers were obtained and characterized by solid-state (13)C NMR spectroscopy under cross-polarization magic angle spinning (CP-MAS) conditions. The polymers were prepared by using the same synthetic conditions but with different molar ratios of imprinting agent/monomer, leading to morphologically equivalent materials but with different absorption properties. The main purpose of the work was to find a suitable spectroscopic descriptor accounting for the different imprinting process in three homogeneous polymeric networks. The polymers were characterized by studying the kinetics of the cross-polarization process. This approach is based on variable contact time CP-MAS spectra, referred to as VCP-MAS. The analysis of the VCP-MAS spectra provided two relaxation parameters: T CH (the CP time constant) and T 1ρ (the proton spin-lattice relaxation time in the rotating frame). The results and the analysis presented in the paper pointed out that T CH is sensitive to the imprinting process, showing variations related to the toluene/cyclodextrin molar ratio used for the preparation of the materials. Conversely, the observed values of T 1ρ did not show dramatic variations with the imprinting protocol, but rather confirmed that the three polymers are morphologically similar. Thus the combined use of T CH and T 1ρ can be helpful for the characterization and fine tuning of imprinted polymeric matrices. PMID:26877800

  3. Polydisperse methyl β-cyclodextrin–epichlorohydrin polymers: variable contact time 13C CP-MAS solid-state NMR characterization

    Mallard, Isabelle; Baudelet, Davy; Castiglione, Franca; Ferro, Monica; Panzeri, Walter; Ragg, Enzio

    2015-01-01

    Summary The polymerization of partially methylated β-cyclodextrin (CRYSMEB) with epichlorohydrin was carried out in the presence of a known amount of toluene as imprinting agent. Three different preparations (D1, D2 and D3) of imprinted polymers were obtained and characterized by solid-state 13C NMR spectroscopy under cross-polarization magic angle spinning (CP-MAS) conditions. The polymers were prepared by using the same synthetic conditions but with different molar ratios of imprinting agent/monomer, leading to morphologically equivalent materials but with different absorption properties. The main purpose of the work was to find a suitable spectroscopic descriptor accounting for the different imprinting process in three homogeneous polymeric networks. The polymers were characterized by studying the kinetics of the cross-polarization process. This approach is based on variable contact time CP-MAS spectra, referred to as VCP-MAS. The analysis of the VCP-MAS spectra provided two relaxation parameters: T CH (the CP time constant) and T 1ρ (the proton spin-lattice relaxation time in the rotating frame). The results and the analysis presented in the paper pointed out that T CH is sensitive to the imprinting process, showing variations related to the toluene/cyclodextrin molar ratio used for the preparation of the materials. Conversely, the observed values of T 1ρ did not show dramatic variations with the imprinting protocol, but rather confirmed that the three polymers are morphologically similar. Thus the combined use of T CH and T 1ρ can be helpful for the characterization and fine tuning of imprinted polymeric matrices. PMID:26877800

  4. Combined high-field 13C CP MAS NMR and low-field NMR relaxation measurements on post mortem porcine muscles.

    Bertram, Hanne Christine; Jakobsen, Hans Jørgen; Andersen, Henrik Jørgen

    2004-05-19

    Changes in postmortem muscle characteristics are investigated in muscles from eight pigs exposed to different combinations of preslaughter stress (exercise on treadmill) and stunning method (CO(2) vs electrical stunning). Solid-state (13)C cross-polarization (CP) magic-angle spinning (MAS) NMR experiments are carried out on a total of 16 rapidly frozen M. longissimus muscle biopsies taken in vivo the day before slaughter and at 45 min postmortem. Simultaneously, low-field NMR T(2) relaxation time measurements are carried out on samples from M. longissimus. Glycogen and lactate are estimated from the (13)C CP MAS spectra, and correlations of r = 0.89 and r = 0.70, respectively, to subsequent biochemical determinations using partial least squares regression (PLSR) are established. Moreover, PLSR reveals that, besides the 72 ppm signal (carbons in glycogen), a signal around 38 ppm, which increases concomitantly with lactate, is also significantly correlated to changes in glycogen/lactate. With the assumption that the 38 ppm signal reflects CH(2) in phosphocreatine/creatine, altered mobility of creatine as a result of dephosphorylation is indicated. Finally, PLSR on the 45 min (13)C CP MAS spectra also reveals correlation (r = 0.54) to the slowest relaxing T(2) population (50 min postmortem), known to reflect extra-myofibrillar water. Subsequently, evaluation of the loading plot in the PLSR analysis reveals that the correlation exclusively is associated to the 52 ppm resonance intensity. With the assumption that this resonance reflects methyl groups in choline/phosphatidyl choline, the intensity changes in the 52 ppm resonance imply alterations in membrane properties. Accordingly, the data indicate a relationship between membrane properties and the amount of water being expelled from muscle cells postmortem, which supports the hypothesis that disruption of membranes is implicated in the postmortem mobilization of muscle water. PMID:15137869

  5. Application of (119)Sn CPMG MAS NMR for Fast Characterization of Sn Sites in Zeolites with Natural (119)Sn Isotope Abundance.

    Kolyagin, Yury G; Yakimov, Alexander V; Tolborg, Søren; Vennestrøm, Peter N R; Ivanova, Irina I

    2016-04-01

    (119)Sn CPMG MAS NMR is demonstrated to be a fast and efficient method for characterization of Sn-sites in Sn-containing zeolites. Tuning of the CPMG echo-train sequence decreases the experimental time by a factor of 5-40 in the case of as-synthesized and hydrated Sn-BEA samples and by 3 orders of magnitude in the case of dehydrated Sn-BEA samples as compared to conventional methods. In the latter case, the reconstruction of the quantitative spectrum without the loss of sensitivity is shown to be possible. The method proposed allows obtaining (119)Sn MAS NMR spectra with improved resolution for Sn-BEA zeolites with natural (119)Sn isotope abundance using conventional MAS NMR equipment. PMID:26978430

  6. Investigation on Acute Biochemical Effects of Ce(NO3)3 on Liver and Kidney Tissues by MAS 1H NMR Spectroscopic-Based Metabonomic Approach

    2006-01-01

    High resolution magic angle spinning (MAS)-1 H nuclear magnetic resonance (NMR) spectroscopic-based metabonomic approach was applied to the investigation on the acute biochemical effects of Ce(NO3)3. Male Wistar rats were liver and kidney tissues were analyzed using principal component analysis to extract toxicity information. The biochemical effects of Ce(NO3)3 were characterized by the increase of triglycerides and lactate and the decrease of glycogen in rat liver tissue, together with an elevation of the triglyceride level and a depletion of glycerophosphocholine and betaine in kidney tissues. The target lesions of Ce(NO3)3 on liver and kidney were found by MAS NMR-based metabonomic method. This study demonstrates that the combination of MAS 1H NMR and pattern recognition analysis can be an effective method for studies of biochemical effects of rare earths.

  7. SCAM-STMAS: satellite-transition MAS NMR of quadrupolar nuclei with self-compensation for magic-angle misset

    Ashbrook, Sharon E.; Wimperis, Stephen

    2003-06-01

    Several methods are available for the acquisition of high-resolution solid-state NMR spectra of quadrupolar nuclei with half-integer spin quantum number. Satellite-transition MAS (STMAS) offers an approach that employs only conventional MAS hardware and can yield substantial signal enhancements over the widely used multiple-quantum MAS (MQMAS) experiment. However, the presence of the first-order quadrupolar interaction in the satellite transitions imposes the requirement of a high degree of accuracy in the setting of the magic angle on the NMR probehead. The first-order quadrupolar interaction is only fully removed if the sample spinning angle, χ, equals cos-1(1/ 3) exactly and rotor synchronization is performed. The required level of accuracy is difficult to achieve experimentally, particularly when the quadrupolar interaction is large. If the magic angle is not set correctly, the first-order splitting is reintroduced and the spectral resolution is severely compromised. Recently, we have demonstrated a novel STMAS method (SCAM-STMAS) that is self-compensated for angle missets of up to ±1° via coherence transfer between the two different satellite transitions ST +( mI=+3/2↔+1/2) and ST -( mI=-1/2↔-3/2) midway through the t1 period. In this work we describe in more detail the implementation of SCAM-STMAS and demonstrate its wider utility through 23Na ( I=3/2), 87Rb ( I=3/2), 27Al ( I=5/2), and 59Co ( I=7/2) NMR. We discuss linewidths in SCAM-STMAS and the limits over which angle-misset compensation is achieved and we demonstrate that SCAM-STMAS is more tolerant of temporary spinning rate fluctuations than STMAS, resulting in less " t1 noise" in the two-dimensional spectrum. In addition, alternative correlation experiments, for example involving the use of double-quantum coherences, that similarly display self-compensation for angle misset are investigated. The use of SCAM-STMAS is also considered in systems where other high-order interactions, such as third

  8. Hydration kinetics for the alite, belite, and calcium aluminate phase in Portland cements from 27Al and 29Si MAS NMR spectroscopy

    Skibsted, Jørgen; Jensen, Ole Mejlhede; Jakobsen, Hans Jørgen

    1997-01-01

    29Si magic-angle spinning (MAS) NMR spectroscopy is shown to be a valuable tool for obtaining the quantities of alite and belite in hydrated Portland cements. The hydration (1-180 days) of a white Portland cement with 10 wt.% silica fume added is investigated and the degrees of hydration for alit...... belite, and silica fume are determined. It is demonstrated that 27Al MAS NMR spectra of hydrated Portland cements can give quantitative information about the formation of ettringite and the conversion of this phase to monosulphate during hydration....

  9. Determination of nuclear distances and chemical-shift anisotropy from 1H MAS NMR sideband patterns of surface OH groups

    Fenzke, Dieter; Hunger, Michael; Pfeifer, Harry

    A procedure is described which allows a separate determination of the proton-aluminum distance and of the chemical-shift anisotropy for the bridging OH groups of crystalline molecular sieves from their 'H MAS NMR sideband patterns. For the bridging OH groups which point into the 6-rings of the framework (line "c"), the 1H- 27Al distance could be determined to be 0.237 ± 0.004 and 0.234 ± 0.004 nm for molecular sieves of type H-Y and SAPO-5, respectively. In contrast, for the bridging OH groups of the 12-rings (line "b"), the corresponding distances are equal and distinctly larger, 0.248 ± 0.004 nm. Within the limits of error, the values of the chemical-shift anisotropy are equal (about 19 ± 2 ppm) except for line b of SAPO-5, which exhibits a much smaller value of 14.5 ± 2 ppm.

  10. 13C MAS NMR studies of the effects of hydration on the cell walls of potatoes and Chinese water chestnuts.

    Tang, H; Belton, P S; Ng, A; Ryden, P

    1999-02-01

    13C NMR with magic angle spinning (MAS) has been employed to investigate the cell walls of potatoes and Chinese water chestnuts over a range of hydration levels. Both single-pulse excitation (SPEMAS) and cross-polarization (CPMAS) experiments were carried out. Hydration led to a substantial increase in signal intensities of galactan and galacturonan in the SPEMAS spectra and a decrease in line width, implying mobilization in the backbone and side chains of pectin. In CPMAS spectra of both samples, noncellulose components showed signal loss as hydration increased. However, the signals of some galacturonan in the 3(1) helix configuration remained in the spectra even when the water content was as high as 110%. Cellulose was unaffected. It is concluded that the pectic polysaccharides experience a distribution of molecular conformations and mobility, whereas cellulose remained as typical rigid solid. PMID:10563925

  11. Assignment of amide proton signals by combined evaluation of HN, NN and HNCA MAS-NMR correlation spectra

    Rossum, Barth-Jan van; Castellani, Federica [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany); Pauli, Jutta [BAM (Germany); Rehbein, Kristina [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany); Hollander, J.; Groot, Huub J.M. de [BAM (Germany); Oschkinat, Hartmut [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany)], E-mail: Oschkinat@fmp-berlin.de

    2003-03-15

    In this paper, we present a strategy for the {sup 1}H{sup N} resonance assignment in solid-state magic-angle spinning (MAS) NMR, using the {alpha}-spectrin SH3 domain as an example. A novel 3D triple resonance experiment is presented that yields intraresidue H{sup N}-N-C{sup {alpha}} correlations, which was essential for the proton assignment. For the observable residues, 52 out of the 54 amide proton resonances were assigned from 2D ({sup 1}H-{sup 15}N) and 3D ({sup 1}H-{sup 15}N-{sup 13}C) heteronuclear correlation spectra. It is demonstrated that proton-driven spin diffusion (PDSD) experiments recorded with long mixing times (4 s) are helpful for confirming the assignment of the protein backbone {sup 15}N resonances and as an aid in the amide proton assignment.

  12. Sensitivity Gains, Linearity, and Spectral Reproducibility in Nonuniformly Sampled Multidimensional MAS NMR Spectra of High Dynamic Range.

    Suiter, Christopher L.; Paramasivam, Sivakumar; Hou, Guangjin; Sun, Shangjin; Rice, David M.; Hoch, Jeffrey C.; Rovnyak, David S.; Polenova, Tatyana E.

    2014-04-22

    Recently, we have demonstrated that considerable inherent sensitivity gains are attained in MAS NMR spectra acquired by nonuniform sampling (NUS) and introduced maximum entropy interpolation (MINT) processing that assures the linearity of transformation between the time and frequency domains. In this report, we examine the utility of the NUS/MINT approach in multidimensional datasets possessing high dynamic range, such as homonuclear 13C–13C correlation spectra. We demonstrate on model compounds and on 1–73-(U-13C,15N)/74–108-(U-15N) E. coli thioredoxin reassembly, that with appropriately constructed 50 % NUS schedules inherent sensitivity gains of 1.7–2.1-fold are readily reached in such datasets. We show that both linearity and line width are retained under these experimental conditions throughout the entire dynamic range of the signals. Furthermore, we demonstrate that the reproducibility of the peak intensities is excellent in the NUS/MINT approach when experiments are repeated multiple times and identical experimental and processing conditions are employed. Finally, we discuss the principles for design and implementation of random exponentially biased NUS sampling schedules for homonuclear 13C–13C MAS correlation experiments that yield high quality artifact-free datasets.

  13. Surface Characterization of Some Novel Bonded Phase Packing Materials for HPLC Columns Using MAS-NMR Spectroscopy

    Jude Abia

    2015-03-01

    Full Text Available Information on the surface properties of three novel chemically bonded phase packing materials for High performance liquid chromatography (HPLC were obtained using spectra obtained by solid state cross-polarization (CP magic-angle spinning (MAS nuclear magnetic resonance (NMR spectroscopic experiments for the 29Si, and 13C nuclei. These packing materials were: Cogent bidentate C18 bonded to type-C silica, hybrid packing materials XTerra MS C18, and XBridge Prep. C18. The spectra obtained using cross-polarization magic angle spinning (CP-MAS on the Cogent bidentate C18 bonded to type-C silica show the surface to be densely populated with hydride groups (Si-H, with a relative surface coverage exceeding 80%. The hybrid packing materials XTerra and XBridge gave spectra that reveal the silicon atoms to be bonded to organic moieties embedded in the molecular structure of these materials with over 90% of the alkyl silicon atoms found within the completely condensed silicon environments. The hydrolytic stability of these materials were investigated in acidic aqueous solutions at pHs of 7.0 and 3.0, and it was found that while the samples of XTerra and XBridge were not affected by hydrolysis at this pH range, the sample of Cogent lost a significant proportion of its Si-H groups after five days of treatment in acidic aqueous solution.

  14. Coal structure at reactive sites by sup 1 H- sup 13 C- sup 19 F double cross polarization (DCP)/MAS sup 13 C NMR spectroscopy

    Hagaman, E.W.; Woody, M.C. (Oak Ridge National Lab., TN (USA))

    1989-01-01

    The solid state NMR technique, {sup 1}H-{sup 13}C-{sup 31}P double cross polarization (DCP)/MAS {sup 13}C-NMR spectroscopy, uses the direct dipolar interaction between {sup 13}C-{sup 31}P spin pairs in organophosphorus substances to identify the subset of carbons within a spherical volume element of 0.4 nm radius centered on the {sup 31}P atom. In combination with chemical manipulation of coals designed to introduce phosphorus containing functionality into the organic matrix, the NMR experiment becomes a method to examine selectively the carbon bonding network at the reactive sites in the coal. This approach generates a statistical structure description of the coal at the reaction centers in contrast to bulk carbon characterization using conventional {sup 1}H-{sup 13}C CP/MAS {sup 13}C NMR spectroscopy. 3 refs.

  15. Application of High-Resolution 1H MAS NMR Spectroscopy to the Analysis of Intact Bones from Mice Exposed to Gamma Radiation

    Zhang, QiBin; Hu, Jian Zhi; Rommereim, Donald N.; Murphy, Mark K; Phipps, Richard P.; HUSO, DAVID L.; Dicello, John F

    2009-01-01

    Herein we demonstrate that high-resolution magic angle spinning (MAS) 1H NMR can be used to profile the pathology of bone marrow rapidly and with minimal sample preparation. The spectral resolution obtained allows several metabolites to be analyzed quantitatively. The level of NMR-detectable metabolites in the epiphysis + metaphysis sections of mouse femur were significantly higher than that observed in the diaphysis of the same femur. The major metabolite damage to bone marrow resulting from...

  16. Structural investigations of PuIII phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

    PuPO4 was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as β− decay product of plutonium) in the +III oxidation state was determined based on XANES spectroscopy. High resolution solid state 31P NMR agrees with the XANES results and the presence of a solid-solution. - Graphical abstract: A full structural analysis of PuPO4 based on Rietveld analysis of room temperature X-ray diffraction data, XANES and MAS NMR measurements was performed. - Highlights: • The crystal structure of PuPO4 monazite is solved. • In PuPO4 plutonium is strictly trivalent. • The presence of a minute amount of AmIII is highlighted. • We propose PuPO4 as a potential reference material for spectroscopic and microscopic studies

  17. Proton-detected scalar coupling based assignment strategies in MAS solid-state NMR spectroscopy applied to perdeuterated proteins

    Linser, Rasmus; Fink, Uwe; Reif, Bernd

    2008-07-01

    Assignment of proteins in MAS (magic angle spinning) solid-state NMR relies so far on correlations among heteronuclei. This strategy is based on well dispersed resonances in the 15N dimension. In many complex cases like membrane proteins or amyloid fibrils, an additional frequency dimension is desirable in order to spread the amide resonances. We show here that proton detected HNCO, HNCA, and HNCACB type experiments can successfully be implemented in the solid-state. Coherences are sufficiently long lived to allow pulse schemes of a duration greater than 70 ms before incrementation of the first indirect dimension. The achieved resolution is comparable to the resolution obtained in solution-state NMR experiments. We demonstrate the experiments using a triply labeled sample of the SH3 domain of chicken α-spectrin, which was re-crystallized in H 2O/D 2O using a ratio of 1/9. We employ paramagnetic relaxation enhancement (PRE) using EDTA chelated Cu II to enable rapid data acquisition.

  18. Structural investigations of Pu{sup III} phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

    Popa, Karin [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Raison, Philippe E., E-mail: philippe.raison@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Martel, Laura [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Martin, Philippe M. [CEA, DEN, DEC/SESC, F-13108 Saint Paul Lez Durance Cedex (France); Prieur, Damien [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Solari, Pier L. [Synchrotron SOLEIL, 91190 Saint-Aubin (France); Bouëxière, Daniel; Konings, Rudy J.M.; Somers, Joseph [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany)

    2015-10-15

    PuPO{sub 4} was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as β{sup −} decay product of plutonium) in the +III oxidation state was determined based on XANES spectroscopy. High resolution solid state {sup 31}P NMR agrees with the XANES results and the presence of a solid-solution. - Graphical abstract: A full structural analysis of PuPO{sub 4} based on Rietveld analysis of room temperature X-ray diffraction data, XANES and MAS NMR measurements was performed. - Highlights: • The crystal structure of PuPO{sub 4} monazite is solved. • In PuPO{sub 4} plutonium is strictly trivalent. • The presence of a minute amount of Am{sup III} is highlighted. • We propose PuPO{sub 4} as a potential reference material for spectroscopic and microscopic studies.

  19. Quality of spelt pasta enriched with eggs and identification of eggs using 13C MAS NMR spectroscopy

    Filipović Jelena S.

    2015-01-01

    Full Text Available This paper deals with the characteristics of spelt pasta enriched with eggs. Eggs were added to spelt farina in the quantity of 0, 124 or 248 g/kg (equivalent to 0, 3 or 6 eggs, respectively. Post-hoc Tukey’s HSD test at 95% confidence limit showed significant differences between various samples. Relatively low coefficients of variation have been obtained for each applied assay (1.25-12.42%, which confirmed the high accuracy measurements and statistically significant results. Standard score analysis is applied for accessing the contribution of eggs content to spelt pasta quality. Maximum scores regarding quality (0.89 and chemical characteristics (0.70, have been obtained for 6 eggs spelt pasta formulation. It is also shown that the presence of eggs in pasta can be clearly confirmed by 13C MAS NMR spectroscopy. Simultaneous increase in area of peak positioned at 29.5 and 176 ppm is directly associated with the increase in the content of added eggs in the corresponding samples. Pertinent data point at positive contribution of eggs to the spelt pasta and also that NMR spectrum can be used in the egg quantity control. [Projekat Ministarstva nauke Republike Srbije, br. TRI 46005 i br. TR 31029

  20. Application of 119Sn CPMG MAS NMR for Fast Characterization of Sn Sites in Zeolites with Natural 119Sn Isotope Abundance

    G. Kolyagin, Yury; V. Yakimo, Alexander; Tolborg, Søren;

    2016-01-01

    119Sn CPMG MAS NMR is demonstrated to be a fast and efficient method for characterization of Sn-sites in Sn-containing zeolites. Tuning of the CPMG echo-train sequence decreases the experimental time by a factor of 5–40 in the case of as-synthesized and hydrated Sn-BEA samples and by 3 orders of...

  1. Local environments and lithium adsorption on the iron oxyhydroxides lepidocrocite (gamma-FeOOH) and goethite (alpha-FeOOH): A 2H-2 and 7Li solid-state MAS NMR study

    Nielsen, Ulla Gro; Grey, Clare P.; Paik, Jonkim

    2008-01-01

    2H and 7LiMAS NMR spectroscopy techniques were applied to study the local surface and bulk environments of iron oxyhydroxide lepiclocrocite (gamma-FeOOH). 2H variable-temperature (VT) MAS NMR experiments were performed, showing the presence of short-range, strong antiferromagnetic correlations, e...

  2. Dynamic effects in MAS and MQMAS NMR spectra of half-integer quadrupolar nuclei: calculations and an application to the double perovskite cryolite.

    Kotecha, Mrignayani; Chaudhuri, Santanu; Grey, Clare P; Frydman, Lucio

    2005-11-30

    Dynamic processes such as chemical exchange or rotations between inequivalent orientations can affect the magic-angle spinning (MAS) and the multiple-quantum (MQ) MAS NMR spectra of half-integer quadrupolar nuclei. The present paper discusses such dynamic multisite MAS and MQMAS effects and applies them to study the dynamic processes that occur in the double perovskite cryolite, Na3AlF6. Dynamic line shape simulations invoking a second-order broadening of the central transition and relying on the semiclassical Bloch-McConnell formalism for chemical exchange were performed for a variety of exchange models possessing different symmetries. Fitting experimental variable-temperature cryolite 23Na NMR data with this formalism revealed that the two inequivalent sodium sites in this mineral undergo an exchange characterized by a broad distribution of rates. To further assess this dynamic process a variety of 27Al and 19F MAS NMR studies were also undertaken; quantitative 27Al-19F dipolar coupling measurements then revealed a dynamic motion of the AlF6 octahedra that were qualitatively consistent with predictions stemming from molecular dynamic simulations on this double perovskite. PMID:16305261

  3. CP-MAS 207Pb with 19F decoupling NMR spectroscopy: medium range investigation in fluoride materials.

    Bureau, B; Silly, G; Buzaré, J Y

    1999-11-01

    The isotropic chemical shift of 207Pb is used to perform structural investigations of crystalline fluoride compounds (PbF2, Pb2ZnF6, PbGaF5, Pb3Ga2F12 and Pb9Ga2F24) and transition metal fluoride glasses (TMFG) of the PZG family (PbF2-ZnF2-GaF3). Using 207Pb Cross Polarisation Magic Angle Spinning (CP-MAS) NMR with 19F decoupling, it is shown that the isotropic chemical shift of 207Pb varies on a large scale (1000 ppm) and that the main changes of its value are not due to the nearest neighbour fluorines but may be related to the number of next nearest neighbour (nnn) Pb2+ ions. In this way, it is demonstrated that 207Pb chemical shift is an interesting probe to investigate medium range order in either crystalline or glassy fluoride systems. The 207Pb delta(iso) parameter has been linearly correlated to the number of nnn Pb2+ ions. PMID:10670899

  4. N Photo-CIDNP MAS NMR To Reveal Functional Heterogeneity in Electron Donor of Different Plant Organisms.

    Janssen, Geertje J; Roy, Esha; Matysik, Jörg; Alia, A

    2012-02-01

    In plants and cyanobacteria, two light-driven electron pumps, photosystems I and II (PSI, PSII), facilitate electron transfer from water to carbon dioxide with quantum efficiency close to unity. While similar in structure and function, the reaction centers of PSI and PSII operate at widely different potentials with PSI being the strongest reducing agent known in living nature. Photochemically induced dynamic nuclear polarization (photo-CIDNP) in magic-angle spinning (MAS) nuclear magnetic resonance (NMR) measurements provides direct excess to the heart of large photosynthetic complexes (A. Diller, Alia, E. Roy, P. Gast, H.J. van Gorkom, J. Zaanen, H.J.M. de Groot, C. Glaubitz, J. Matysik, Photosynth. Res. 84, 303-308, 2005; Alia, E. Roy, P. Gast, H.J. van Gorkom, H.J.M. de Groot, G. Jeschke, J. Matysik, J. Am. Chem. Soc. 126, 12819-12826, 2004). By combining the dramatic signal increase obtained from the solid-state photo-CIDNP effect with (15)N isotope labeling of PSI, we were able to map the electron spin density in the active cofactors of PSI and study primary charge separation at atomic level. We compare data obtained from two different PSI proteins, one from spinach (Spinacia oleracea) and other from the aquatic plant duckweed (Spirodella oligorrhiza). Results demonstrate a large flexibility of the PSI in terms of its electronic architecture while their electronic ground states are strictly conserved. PMID:22303078

  5. Determination of structural topology of a membrane protein in lipid bilayers using polarization optimized experiments (POE) for static and MAS solid state NMR spectroscopy

    Mote, Kaustubh R. [University of Minnesota, Department of Chemistry (United States); Gopinath, T. [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States); Veglia, Gianluigi, E-mail: vegli001@umn.edu [University of Minnesota, Department of Chemistry (United States)

    2013-10-15

    The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD {approx}0.44 A, a tilt angle of 24 Degree-Sign {+-} 1 Degree-Sign , and an azimuthal angle of 55 Degree-Sign {+-} 6 Degree-Sign . This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR.

  6. Determination of structural topology of a membrane protein in lipid bilayers using polarization optimized experiments (POE) for static and MAS solid state NMR spectroscopy

    The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD ∼0.44 Å, a tilt angle of 24° ± 1°, and an azimuthal angle of 55° ± 6°. This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR

  7. Identification of Li-Ion Battery SEI Compounds through (7)Li and (13)C Solid-State MAS NMR Spectroscopy and MALDI-TOF Mass Spectrometry.

    Huff, Laura A; Tavassol, Hadi; Esbenshade, Jennifer L; Xing, Wenting; Chiang, Yet-Ming; Gewirth, Andrew A

    2016-01-13

    Solid-state (7)Li and (13)C MAS NMR spectra of cycled graphitic Li-ion anodes demonstrate SEI compound formation upon lithiation that is followed by changes in the SEI upon delithiation. Solid-state (13)C DPMAS NMR shows changes in peaks associated with organic solvent compounds (ethylene carbonate and dimethyl carbonate, EC/DMC) upon electrochemical cycling due to the formation of and subsequent changes in the SEI compounds. Solid-state (13)C NMR spin-lattice (T1) relaxation time measurements of lithiated Li-ion anodes and reference poly(ethylene oxide) (PEO) powders, along with MALDI-TOF mass spectrometry results, indicate that large-molecular-weight polymers are formed in the SEI layers of the discharged anodes. MALDI-TOF MS and NMR spectroscopy results additionally indicate that delithiated anodes exhibit a larger number of SEI products than is found in lithiated anodes. PMID:26653886

  8. 13C chemical shift anisotropies for carbonate ions in cement minerals and the use of 13C, 27Al and 29Si MAS NMR in studies of Portland cement including limestone additions

    13C isotropic chemical shifts and chemical shift anisotropy parameters have been determined for a number of inorganic carbonates relevant in cement chemistry from slow-speed 13C MAS or 13C(1H) CP/MAS NMR spectra (9.4 T or 14.1 T) for 13C in natural abundance. The variation in the 13C chemical shift parameters is relatively small, raising some doubts that different carbonate species in Portland cement-based materials may not be sufficiently resolved in 13C MAS NMR spectra. However, it is shown that by combining 13C MAS and 13C(1H) CP/MAS NMR carbonate anions in anhydrous and hydrated phases can be distinguished, thereby providing valuable information about the reactivity of limestone in cement blends. This is illustrated for three cement pastes prepared from an ordinary Portland cement, including 0, 16, and 25 wt.% limestone, and following the hydration for up to one year. For these blends 29Si MAS NMR reveals that the limestone filler accelerates the hydration for alite and also results in a smaller fraction of tetrahedrally coordinated Al incorporated in the C-S-H phase. The latter result is more clearly observed in 27Al MAS NMR spectra of the cement–limestone blends and suggests that dissolved aluminate species in the cement–limestone blends readily react with carbonate ions from the limestone filler, forming calcium monocarboaluminate hydrate. -- Highlights: •13C chemical shift anisotropies for inorganic carbonates from 13C MAS NMR. •Narrow 13C NMR chemical shift range (163–171 ppm) for inorganic carbonates. •Anhydrous and hydrated carbonate species by 13C MAS and 13C(1H) CP/MAS NMR. •Limestone accelerates the hydration for alite in Portland – limestone cements. •Limestone reduces the amount of aluminium incorporated in the C-S-H phase

  9. Nanoscopic yttrium oxide fluorides: non-aqueous fluorolytic sol-gel synthesis and structural insights by 19F and 89Y MAS NMR.

    Scholz, G; Dreger, M; Bertram, R; Kemnitz, E

    2015-08-14

    Nanoscopic yttrium acetate fluorides Y(CH(3)COO)(3-z)F(z) and yttrium oxide fluorides YO(3-z)/(2)F(z )were prepared with tunable Y/F molar ratios via the fluorolytic sol-gel route. All samples were characterized by X-ray diffraction, elemental analysis and thermal analysis. In addition, local structures of all samples were studied by (19)F MAS, (19)F-(89)Y CP MAS and (1)H-(89)Y CP MAS NMR spectroscopy and the respective chemical shifts are given. For both classes of compounds, only the fluorination using one equivalent of F (z = 1) leads to defined, well crystalline matrices: yttrium acetate fluoride Y(CH(3)COO)(2)F and r-YOF. PMID:26133504

  10. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Arévalo-Hidalgo, Ana G.; Dugar, Sneha; Fu, Riqiang; Hernández-Maldonado, Arturo J.

    2012-07-01

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO2 adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium.

  11. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO2 adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO2 adsorption performance. Highlights: ► Location of extraframework Sr2+ or Ba2+ cations was estimated by means of 1H and 23Na MAS NMR. ► Level of Sr2+ or Ba2+ ion exchange was limited by the presence of protons and sodium cations. ► Presence of ammonium cations in the supercages facilitated the exchange. ► Sr2+ and Ba2+ ion exchanged SAPOs are outstanding CO2 adsorbents.

  12. Hydrogen-bond interactions in organically-modified polysiloxane networks studied by 1D and 2D CRAMPS and double-quantum 1H MAS NMR

    Brus, Jiří; Dybal, Jiří

    2002-01-01

    Roč. 35, č. 27 (2002), s. 10038-10047. ISSN 0024-9297 R&D Projects: GA ČR GA203/98/P290; GA AV ČR KSK4050111 Institutional research plan: CEZ:AV0Z4050913 Keywords : Hydrogen bonding * polysiloxane * 1H MAS NMR Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.751, year: 2002

  13. Ease of delignification assesment of wood from different Eucalyptus species by pyrolysis (TMAH)-GC/MS and CP/MAS 13C-NMR spectrometry

    González-Vila, Francisco Javier; Almendros Martín, Gonzalo; Río Andrade, José Carlos del; Martín Martínez, Francisco; Gutiérrez Suárez, Ana; Romero Sánchez, Juan

    1999-01-01

    Flash-pyrolysis in the presence of tetramethylammonium hydroxide (TMAH) of woods from different species of Eucalyptus yields series of guaiacyl-type (G) and syringyl-type (S) units in slightly but characteristically different relative proportions. Such differences have been used to suggest a fine and appropriate index of the ease of delignification of the different Eucalyptus species when pulped by the Kraft process. The pyrolytic data were in agreement with those obtained from CP/MAS 13C-NMR...

  14. Optimum levels of exchangeable protons in perdeuterated proteins for proton detection in MAS solid-state NMR spectroscopy

    Akbey, Umit; Lange, Sascha; Trent Franks, W.; Linser, Rasmus; Rehbein, Kristina; Diehl, Anne; Rossum, Barth-Jan van; Reif, Bernd; Oschkinat, Hartmut, E-mail: oschkinat@fmp-berlin.d [Leibniz-Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany)

    2010-01-15

    We present a systematic study of the effect of the level of exchangeable protons on the observed amide proton linewidth obtained in perdeuterated proteins. Decreasing the amount of D{sub 2}O employed in the crystallization buffer from 90 to 0%, we observe a fourfold increase in linewidth for both {sup 1}H and {sup 15}N resonances. At the same time, we find a gradual increase in the signal-to-noise ratio (SNR) for {sup 1}H-{sup 15}N correlations in dipolar coupling based experiments for H{sub 2}O concentrations of up to 40%. Beyond 40%, a significant reduction in SNR is observed. Scalar-coupling based {sup 1}H-{sup 15}N correlation experiments yield a nearly constant SNR for samples prepared with {<=}30% H{sub 2}O. Samples in which more H{sub 2}O is employed for crystallization show a significantly reduced NMR intensity. Calculation of the SNR by taking into account the reduction in {sup 1}H T{sub 1} in samples containing more protons (SNR per unit time), yields a maximum SNR for samples crystallized using 30 and 40% H{sub 2}O for scalar and dipolar coupling based experiments, respectively. A sensitivity gain of 3.8 is obtained by increasing the H{sub 2}O concentration from 10 to 40% in the CP based experiment, whereas the linewidth only becomes 1.5 times broader. In general, we find that CP is more favorable compared to INEPT based transfer when the number of possible {sup 1}H,{sup 1}H interactions increases. At low levels of deuteration ({>=}60% H{sub 2}O in the crystallization buffer), resonances from rigid residues are broadened beyond detection. All experiments are carried out at MAS frequency of 24 kHz employing perdeuterated samples of the chicken {alpha}-spectrin SH3 domain.

  15. Chemometric analysis applied in 1H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples

    This paper describes the potentiality of chemometric analysis applied in 1H HR-MAS NMR and FT-IR data for lichen chemotaxonomic investigations. Lichens present a difficult morphologic differentiation and the chemical analyses are frequently employed for their taxonomic classification, mainly due to the secondary metabolites to be relatively constant for these organisms. The lichen chemotaxonomic classification is usually carried out by color reactions, chromatography, fluorescence and mass spectrometry analysis, where the identification is obtained by one or more techniques. There are some papers which use the carbohydrate content in chemotaxonomy investigation. However, the majority of these techniques involve laborious and time consuming sample pre-treatment. This work focuses on application of 1H high resolution magic angle spinning - nuclear magnetic resonance (HR-MAS NMR) and Fourier transform infrared (FT-IR) associated with chemometric analysis to intact samples. In comparison to other traditional techniques, 1H HR-MAS NMR and FT-IR allied with chemometrics provided a fast and economic method for lichen chemotaxonomy. Both methods were useful for lichen analysis and permitted the satisfactory distinction among families, genera and species, although better results were achieved for FT-IR data

  16. Sensitivity enhancement in natural-abundance solid-state 33S MAS NMR spectroscopy employing adiabatic inversion pulses to the satellite transitions

    Hansen, Michael Ryan; Brorson, Michael; Bildsøe, Henrik; Skibsted, Jørgen; Jakobsen, Hans J.

    2008-02-01

    The WURST (wideband uniform rate smooth truncation) and hyperbolic secant (HS) pulse elements have each been employed as pairs of inversion pulses to induce population transfer (PT) between the four energy levels in natural abundance solid-state 33S (spin I = 3/2) MAS NMR, thereby leading to a significant gain in intensity for the central transition (CT). The pair of inversion pulses are applied to the satellite transitions for a series of inorganic sulfates, the sulfate ions in the two cementitious materials ettringite and thaumasite, and the two tetrathiometallates (NH 4) 2WS 4 and (NH 4) 2MoS 4. These materials all exhibit 33S quadrupole coupling constants ( CQ) in the range 0.1-1.0 MHz, with precise CQ values being determined from analysis of the PT enhanced 33S MAS NMR spectra. The enhancement factors for the WURST and HS elements are quite similar and are all in the range 1.74-2.25 for the studied samples, in excellent agreement with earlier reports on HS enhancement factors (1.6-2.4) observed for other spin I = 3/2 nuclei with similar CQ values (0.3-1.2 MHz). Thus, a time saving in instrument time by a factor up to five has been achieved in natural abundance 33S MAS NMR, a time saving which is extremely welcome for this important low-γ nucleus.

  17. Multibody final states of the 6Li+6Li reaction at 97 MeV

    Absolute coincidence cross sections were measured for the reactions 6Li+6Li->3α, 6Li(6Li, 2α), and 6Li(6Li, 2d), where the latter two represent N-body (N >= 4) final states. Broad peaks from the 6Li(6Li, 2α) reaction are well described by a double spectator pole (DSP) model utilizing a Hulthen wave function, whereas near 40 MeV the DSP peaks are much narrower than predicted. A broad peak in the 3α final-state spectrum attributed to a single-spectator pole (SSP) process, is well described with the same wave function. The SSP is the principal mechanism for the 3α reaction, in contrast to data near 40 MeV which show that sequential decay from 8Be levels is dominant. (orig.)

  18. Obtaining aluminas from the thermal decomposition of their different precursors: An {sup 27}Al MAS NMR and X-ray powder diffraction studies

    Chagas, L.H.; De Carvalho, G.S.G. [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil); San Gil, R.A.S. [Universidade Federal do Rio de Janeiro, Instituto de Química, 21949-900 Rio de Janeiro, RJ (Brazil); Chiaro, S.S.X. [PETROBRAS-CENPES, 21941-915 Rio de Janeiro, RJ (Brazil); Leitão, A.A. [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil); Diniz, R., E-mail: renata.diniz@ufjf.edu.br [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil)

    2014-01-01

    Graphical abstract: - Highlights: • We synthesized three precursors of alumina from different methods. • The calcination of the precursors generated several alumina polymorphs. • XRD and NMR were used for structural investigation of the polymorphs. • The synthesis route determines the structural and textural properties of the solids. - Abstract: A commercial sample of Boehmite was used as precursor of alumina polymorphs. For comparison, three other precursors were synthesized from different methods. Particularly, the use of excess of urea promoted a very crystalline form of basic aluminum carbonate. The characteristics of the four precursors were investigated by thermal, vibrational and X-ray powder diffraction (XRD) analysis. Additionally, the nuclear magnetic resonance, with magic angle spinning ({sup 27}Al MAS NMR), was used to verify the coordination of aluminum cations. Each precursor was calcined at various temperatures generating alumina polymorphs, which were structurally analyzed by XRD and {sup 27}Al MAS NMR. Due to interest in catalysis supports, special attention was given to the γ-Al{sub 2}O{sub 3} phase, which in addition to structural investigation was subjected to textural analysis. The results showed that, from different synthesis procedures and common route of calcination, one can obtain materials with the same composition but with different structural and textural properties, which in turn can significantly influence the performance of a supported catalyst.

  19. Structure determination of uniformly 13C, 15N labeled protein using qualitative distance restraints from MAS solid-state 13C-NMR observed paramagnetic relaxation enhancement

    Magic angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) is a powerful method for structure determination of insoluble biomolecules. However, structure determination by MAS solid-state NMR remains challenging because it is difficult to obtain a sufficient amount of distance restraints owing to spectral complexity. Collection of distance restraints from paramagnetic relaxation enhancement (PRE) is a promising approach to alleviate this barrier. However, the precision of distance restraints provided by PRE is limited in solid-state NMR because of incomplete averaged interactions and intermolecular PREs. In this report, the backbone structure of the B1 domain of streptococcal protein G (GB1) has been successfully determined by combining the CS-Rosetta protocol and qualitative PRE restraints. The derived structure has a Cα RMSD of 1.49 Å relative to the X-ray structure. It is noteworthy that our protocol can determine the correct structure from only three cysteine-EDTA-Mn2+ mutants because this number of PRE sites is insufficient when using a conventional structure calculation method based on restrained molecular dynamics and simulated annealing. This study shows that qualitative PRE restraints can be employed effectively for protein structure determination from a limited conformational sampling space using a protein fragment library

  20. Solid state structure by X-ray and 13C CP/MAS NMR of new 5-[2-(N,N-dimethylamino)ethoxy]-4,7-dimethylcoumarins

    Ostrowska, Kinga; Maciejewska, Dorota; Dobrzycki, Łukasz; Socha, Pawel

    2016-05-01

    5-[2-(N,N-dimethylamino)ethoxy]-4,7-dimethylcoumarin (1) and 6-acetyl-5-[2-(N,N-dimethylamino)ethoxy]-4,7-dimethylcoumarin (2), structurally related, were synthesized using both conventional and microwave-assisted approach. An impact of acetyl groups on the molecular structure of coumarin derivatives has been examined. Crystals of 2 were investigated using single crystal and powder X-ray diffraction techniques. Compound 2 crystallizes forming two polymorphs (denoted as 2_1 and 2_2), both belonging to P21/c space group. Both polymorphs are comparably stable and can be formed simultaneously during crystallization process. The solid state structure was also analysed using the fully resolved 13C CP/MAS NMR. The double signals with the intensity ratio of about 1:1 which were observed in the 13C CP/MAS NMR spectrum of compound 1 must arise due to the presence of two conformers of 1. In contrast, NMR spectrum recorded for powder mixture of two polymorphs of compound 2 displays no signal splitting. This is related to structural similarities of molecules in both polymorphs.

  1. Global Fold of Human Cannabinoid Type 2 Receptor Probed by Solid-State 13C-, 15N-MAS NMR and Molecular Dynamics Simulations

    Kimura, Tomohiro; Vukoti, Krishna; Lynch, Diane L.; Hurst, Dow P.; Grossfield, Alan; Pitman, Michael C.; Reggio, Patricia H.; Yeliseev, Alexei A.; Gawrisch, Klaus

    2013-01-01

    The global fold of human cannabinoid type 2 (CB2) receptor in the agonist-bound active state in lipid bilayers was investigated by solid-state 13C- and 15N magic-angle spinning (MAS) NMR, in combination with chemical-shift prediction from a structural model of the receptor obtained by microsecond-long molecular dynamics (MD) simulations. Uniformly 13C-, and 15N-labeled CB2 receptor was expressed in milligram quantities by bacterial fermentation, purified, and functionally reconstituted into l...

  2. The study of a monocotyledon abscission zone using microscopic, chemical, enzymatic and solid state 13C CP/MAS NMR analyses.

    Henderson, J; Davies, H A; Heyes, S J; Osborne, D J

    2001-01-01

    We have investigated distinguishing features in cells of the abscission zone of a monocotyledon fruit, the oil palm Elaeis guineensis. The cell walls of the abscission zone and the subtending mesocarp and pedicel have been analysed by light and transmission electron microscopy, by chemical methods and by solid state 13C CP/MAS NMR spectroscopy. Results show that these abscission zone cells have specific characteristics which include high levels of unmethylated pectin in the walls and an inducible (x35) polygalacturonase enzyme expression. Together these findings help to explain the localised precision of cell separation events. PMID:11219806

  3. Solid state P-31 MAS NMR spectroscopy and conductivity measurements on NbOPO4 and H3PO4 composite materials

    Risskov Sørensen, Daniel; Nielsen, U. G.; Skou, E. M.

    2014-01-01

    .1 and 74.2 M% were produced and characterized with powder X-ray diffraction, P-31 MAS NMR and impedance spectroscopy. NMR revealed that a significant degree of dehydration and vaporization of H3PO4 takes place above 200 degrees C, and increases with temperature. At 500 degrees C the NbOPO4 and H3PO4 has...... reacted to form niobium pyrophosphate (Nb2P4O15). Impedance spectroscopy showed an increase in conductivity with increasing acid concentration, whereas the conductivity decreased slightly with increasing temperature. The highest conductivity measured was 2.5.10(-3) S/cm for a sample containing 74.2 M% of...

  4. 1H-MAS-NMR Chemical Shifts in Hydrogen-Bonded Complexes of Chlorophenols (Pentachlorophenol, 2,4,6-Trichlorophenol, 2,6-Dichlorophenol, 3,5-Dichlorophenol, and p-Chlorophenol) and Amine, and H/D Isotope Effects on 1H-MAS-NMR Spectra

    Hisashi Honda

    2013-01-01

    Chemical shifts (CS) of the 1H nucleus in N···H···O type hydrogen bonds (H-bond) were observed in some complexes between chlorophenols [pentachlorophenol (PCP), 2,4,6-tricholorophenol (TCP), 2,6-dichlorophenol (26DCP), 3,5-dichlorophenol (35DCP), and p-chlorophenol (pCP)] and nitrogen-base (N-Base) by solid-state high-resolution 1H-NMR with the magic-angle-spinning (MAS) method. Employing N-Bases with a wide range of pKa values (0.65–10.75), 1H-MAS-NMR CS values of bridging H atoms in H-bonds...

  5. 1H-MAS-NMR Chemical Shifts in Hydrogen-Bonded Complexes of Chlorophenols (Pentachlorophenol, 2,4,6-Trichlorophenol, 2,6-Dichlorophenol, 3,5-Dichlorophenol, and p-Chlorophenol and Amine, and H/D Isotope Effects on 1H-MAS-NMR Spectra

    Hisashi Honda

    2013-04-01

    Full Text Available Chemical shifts (CS of the 1H nucleus in N···H···O type hydrogen bonds (H-bond were observed in some complexes between chlorophenols [pentachlorophenol (PCP, 2,4,6-tricholorophenol (TCP, 2,6-dichlorophenol (26DCP, 3,5-dichlorophenol (35DCP, and p-chlorophenol (pCP] and nitrogen-base (N-Base by solid-state high-resolution 1H-NMR with the magic-angle-spinning (MAS method. Employing N-Bases with a wide range of pKa values (0.65–10.75, 1H-MAS-NMR CS values of bridging H atoms in H-bonds were obtained as a function of the N-Base’s pKa. The result showed that the CS values were increased with increasing pKa values in a range of DpKa 2: The maximum CS values was recorded in the PCP (pKa = 5.26–4-methylpyridine (6.03, TCP (6.59–imidazole (6.99, 26DCP (7.02–2-amino-4-methylpyridine (7.38, 35DCP (8.04–4-dimethylaminopyridine (9.61, and pCP (9.47–4-dimethylaminopyridine (9.61 complexes. The largest CS value of 18.6 ppm was recorded in TCP–imidazole crystals. In addition, H/D isotope effects on 1H-MAS-NMR spectra were observed in PCP–2-amino-3-methylpyridine. Based on the results of CS simulation using a B3LYP/6-311+G** function, it can be explained that a little changes of the N–H length in H-bond contribute to the H/D isotope shift of the 1H-MAS-NMR peaks.

  6. Yeast-expressed human membrane protein aquaporin-1 yields excellent resolution of solid-state MAS NMR spectra

    Emami, Sanaz; Fan Ying; Munro, Rachel; Ladizhansky, Vladimir; Brown, Leonid S., E-mail: lebrown@uoguelph.ca [University of Guelph, Departments of Physics, and Biophysics Interdepartmental Group (Canada)

    2013-02-15

    One of the biggest challenges in solid-state NMR studies of membrane proteins is to obtain a homogeneous natively folded sample giving high spectral resolution sufficient for structural studies. Eukaryotic membrane proteins are especially difficult and expensive targets in this respect. Methylotrophic yeast Pichia pastoris is a reliable producer of eukaryotic membrane proteins for crystallography and a promising economical source of isotopically labeled proteins for NMR. We show that eukaryotic membrane protein human aquaporin 1 can be doubly ({sup 13}C/{sup 15}N) isotopically labeled in this system and functionally reconstituted into phospholipids, giving excellent resolution of solid-state magic angle spinning NMR spectra.

  7. Yeast-expressed human membrane protein aquaporin-1 yields excellent resolution of solid-state MAS NMR spectra

    One of the biggest challenges in solid-state NMR studies of membrane proteins is to obtain a homogeneous natively folded sample giving high spectral resolution sufficient for structural studies. Eukaryotic membrane proteins are especially difficult and expensive targets in this respect. Methylotrophic yeast Pichia pastoris is a reliable producer of eukaryotic membrane proteins for crystallography and a promising economical source of isotopically labeled proteins for NMR. We show that eukaryotic membrane protein human aquaporin 1 can be doubly (13C/15N) isotopically labeled in this system and functionally reconstituted into phospholipids, giving excellent resolution of solid-state magic angle spinning NMR spectra.

  8. Modification of molybdenum structural environment in borosilicate glasses with increasing content of boron and calcium oxide by 95Mo MAS NMR

    In nuclear borosilicate glasses, when molybdenum is in too high concentration and when it combines with other elements such as alkali and alkaline-earth elements it may form crystalline molybdates, including sodium molybdate, Na2MoO4, during melt cooling. In a nuclear vitrification context, the origin of this phenomenon must be understood to control and to avoid the appearance of this water-soluble crystalline phase. The solubility limit of MoO3 was found to be 2.5 mol% in a simplified SiO2-B2O3-Na2O-CaO nuclear glass at about 1300 degrees C. Higher MoO3 concentrations induced liquid phase separation followed by crystallization of Na2MoO4 and CaMoO4. This study assessed the impact of increasing the CaO and B2O3 content on the tendency of the melts to crystallize and the impact on the glass network structure. Structural analysis (Mo-95 MAS NMR and B-11 MAS NMR) of several glass series and standard SiO2-Na2O-MoO3 or SiO2-CaO-MoO3 glass showed that the nature of the crystallized phases that may appear during cooling of the melt can be controlled by correlation of the proportion of Na+ cations remaining free in the glass network with the soda/lime environment of tetrahedral MoO42- entities. (authors)

  9. Modification of Molybdenum Structural Environment in Borosilicate Glasses with Increasing Content of Boron and Calcium Oxide by 95Mo MAS NMR

    In nuclear borosilicate glasses, when molybdenum is in too high concentration and when it combines with other elements such as alkali and alkaline-earth elements it may form crystalline molybdates, including sodium molybdate, Na2MoO4, during melt cooling. In a nuclear vitrification context, the origin of this phenomenon must be understood to control and to avoid the appearance of this water-soluble crystalline phase. The solubility limit of MoO3 was found to be 2.5 mol% in a simplified SiO2-B2O3-Na2O-CaO nuclear glass at about 1300 degrees C. Higher MoO3 concentrations induced liquid phase separation followed by crystallization of Na2MoO4 and CaMoO4. This study assessed the impact of increasing the CaO and B2O3 content on the tendency of the melts to crystallize and the impact on the glass network structure. Structural analysis (95Mo MAS NMR and 11B MAS NMR) of several glass series and standard SiO2-Na2O-MoO3 or SiO2-CaO-MoO3 glass showed that the nature of the crystallized phases that may appear during cooling of the melt can be controlled by correlation of the proportion of Na+ cations remaining free in the glass network with the soda/lime environment of tetrahedral MoO42- entities. (authors)

  10. High Field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts

    Hu, Jian Z.; Xu, Suochang; Kwak, Ja Hun; Hu, Mary Y.; Wan, Chuan; Zhao, Zhenchao; Szanyi, Janos; Bao, Xinhe; Han, Xiuwen; Wang, Yong; Peden, Charles HF

    2016-04-04

    High field quantitative 27Al MAS NMR and temperature programmed desorption (TPD) of ethanol are used to study the surface and phase transformation of gamma-Al2O3 during calcination in the temperature range of 500 to 1300 degrees C. Following ethanol adsorption, ethylene is generated during TPD with a desorption temperature > 200 degrees C. With increasing calcination temperature prior to TPD, the amount of ethylene produced decreases monotonically. Significantly, 27Al MAS NMR reveals that the amount of penta-coordinate Al3+ ions (Lewis acid sites) also decreases with increasing calcination temperature. In fact, a strong correlation between the amount of penta-coordinate Al3+ ions and the amount of strongly adsorbed ethanol molecules (i.e., the ones that convert to ethylene during TPD) is obtained. This result indicates that the penta-coordinate aluminum sites are the catalytic active sites on alumina surfaces during ethanol dehydration reaction across the entire course of gamma- to alpha-Al2O3 phase transformations.

  11. XRD, FTIR and 13C CP/ MAS NMR Studies of Composite Comprising Poly(vinyl acetate)- silylated Si-MCM-41

    A composite structure based on silylated MCM-41 and Poly(vinyl acetate) (PVAc) was synthesized via solution intercalation. Poly(vinyl acetate)-silylated Si- MCM-41 composite were characterized by XRD, FTIR spectroscopy and 13C CP/ MAS NMR in order to determine the compatibility between PVAc and the silicate host. XRD study reveals that the framework of silylated Si-MCM-41 was not altered upon incorporation of PVAc. FTIR study showed that characteristic peak assigned to carbonyl group in PVAc was observed around 1741.6 cm-1 for all the composites indicating the presence of PVAc in the silylated Si-MCM-41. 13C CP/ MAS NMR showed the increase of line width of the peak assigned to C=O carbonyl group indicating the increase in randomness of polymer chains in confined space. The shifting of the C=O carbonyl groups is a sign of the change in chemical environment of the carbonyl owing to the interaction of PVAc with the silica matrix of silylated Si-MCM-41. (author)

  12. Mechanisms of emission of particles charged in 6Li + 6Li and 6Li + 10B reactions at low energies

    The lithium 6 nucleus is a projectile of interest to study nuclear reactions at low energy due to the possibility to obtain high heats of reaction, and to its structure which can play an important role in the projectile-target interaction. This research thesis focused on the study of two low-energy reactions provoked by lithium projectiles. These reactions are studied within the framework of the theoretical model of aggregates. The first part presents the experimental conditions of both reactions, reports the development and analysis of nuclear plates, and the transformation of a given type of particle histogram into a spectrum in the mass centre system. The next parts report the study of the 6Li + 6Li reaction (previous results, kinematic analysis, spectrum of secondary particles, theoretical analysis of results) and of the 6Li + 10B reaction (previous results, experimental results, study of the continuous spectrum of alpha particle, reaction mechanisms)

  13. 15N Photo-CIDNP MAS NMR To Reveal Functional Heterogeneity in Electron Donor of Different Plant Organisms

    Janssen, Geertje J.; Roy, Esha; Matysik, Jörg; Alia, A.

    2011-01-01

    In plants and cyanobacteria, two light-driven electron pumps, photosystems I and II (PSI, PSII), facilitate electron transfer from water to carbon dioxide with quantum efficiency close to unity. While similar in structure and function, the reaction centers of PSI and PSII operate at widely different potentials with PSI being the strongest reducing agent known in living nature. Photochemically induced dynamic nuclear polarization (photo-CIDNP) in magic-angle spinning (MAS) nuclear magnetic res...

  14. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2016-01-01

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D 1H/13C/1H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond 13C/1H and 13C/13C chemical shift correlations, the 3D 1H/13C/1H experiment also provides a COSY-type 1H/1H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices (1H/1H chemical shift correlation spectrum) at different 13C chemical shift frequencies from the 3D 1H/13C/1H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D 1H/13C/1H experiment would be useful to study the structure and dynamics of a variety of chemical and biological

  15. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2016-01-21

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t{sub 1} and t{sub 3} periods, respectively. In addition to through-space and through-bond {sup 13}C/{sup 1}H and {sup 13}C/{sup 13}C chemical shift correlations, the 3D {sup 1}H/{sup 13}C/{sup 1}H experiment also provides a COSY-type {sup 1}H/{sup 1}H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices ({sup 1}H/{sup 1}H chemical shift correlation spectrum) at different {sup 13}C chemical shift frequencies from the 3D {sup 1}H/{sup 13}C/{sup 1}H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the

  16. Characterizing crystal disorder of trospium chloride: a comprehensive, 13C CP/MAS NMR, DSC, FTIR, and XRPD study

    Urbanová, Martina; Šturcová, Adriana; Brus, Jiří; Beneš, Hynek; Skořepová, E.; Kratochvíl, B.; Čejka, J.; Šeděnková, Ivana; Kobera, Libor; Policianová, Olivia; Šturc, A.

    2013-01-01

    Roč. 102, č. 4 (2013), s. 1235-1248. ISSN 0022-3549 R&D Projects: GA ČR GPP106/11/P426 Institutional support: RVO:61389013 Keywords : trospium chloride * solid state NMR * factor analysis Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 3.007, year: 2013

  17. Two-dimensional MAS NMR correlation protocols involving double-quantum filtering of quadrupolar spin-pairs.

    Edén, Mattias

    2010-05-01

    Three two-dimensional (2D) NMR homonuclear correlation techniques invoking double-quantum (2Q) filtration of the central transitions of half-integer spins are evaluated numerically and experimentally. They correlate directly detected single-quantum (1Q) coherences in the t(2) domain with either of 1Q, two-spin 2Q or single-spin multiple-quantum coherence-evolutions in the indirect (t(1)) dimension. We employ experimental (23)Na and (27)Al NMR on sodium sulfite and the natural mineral sillimanite (SiAl(2)O(5)), in conjunction with simulated 2D spectra from pairs of dipolar-recoupled spins-3/2 and 5/2 at different external magnetic fields, to compare the correlation strategies from the viewpoints of 2D spectral resolution, signal sensitivity, implementational aspects and their relative merits for establishing internuclear proximities and quadrupolar tensor orientations. PMID:20202872

  18. (14)N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies.

    Haies, Ibraheem M; Jarvis, James A; Bentley, Harry; Heinmaa, Ivo; Kuprov, Ilya; Williamson, Philip T F; Carravetta, Marina

    2015-03-01

    Overtone (14)N NMR spectroscopy is a promising route for the direct detection of (14)N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from (1)H to the (14)N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for (14)N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker-Planck equations. PMID:25662410

  19. Acidic properties of SSZ-33 and SSZ-35 novel zeolites: a complex infrared and MAS NMR study

    Gil, B.; Zones, S. I.; Hwang, S.-J.; Voláková, Martina; Čejka, Jiří

    2008-01-01

    Roč. 112, č. 8 (2008), s. 2997-3007. ISSN 1932-7447 R&D Projects: GA ČR GA104/07/0383; GA AV ČR 1QS400400560 Institutional research plan: CEZ:AV0Z40400503 Keywords : nuclear magnetic resonance * adsorbed probe molecules * angle- spinning NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.396, year: 2008

  20. Solid state CP/MAS 13C n.m.r. analysis of particle size and density fractions of soil incubated with uniformly labelled 13C-glucose

    A soil incubated for 34 days in the absence (control) and presence (treated) of uniformly labelled 13C-glucose was dispersed using an ultrasonic probe and fractionated by sedimentation in water and a polytungstate solution of density 2.0 Mg m-3. Solid state CP/MAS 13C n.m.r. (cross polarization/magic angle spinning 13C nuclear magnetic resonance) spectroscopy was used to characterize the chemical structure of the native soil organic carbon and the residual substrate carbon in the fractions of the control and treated soils. To obtain quantitative results it was essential to determine the spin lattice relaxation time in a rotating frame of the individual carbon types in the spectra as the relaxation behaviour of the native organic material in the clay fraction was different from that of the residual substrate carbon. The residual substrate carbon was found to accumulate in predominantly alkyl and O-alkyl structures in both fractions. However, significant amounts of acetal and carboxyl carbon were also observed in the clay fraction. Little if any aromatic or phenolic carbon was synthesized by the soil microorganisms utilizing substrate carbon. Dipolar dephasing CP/MAS 13C n.m.r. experiments were also performed and allowed the proportion of each type of carbon which was protonated and nonprotonated to be estimated. Essentially all of the O-alkyl and acetal carbon, 25-40% of the aromatic carbon and 66-80% of the alkyl carbon was protonated in the fractions isolated from the treated soil. 24 refs., 4 figs., 2 tabs

  1. Transport properties derived from ion-atom collisions: 6Li-6Li+ and 6Li-7Li+ Cases

    Bouledroua, Moncef; Bouchelaghem, Fouzia; LPR Team

    2014-10-01

    This investigation treats quantum-mechanically the ion- atom collisions and computes the transport coefficients, such as the coefficients of mobility and diffusion. For the case of lithium, the calculations start by determining the gerade and ungerade potential curves through which ionic lithium approaches ground lithium. Then, by considering the isotopic effects and nuclear spins, the elastic and charge-transfer cross sections are calculated for the case of 6Li+and7Li+ colliding with 6Li. Finally, the temperature-dependent diffusion and mobility coefficients are analyzed, and the results are contrasted with those obtained from literature. The main results of this work have been recently published in. This work has been realized within the frames of the CNEPRU Project D01120110036 of the Algerian Ministry of Higher Education.

  2. Insights into a lipid regulator by solid-state MAS NMR : kinetic and structure-functional studies on diacylglycerol kinase

    Ullrich, Sandra Johanna

    2013-01-01

    In this thesis the integral membrane protein diacylglycerol kinase (DAGK) from E.coli is investigated with solid-state NMR. The aim is to gain an insight into the enzyme’s mechanism through integration of kinetic, structural and dynamic data. The biological function of DAGK is the transfer of the γ-phosphate group from Mg*ATP to diacylglycerol (DAG) building phosphatidic acid (PA)[6] as port of the membrane-derived oligosaccharide cycle[31,34]. Surprisingly, DAGK does not share structural or ...

  3. Structural investigations of PuIII phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

    Popa, Karin; Raison, Philippe E.; Martel, Laura; Martin, Philippe M.; Prieur, Damien; Solari, Pier L.; Bouëxière, Daniel; Konings, Rudy J. M.; Somers, Joseph

    2015-10-01

    PuPO4 was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as β- decay product of plutonium) in the +III oxidation state was determined based on XANES spectroscopy. High resolution solid state 31P NMR agrees with the XANES results and the presence of a solid-solution.

  4. Structural investigations of PuIII phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

    POPA KARIN; RAISON Philippe; MARTEL LAURA; Martin, Philippe; PRIEUR DAMIEN; SOLARI Pier-Lorenzo; BOUEXIERE Daniel; KONINGS Rudy; SOMERS Joseph

    2015-01-01

    PuPO4 was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as beta- decay product of plutonium) in the +III oxidation state was determined based on XANES results. High resolution solid state 31P NMR seems to agree with the XANES r...

  5. Investigation of the Structure and Active Sites of TiO2 Nanorod Supported VOx Catalysts by High-Field and Fast-Spinning 51V MAS NMR

    Hu, Jian Z.; Xu, Suochang; Li, Weizhen; Hu, Mary Y.; Deng, Xuchu; Dixon, David A.; Vasiliu, Monica; Craciun, Raluca; Wang, Yong; Bao, Xinhe; Peden, Charles HF

    2015-07-02

    Supported VOx/TiO2-Rod catalysts were studied by 51V MAS NMR at high field using a sample spinning rate of 55 kHz. The superior spectral resolution allows for the observation of at least five vanadate species. The assignment of these vanadate species was carried out by quantum mechanical calculations of 51V NMR chemical shifts of model V-surface structures. Methanol oxidative dehydrogenation (ODH) was used to establish the correlation between the reaction rate and the various surface V-sites. It is found that monomeric V-species dominated the catalyst at low vanadium loadings with two peaks observed at about -502 and -529 ppm. V-dimers with two bridged oxygen appeare at about -555 ppm. Vanadate dimers and polyvanadates connected by one bridged oxygen atom between two adjacent V atoms resonate at about -630 ppm. A positive correlation is found between the V-dimers related to the -555 ppm peak and the ODH rate while a better correlation is obtained by including monomeric contributions. This result indicates that surface V-dimers related to the -555 ppm peak are the major active sites for ODH reaction despite mono-V species are more catalytic active but their relative ratios are decreased dramatically at high V-loadings. Furthermore, a portion of the V-species is found invisible. In particular, the level of such invisibility increases with decreased level of V-loading, suggesting the existence of paramagnetic V-species at the surface.

  6. Feshbach resonances in fermionic 6Li

    Feshbach resonances in 6Li were experimentally studied and theoretically analyzed. In addition to two previously known s-wave resonances, three p-wave resonances were found. Four of these resonances are narrow and yield a precise value of the singlet scattering length. The position of the broad s-wave resonance near 83 mT is mostly sensitive to the triplet potential. It was previously determined in a molecule-dissociation experiment for which we, here, discuss systematic shifts

  7. 6Li foil thermal neutron detector

    Ianakiev, Kiril D [Los Alamos National Laboratory; Swinhoe, Martyn T [Los Alamos National Laboratory; Favalli, Andrea [Los Alamos National Laboratory; Chung, Kiwhan [Los Alamos National Laboratory; Macarthur, Duncan W [Los Alamos National Laboratory

    2010-01-01

    In this paper we report on the design of a multilayer thermal neutron detector based on {sup 6}Li reactive foil and thin film plastic scintillators. The {sup 6}Li foils have about twice the intrinsic efficiency of {sup 10}B films and about four times higher light output due to a unique combination of high energy of reaction particles, low self absorption, and low ionization density of tritons. The design configuration provides for double sided readout of the lithium foil resulting in a doubling of the efficiency relative to a classical reactive film detector and generating a pulse height distribution with a valley between neutron and gamma signals similar to {sup 3}He tubes. The tens of microns thickness of plastic scintillator limits the energy deposited by gamma rays, which provides the necessary neutron/gamma discrimination. We used MCNPX to model a multilayer Li foil detector design and compared it with the standard HLNCC-II (18 {sup 3}He tubes operated at 4 atm). The preliminary results of the {sup 6}Li configuration show higher efficiency and one third of the die-away time. These properties, combined with the very short dead time of the plastic scintillator, offer the potential of a very high performance detector.

  8. Hybridizing cross-polarization with NOE or refocused-INEPT enhances the sensitivity of MAS NMR spectroscopy

    Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

    2016-05-01

    Heteronuclear cross polarization (CP) has been commonly used to enhance the sensitivity of dilute low-γ nuclei in almost all solid-state NMR experiments. However, CP relies on heteronuclear dipolar couplings, and therefore the magnetization transfer efficiency becomes inefficient when the dipolar couplings are weak, as is often the case for mobile components in solids. Here, we demonstrate methods that combine CP with heteronuclear Overhauser effect (referred to as CP-NOE) or with refocused-INEPT (referred to as CP-RINEPT) to overcome the efficiency limitation of CP and enhance the signal-to-noise ratio (S/N) for mobile components. Our experimental results reveal that, compared to the conventional CP, significant S/N ratio enhancement can be achieved for resonances originating from mobile components, whereas the resonance signals associated with rigid groups are not significantly affected due to their long spin-lattice relaxation times. In fact, the S/N enhancement factor is also dependent on the temperature, CP contact time as well as on the system under investigation. Furthermore, we also demonstrate that CP-RINEPT experiment can be successfully employed to independently detect mobile and rigid signals in a single experiment without affecting the data collection time. However, the resolution of CP spectrum obtained from the CP-RINEPT experiment could be slightly compromised by the mandatory use of continuous wave (CW) decoupling during the acquisition of signals from rigid components. In addition, CP-RINEPT experiment can be used for spectral editing utilizing the difference in dynamics of different regions of a molecule and/or different components present in the sample, and could also be useful for the assignment of resonances from mobile components in poorly resolved spectra. Therefore, we believe that the proposed approaches are beneficial for the structural characterization of multiphase and heterogeneous systems, and could be used as a building block in

  9. Effect of organic matter application on CP-MAS-13C-NMR spectra of humic acids from a brown soil

    Dou, S.

    2009-04-01

    The humified SOM or humic substances (HS) composed of humic acid (HA), fulvic acid (FA) and humin (HM) represent the most microbially recalcitrant and stable reservoir of organic carbon in soil (Piccolo et al., 2004). OM applications can influence the amount and structural characteristics of HS(Dou et al., 2008). During the past few decades, there has been much research on HS, but their chemical structure is still not fully understood (Dong, 2006).CP-MAS-13C-NMR spectroscopy was considered as an effective method to study structures of HS without dissolving problem compared with liquid 13C-NMR (Conte et al., 1997; Dou et al., 2008). It can directly measure the carbon framework and reflect the nature of HS transformation after OM application (Spaccini et al., 2000). For that reason, this method was applied in this study. The objective of this paper was to clarify the effect of long term OM application on the changes of structural characteristics in HAs, which provided new information for improving soil fertility by OM application. The experiment was carried out on a brown soil (Paleudalf in USDA Soil Taxonomy) at Shenyang Agricultural University, Liaoning province, China (N41°48'-E123°25'). The experiment included 3 treatments: zero-treatment (CKbr), and two pig manure (PM) treatments (O1 and O2) at the rates of 0.9 t ha-1 and 1.8 t ha-1 of organic carbon, respectively. The samples of the HA fraction were extracted, separated and purified according to the method described by Dou et al. (1991). Elemental composition, Differential thermal analysis (DTA), -lgK value, FT-IR and CP-MAS- 13C-NMR of HAs were performed. Effects on the contents of orgaic carbon and its composition. The contents of TOC were from 8.77 g kg-1 to 12.25 g kg-1. The relative contents in TOC for WSS, HA, and FA were 6.87%, 14.2% and 19.8%. Comparing the CKbr, the contents of WSS, HA and FA for O1 and O2 increased, but relative contents of WSS and FA decreased. The content of the HA increased after

  10. Analysis of mercerization process based on the intensity change of deconvoluted resonances of 13C CP/MAS NMR: Cellulose mercerized under cooling and non-cooling conditions

    The area intensity change of C1, C4, and C6 in spectrum obtained by 13C CP/MAS NMR and the mutual relationship between their changes were examined for cellulose samples treated with various concentrations of aqueous NaOH solutions under non-cooling and cooling conditions. The area intensity of C1-up and C6-down changed cooperatively with that of C4-down which corresponds to the crystallinity of samples: “-up” and “-down” are the up- and down- field component in a splitting peak of NMR spectrum, respectively. The intensity change of C1-up starts to decrease with decreasing in that of C4-down after that of C6-down is almost complete. These changes were more clearly observed for samples treated under cooling condition. It can be suggested that their characteristic change relates closely to the change in conformation of cellulose chains by induced decrystallization and the subsequent crystallization of cellulose II, and presumed that their changes at microscopic level relate to the macroscopic morphological changes such as contraction along the length of cellulose chains and recovery along the length. - Highlight: • Samples were mercerized at various NaOH concentrations under non-cooling and cooling. • The intensity change of C1 starts immediately after that of C6 is complete. • The creation of cell-II starts when decrystallization proceeds to a certain state. • This change relates closely to the change in conformation of cellulose chains. • The above change is more clearly found for samples treated under cooling

  11. Amino-acid selective experiments on uniformly 13C and 15N labeled proteins by MAS NMR: Filtering of lysines and arginines

    Jehle, Stefan; Rehbein, Kristina; Diehl, Anne; van Rossum, Barth-Jan

    2006-12-01

    Amino-acid selective magic-angle spinning (MAS) NMR experiments can aid the assignment of ambiguous cross-peaks in crowded spectra of solid proteins. In particular for larger proteins, data analysis can be hindered by severe resonance overlap. In such cases, filtering techniques may provide a good alternative to site-specific spin-labeling to obtain unambiguous assignments that can serve as starting points in the assignment procedure. In this paper we present a simple pulse sequence that allows selective excitation of arginine and lysine residues. To achieve this, we make use of a combination of specific cross-polarization for selective excitation [M. Baldus, A.T. Petkova, J. Herzfeld, R.G. Griffin, Cross polarization in the tilted frame: assignment and spectral simplification in heteronuclear spin systems, Mol. Phys. 95 (1998) 1197-1207.] and spin diffusion for transfer along the amino-acid side-chain. The selectivity of the filter is demonstrated with the excitation of lysine and arginine side-chain resonances in a uniformly 13C and 15N labeled protein preparation of the α-spectrin SH3 domain. It is shown that the filter can be applied as a building block in a 13C- 13C lysine-only correlation experiment.

  12. Resonances in the proton-6Li scattering

    The differential cross section and the analyzing power of the p+6Li scattering were measured in the laboratory energy range from 1.6 respectively 2.8 MeV to 10 MeV at 45 respectively 40 energies in full angular distributions. The data were subjected both to an analysis in the optical model which yielded already hints to resonance effects and to a comphrehensive scattering-phase analysis for L=0, 1, and 2 under inclusion of channel spin and orbital angular momentum mixings. The consistent description of all data required the assumption of broad resonance structures. An approximate parametrization by a Breit-Wigner formula allowed the estimation of the resonance parameters. (orig./HSI)

  13. {sup 1}H and {sup 23}Na MAS NMR spectroscopy of cationic species in CO{sub 2} selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    2012-07-15

    The location of extraframework cations in Sr{sup 2+} and Ba{sup 2+} ion-exchanged SAPO-34 was estimated by means of {sup 1}H and {sup 23}Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO{sub 2} adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO{sub 2} adsorption performance. Highlights: Black-Right-Pointing-Pointer Location of extraframework Sr{sup 2+} or Ba{sup 2+} cations was estimated by means of {sup 1}H and {sup 23}Na MAS NMR. Black-Right-Pointing-Pointer Level of Sr{sup 2+} or Ba{sup 2+} ion exchange was limited by the presence of protons and sodium cations. Black-Right-Pointing-Pointer Presence of ammonium cations in the supercages facilitated the exchange. Black-Right-Pointing-Pointer Sr{sup 2+} and Ba{sup 2+} ion exchanged SAPOs are outstanding CO{sub 2} adsorbents.

  14. Assigning large proteins in the solid state: a MAS NMR resonance assignment strategy using selectively and extensively 13C-labelled proteins

    In recent years, solid-state magic-angle spinning nuclear magnetic resonance spectroscopy (MAS NMR) has been growing into an important technique to study the structure of membrane proteins, amyloid fibrils and other protein preparations which do not form crystals or are insoluble. Currently, a key bottleneck is the assignment process due to the absence of the resolving power of proton chemical shifts. Particularly for large proteins (approximately >150 residues) it is difficult to obtain a full set of resonance assignments. In order to address this problem, we present an assignment method based upon samples prepared using [1,3-13C]- and [2-13C]-glycerol as the sole carbon source in the bacterial growth medium (so-called selectively and extensively labelled protein). Such samples give rise to higher quality spectra than uniformly [13C]-labelled protein samples, and have previously been used to obtain long-range restraints for use in structure calculations. Our method exploits the characteristic cross-peak patterns observed for the different amino acid types in 13C-13C correlation and 3D NCACX and NCOCX spectra. An in-depth analysis of the patterns and how they can be used to aid assignment is presented, using spectra of the chicken α-spectrin SH3 domain (62 residues), αB-crystallin (175 residues) and outer membrane protein G (OmpG, 281 residues) as examples. Using this procedure, over 90% of the Cα, Cβ, C' and N resonances in the core domain of αB-crystallin and around 73% in the flanking domains could be assigned (excluding 24 residues at the extreme termini of the protein)

  15. Assigning large proteins in the solid state: a MAS NMR resonance assignment strategy using selectively and extensively {sup 13}C-labelled proteins

    Higman, Victoria A. [Leibniz-Institut fuer Molekulare Pharmakologie (Germany); Flinders, Jeremy [Genentech, Inc., Structural Biology Department (United States); Hiller, Matthias; Jehle, Stefan; Markovic, Stefan; Fiedler, Sebastian; Rossum, Barth-Jan van; Oschkinat, Hartmut [Leibniz-Institut fuer Molekulare Pharmakologie (Germany)], E-mail: oschkinat@fmp-berlin.de

    2009-08-15

    In recent years, solid-state magic-angle spinning nuclear magnetic resonance spectroscopy (MAS NMR) has been growing into an important technique to study the structure of membrane proteins, amyloid fibrils and other protein preparations which do not form crystals or are insoluble. Currently, a key bottleneck is the assignment process due to the absence of the resolving power of proton chemical shifts. Particularly for large proteins (approximately >150 residues) it is difficult to obtain a full set of resonance assignments. In order to address this problem, we present an assignment method based upon samples prepared using [1,3-{sup 13}C]- and [2-{sup 13}C]-glycerol as the sole carbon source in the bacterial growth medium (so-called selectively and extensively labelled protein). Such samples give rise to higher quality spectra than uniformly [{sup 13}C]-labelled protein samples, and have previously been used to obtain long-range restraints for use in structure calculations. Our method exploits the characteristic cross-peak patterns observed for the different amino acid types in {sup 13}C-{sup 13}C correlation and 3D NCACX and NCOCX spectra. An in-depth analysis of the patterns and how they can be used to aid assignment is presented, using spectra of the chicken {alpha}-spectrin SH3 domain (62 residues), {alpha}B-crystallin (175 residues) and outer membrane protein G (OmpG, 281 residues) as examples. Using this procedure, over 90% of the C{alpha}, C{beta}, C' and N resonances in the core domain of {alpha}B-crystallin and around 73% in the flanking domains could be assigned (excluding 24 residues at the extreme termini of the protein)

  16. Spectroscopic information of 6Li from elastic scattering of deuterons, 3He and 4He by 6Li

    The elastic scattering of deuterons, 3He and 4He on 6Li at different incident energies have been analyzed in the framework of the optical model (OM) using ECIS88 as well as SPI GENOA codes. The optical potential parameters were extracted in the phenomenological treatment. A good agreement between theoretical and experimental differential cross-sections was obtained in whole angular range. Parameters for real part of potential have been also calculated microscopically with double-folding model for the d, 3He and 4He scattering, respectively, using DFPOT code. The elastic transfer mechanism has been studied by coupled reaction channel (CRC) method using FRESCO code. Spectroscopic amplitudes of 6Li ≡ t + 3He and 6Li ≡ α + d configurations have been extracted from d, 3He and 4He scattering on 6Li at wide energy range. A comparison between spectroscopic amplitudes obtained from deuteron and α elastically scattering from 6Li has been made. The extracted spectroscopic amplitudes of 6Li ≡ 4He + d(SF = SA2) from 6Li(d, 6Li)d and 6Li(α, 6Li)α are not the same as expected theoretically. (author)

  17. Phosphole complexes of Gold(I) halides: Comparison of solution and solid-state structures by a combination of solution and CP/MAS 31P NMR spectroscopy and x-ray crystallography

    A series of complexes of 1-phenyldibenzophosphole (DBP), 1-phenyl-3,4,-dimethylphosphole (DMPP), and triphenylphosphine of the type LnAuX (n = 1, L = DBP, DMPP, Ph3P, X = Cl, Br, I; n = 3, L = DBP, X = Cl, Br, I; n = 3, L = Ph3P, X = Cl; n = 4, L = DBP, DMPP, X = PF6) have been prepared and characterized. The structures of (DBP)AuCl (1), (DBP)3AuCl (2), and (DMPP)AuCl (3) have been determined from three-dimensional x-ray data collected by counter methods. Crystal structure of the complexes is reported. The CP/MAS 31P(1H) NMR spectrum of complex 1 shows two resonances in a 1:1 intensity ratio, and the CP/MAS 31P(1H) NMR spectrum of complex 3 shows three resonances in a 1:1:1 intensity ratio for reasons that are not yet understood. Though the three phospholes are crystallographically inequivalent (d(AuP) = 2.359 (1), 2.382 (1), and 2.374 (2) angstrom) the molecule has effective Cs symmetry as evidenced by the observation of two 31P resonances in a 2:1 intensity ratio in its CP/MAS 31P(1H) NMR spectrum. Variable-temperature 31P(1H) NMR spectra obtained on solutions of LAuCl + L in various ratios were analyzed to determine the nature of the species present in solution and to gain information regarding their relative stabilities as a function of the nature of the phosphine. 79 refs., 8 figs., 9 tabs

  18. 3He(3H,γ)6Li

    The authors have calculated the 3He(3H,γ)6Li reaction rate at big bang temperatures based on a microscopic study in the framework of the Generator Coordinate Method. It is discussed whether 6Li could be made by 3He + 3H fusion in the early epoch of our universe

  19. The evaluation of cross sections for n + 6Li reaction

    Neutron nuclear data of 6Li are important for fusion neutronics calculation. Therefore, the cross sections for n + 6Li reaction are evaluated in the energy range from 10-5 eV to 20 MeV. In the evaluation, 6Li(n, d+n)4He and 6Li(n, n+d)4He reactions are included. It is concluded that there is really only the second excited level (3.562 MeV) in the inelastic scattering, no assumed levels were taken into account. The evaluated data describe the real process of n + 6Li reactions and improve the existing evaluated libraries such as ENDF/B-6 and JENDL-3

  20. sup 3 He( sub 3 H,. gamma. ) sup 6 Li; Source of sup 6 Li production in the big bang

    Funck, C.; Langanke, K. (Inst. fur Theoretisch Physik I, Univ. Munster, D-4400 Munster (DE))

    1990-01-10

    The authors have calculated the {sup 3}He({sup 3}H,{gamma}){sup 6}Li reaction rate at big bang temperatures based on a microscopic study in the framework of the Generator Coordinate Method. It is discussed whether {sup 6}Li could be made by {sup 3}He + {sup 3}H fusion in the early epoch of our universe.

  1. Structure determination of uniformly {sup 13}C, {sup 15}N labeled protein using qualitative distance restraints from MAS solid-state {sup 13}C-NMR observed paramagnetic relaxation enhancement

    Tamaki, Hajime [Hokkaido University, Graduate School of Life Science (Japan); Egawa, Ayako [Osaka University, Institute for Protein Research (Japan); Kido, Kouki [Hokkaido University, Graduate School of Life Science (Japan); Kameda, Tomoshi [National Institute of Advanced Industrial Science and Technology, Biotechnology Research Institute for Drug Discovery (Japan); Kamiya, Masakatsu; Kikukawa, Takashi; Aizawa, Tomoyasu [Hokkaido University, Faculty of Advanced Life Science (Japan); Fujiwara, Toshimichi [Osaka University, Institute for Protein Research (Japan); Demura, Makoto, E-mail: demura@sci.hokudai.ac.jp [Hokkaido University, Faculty of Advanced Life Science (Japan)

    2016-01-15

    Magic angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) is a powerful method for structure determination of insoluble biomolecules. However, structure determination by MAS solid-state NMR remains challenging because it is difficult to obtain a sufficient amount of distance restraints owing to spectral complexity. Collection of distance restraints from paramagnetic relaxation enhancement (PRE) is a promising approach to alleviate this barrier. However, the precision of distance restraints provided by PRE is limited in solid-state NMR because of incomplete averaged interactions and intermolecular PREs. In this report, the backbone structure of the B1 domain of streptococcal protein G (GB1) has been successfully determined by combining the CS-Rosetta protocol and qualitative PRE restraints. The derived structure has a Cα RMSD of 1.49 Å relative to the X-ray structure. It is noteworthy that our protocol can determine the correct structure from only three cysteine-EDTA-Mn{sup 2+} mutants because this number of PRE sites is insufficient when using a conventional structure calculation method based on restrained molecular dynamics and simulated annealing. This study shows that qualitative PRE restraints can be employed effectively for protein structure determination from a limited conformational sampling space using a protein fragment library.

  2. Studies of the D state of 6Li using the FSU polarized 6Li Beam

    One way to quantify the D-state component of the wave function of a nucleus is by the quantity η, the ratio of the D- and S-state asymptotic normalization constants. Analyses of the analyzing powers from transfer reactions induced by polarized ions have been useful for the determination of η in the A=2-4 systems. In an effort to determine η for the d+α relative motion in 6Li we have measured analyzing powers for (6L rvec i,d) reactions on 58Ni and 40Ca at E(6Li)=34 and h;MeV. The experiments were performed at Florida State University using the Optically Pumped Polarized Lithium Ion Source. We compared the data with the results of well-constrained DWBA calculations assuming a direct α-particle transfer mechanism. With η the only free parameter in the calculations, a best fit to the tensor analyzing power data results in an average value of η=+0.0003±0.0009, much smaller than previous determinations. copyright 1999 American Institute of Physics

  3. Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations

    Paluch, P.; Pawlak, T.; Jeziorna, A.; Trébosc, J.; Hou, G.; Vega, A. J.; Amoureux, J. P.; Dračínský, Martin; Polenova, T.; Potrzebowski, M. J.

    2015-01-01

    Roč. 17, č. 43 (2015), s. 28789-28801. ISSN 1463-9076 R&D Projects: GA ČR GA15-11223S Institutional support: RVO:61388963 Keywords : solid-state NMR * angle spinning NMR * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.493, year: 2014 http://pubs.rsc.org/en/content/articlepdf/2015/cp/c5cp04475h

  4. Efficient and facile Ar-Si bond cleavage by montmorillonite KSF: synthetic and mechanistic aspects of solvent-free protodesilylation studied by solution and solid-state MAS NMR.

    Zafrani, Yossi; Gershonov, Eytan; Columbus, Ishay

    2007-08-31

    A facile and efficient method for the cleavage of the Ar-Si bond of various aryl trimethyl silanes is described. When adsorbed on montmorillonite KSF (mont KSF), these arylsilanes readily undergo a solvent-free protodesilylation to the corresponding arenes at room temperature in excellent yields. This approach seems to be superior to the traditional mild methods (i.e., desilylation by TFA, TBAF, CsF), in terms of reaction yield, rate, and environmentally benign conditions. Some mechanistic studies using both solution and solid-state magic-angle spinning (SS MAS) (1)H NMR are also presented. PMID:17676903

  5. X particle effect for 6Li reaction rates calculations

    The inferred primordial 6Li-7Li abundances are different from standard big bang nucleosynthesis results, 6Li is 1000 times larger and 7Li is 3 times smaller than the big bang prediction. In big bang nucleosynthesis, negatively charged massive X particles a possible solution to explain this primordial Li abundances problem [1]. In this study, we consider only X particle effect for nuclear reactions to obtain S-factor and reaction rates for Li. All S-factors calculated within the Optical Model framework for d(α,γ)6Li system. We showed that the enhancement effect of massive negatively charged X particle for 6Li system reaction rate.(author)

  6. 6^Li in the atmosphere of GJ 117 Revisited

    Christian, D J; Jevremovic, D

    2008-01-01

    Detection of 6^Li has been shown for energetic solar events, one chromospherically active binary, and several dwarf halo stars. We had previously found a 6^Li/7^Li = 0.03+/-0.01 for active K dwarf GJ 117 using VLT UVES observations. Here we present high signal-to-noise (>1000) high spectral resolution observations taken with the McDonald Observatory's 2.7m and echelle spectrometer of GJ 117. We have used the solar spectrum and template stars to eliminate possible blends, such as Ti I, in the 6^Li spectral region. Our new analysis, using an updated PHOENIX model atmosphere finds 6^Li/7^Li = 0.05+/-0.02. Additionally, bisector analysis showed no significant red asymmetries that would affect the lithium line profile. No changes above the statistical uncertainties are found between the VLT and McDonald data. The amount of 6^Li derived for GJ 117 is consistent with creation in spallation reactions on the stellar surface, but we caution that uncertainties in the continuum level may cause additional uncertainty in t...

  7. CDCC calculations of elastic scattering for the systems 6Li+144Sm and 6Li+208Pb. Effect of resonances of 6Li on elastic scattering angular distributions

    Calculations of elastic scattering angular distributions for reactions of the weakly bound projectile 6Li with targets 144Sm and 208Pb at energies above the barrier, are performed with the Continuum Discretized Coupled-Channel method (CDCC). Ground, resonant and nonresonant continuum states of 6Li are included up to some maximum energy εmax for which convergence is achieved. In the three-body system, global interactions are used for the α-target and d - target sub-systems. The effect of continuum resonant states of 6Li, i.e., l = 2, jπ = 3+, 2+ and 1+ on elastic scattering angular distributions is investigated by extracting these states from the continuum space. It is found that the calculated elastic scattering angular distributions are in good agreement with the measurements for most of the cases studied where consideration of couplings to continuum states is essential. It is also found that the resonance character of the continuum states is in some cases important to obtain agreement with the data

  8. Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of {alpha}-spectrin by MAS solid-state NMR

    Chevelkov, Veniamin [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany); Faelber, Katja [Max-Delbrueck-Centrum fuer Molekulare Medizin (Germany); Diehl, Anne [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany); Heinemann, Udo [Max-Delbrueck-Centrum fuer Molekulare Medizin (Germany); Oschkinat, Hartmut; Reif, Bernd [Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany)], E-mail: reif@fmp-berlin.de

    2005-04-15

    Water molecules are a major determinant of protein stability and are important for understanding protein-protein interactions. We present two experiments which allow to measure first the effective T{sub 2} decay rate of individual amide proton, and second the magnetization build-up rates for a selective transfer from H{sub 2}O to H{sup N} using spin diffusion as a mixing element. The experiments are demonstrated for a uniformly {sup 2}H, {sup 15}N labeled sample of a microcrystalline SH3 domain in which exchangeable deuterons were back-substituted with protons. In order to evaluate the NMR experimental data, as X-ray structure of the protein was determined using the same crystallization protocol as for the solid-state NMR sample. The NMR experimental data are correlated with the dipolar couplings calculated from H{sub 2}O-H{sup N} distances which were extracted from the X-ray structure of the protein. We find that the H{sup N}T{sub 2} decay rates and H{sub 2}O-H{sup N} build-up rates are sensitive to distance and dynamics of the detected water molecules with respect to the protein. We show that qualitative information about localization and dynamics of internal water molecules can be obtained in the solid-state by interpretation of the spin dynamics of a reporter amide proton.

  9. Solid state NMR of proteins at high MAS frequencies: symmetry-based mixing and simultaneous acquisition of chemical shift correlation spectra

    Bellstedt, Peter [Fritz Lipmann Institute, Biomolecular NMR spectroscopy, Leibniz Institute for Age Research (Germany); Herbst, Christian [Ubon Ratchathani University, Department of Physics, Faculty of Science (Thailand); Haefner, Sabine; Leppert, Joerg; Goerlach, Matthias; Ramachandran, Ramadurai, E-mail: raman@fli-leibniz.de [Fritz Lipmann Institute, Biomolecular NMR spectroscopy, Leibniz Institute for Age Research (Germany)

    2012-12-15

    We have carried out chemical shift correlation experiments with symmetry-based mixing sequences at high MAS frequencies and examined different strategies to simultaneously acquire 3D correlation spectra that are commonly required in the structural studies of proteins. The potential of numerically optimised symmetry-based mixing sequences and the simultaneous recording of chemical shift correlation spectra such as: 3D NCAC and 3D NHH with dual receivers, 3D NC Prime C and 3D C Prime NCA with sequential {sup 13}C acquisitions, 3D NHH and 3D NC Prime H with sequential {sup 1}H acquisitions and 3D CANH and 3D C'NH with broadband {sup 13}C-{sup 15}N mixing are demonstrated using microcrystalline samples of the {beta}1 immunoglobulin binding domain of protein G (GB1) and the chicken {alpha}-spectrin SH3 domain.

  10. 6Li-doped silicate glass for thermal neutron shielding

    Glass formulations are described that contain high concentrations of 6Li and are suitable for use as thermal neutron shielding. One formulation contained 31 mol% of 6Li2O and 69 mol% of SiO2. Studies were performed on a second formulation that contained as much as 37 mol% of 6Li2O and 59 mol% of SiO2, with 4 mol% Al2O3 added to prevent crystallization at such high 6Li2O concentrations. These lithium silicate glasses can be formed into a variety of shapes using conventional glass fabrication techniques. Examples include flat plates, disks, hollow cylinders, and other more complex geometries. Both in-beam and in-core experiments have been performed to study the use and durability of Li silicate glasses. In-core experiments show the glass can withstand the intense radiation fields near the core of a reactor. The neutron attenuation of the glasses used in these studies was 90%/mm. In-beam studies show that the glass is effective for reducing the gamma-ray and neutron fields near experiments. ((orig.))

  11. Reaction mechanisms in the 6Li+ 52Cr system

    Pandey Bhawna

    2015-01-01

    Full Text Available Reactions induced by the weakly bound 6Li projectile interacting with the intermediate mass target 52Cr are investigated. The choice of this particular reaction in our study is because it is proposed as a surrogate reaction [6Li(52Cr, d56Fe*] for the measurement of 55Fe(n,p reaction cross-section, which has been found to be very important in fusion reactor studies. All the conditions which have to be satisfied for using the surrogate method have been checked. The energy of 6Li beam is selected in a way so as to get equivalent neutron energy in the region of 9-14 MeV, which is of primary interest in fusion reactor application. In the present work, statistical model calculations PACE (Projection-Angular-Momentum-Coupled-Evaporation, ALICE and Continuum-Discretized–Coupled-Channel (CDCC: FRESCO have been used to provide information for the 6Li + 52Cr system and the respective contributions of different reaction mechanisms. The present theoretical work is an important step in the direction towards studying the cross-section of the 55Fe(n, p55Mn reaction by surrogate method.

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

    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 CO2 at room temperature and high relative humidity and studied after one to 12 weeks. 29Si 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 Q3 and Q4 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 13C NMR. For C–A–S–H samples with Ca/Si = 1.0 and 1.5, 27Al 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)4 units in the amorphous silica phase. A small amount of penta-coordinated Al sites has also been identified in the silica phase

  13. 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

    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.

  14. Elemental and structural analysis of silicon forms in herbal drugs using silicon-29 MAS NMR and WD-XRF spectroscopic methods.

    Pajchel, L; Nykiel, P; Kolodziejski, W

    2011-12-01

    The objective of this work was to study concentration of silicon and its structural forms present in herbal drugs. Equisetum arvense and Urtica dioica L. from teapot bags, dietary supplements (tablets and capsules) containing those herbs, dry extract obtained from a teapot bag of E. arvense, and samples of the latter herb harvested in wild habitat over four months were studied using wavelength dispersive X-ray spectroscopy (WD-XRF) and high-resolution solid-state (29)Si NMR. The highest concentration of Si, ca. 27mg/g, was found in the herbal material from the teapot bags containing E. arvense. The Si content in natural E. arvense (whole plants) increased from May to August by ca. 7mg/g, reaching value 26mg/g. Three different silicon forms were detected in the studied herbal samples: Si(OSi)4 (Q(4)), Si(OH)(OSi)3 (Q(3)) and Si(OH)2(OSi)2 (Q(2)). Those sites were populated in E. arvense in the following order: Q(4)≫Q(3)>Q(2). A dramatic, ca. 50-fold decrease of the Si concentration during the infusion process was observed. The infusion process and the subsequent drying procedure augmented population of the Q(4) sites at the cost of the Q(2) sites. The WD-XRF and (29)Si NMR methods occurred useful and complementary in the study of herbal materials. PMID:21813258

  15. Investigation of Pozzolanic Reaction in Nanosilica-Cement Blended Pastes Based on Solid-State Kinetic Models and 29Si MAS NMR

    Jiho Moon

    2016-02-01

    Full Text Available The incorporation of pozzolanic materials in concrete has many beneficial effects to enhance the mechanical properties of concrete. The calcium silicate hydrates in cement matrix of concrete increase by pozzolanic reaction of silicates and calcium hydroxide. The fine pozzolanic particles fill spaces between clinker grains, thereby resulting in a denser cement matrix and interfacial transition zone between cement matrix and aggregates; this lowers the permeability and increases the compressive strength of concrete. In this study, Ordinary Portland Cement (OPC was mixed with 1% and 3% nanosilica by weight to produce cement pastes with water to binder ratio (w/b of 0.45. The specimens were cured for 7 days. 29Si nuclear magnetic resonance (NMR experiments are conducted and conversion fraction of nanosilica is extracted. The results are compared with a solid-state kinetic model. It seems that pozzolanic reaction of nanosilica depends on the concentration of calcium hydroxide.

  16. Unusual Threshold Anomaly in the 6Li+208Pb System

    ZHANG Chun-Lei; JIA Hui-Ming; WU Zhen-Dong; XU Xin-Xing; BAI Chun-Lin; ZHANG Huan-Qiao; LIN Cheng-Jian; RUAN Ming; LIU Zu-Hua; YANG Feng; WU Xiu-Kun; ZHOU Ping; AN Guang-Peng

    2006-01-01

    @@ The angular distributions of elastic scattering for the 6Li +208Pb system have been measured at several energies around the Coulomb barrier. The parameters of optical potential are extracted by means of a phenomenological optical model analysis. It is found that the real and imaginal potentials show a pronounced energy dependence.The behaviour of the potential at the nearly especially sub-barrier energies in the 6Li+208Pb system is quite different from the results of some previous reports observed in other systems, such as 19 F +208 Pb and 16 O+208 Pb.This unusual threshold phenomenon indicates that breakup channel is strongly coupled with the elastic channel and has obvious effects on optical potential.

  17. Feshbach resonances in mixtures of 6Li and 40K

    We report on the measurement of Feshbach resonances in Fermi-Fermi mixtures. For this purpose we have created an ultracold mixture of the fermionic alkali isotopes 6Li and 40K in an optical dipole trap. In the same trap we have realized a three-component degenerate spin mixture of 40K -atoms at T 0.3TF. To create the mixture we start by loading a two-species magneto-optical trap (MOT) from two separate 2D-MOT sources. We realized for the first time a 2D-MOT source for lithium, yielding a large cold flux of up to 109 s-1. The mixture is then captured in an optically-plugged magnetic quadrupole trap. After sympathetic cooling of 6Li by 40K to T∝10μK the mixture is loaded into optical tweezers. The mixture is optically transported over a distance of 21.5 cm into a science cell where we measure Feshbach resonances using magnetic field coils designed for high homogeneity. We report on our progress measuring the width of Feshbach resonances in 6Li -40K mixtures and locating resonances in mixtures of 40K.

  18. Inter- and intramolecular distance measurements by solid-state MAS NMR: Determination of gramicidin A channel dimer structure in hydrated phospholipid bilayers

    Fu Riqiang; Cotten, Myriam; Cross, Timothy A. [Center for Interdisciplinary Magnetic Resonance, National High Magnetic Field Laboratory (United States)

    2000-03-15

    Distance constraints are an important complement to orientational constraints. While a high-resolution monomer structure of the ion channel forming polypeptide, gramicidin A, has been solved with 120 orientational constraints, the precise geometry of the dimer interface has not been characterized. Here, using both {sup 13}C and {sup 15}N labeled gramicidin A samples in hydrated phospholipid bilayers, both inter- and intramolecular distances have been measured with a recently developed simultaneous frequency and amplitude modulation (SFAM) solid-state NMR scheme. Using this approach {sup 15}N-{sup 13}C{sub 1} residual dipolar couplings across a hydrogen bond as small as 20 {+-} 2 Hz have been characterized. While such distances are on the order of 4.2 {+-} 0.2 A, the spectroscopy is complicated by rapid global motion of the molecular structure about the bilayer normal and channel axis. Consequently, the nominal 40 Hz dipolar coupling is averaged depending on the orientation of the internuclear vector with respect to the motional axis. The intermolecular distance confirmed the previously described monomeric structure, while the intramolecular distance across the monomer-monomer interface defined this junction and confirmed the previous model of this interface.

  19. (29)Si, (47)Ti, (49)Ti and (195)Pt solid state MAS NMR spectroscopic investigations of ternary silicides TPtSi, germanides TPtGe (T = Ti, Zr, Hf) and stannide TiPtSn.

    Benndorf, Christopher; Eckert, Hellmut; Pöttgen, Rainer

    2016-05-10

    Eight ternary tetrelides TPtX (T = Ti, Zr, Hf; X = Si, Ge, Sn) were synthesized from the elements by arc-melting and subsequent annealing. TiPtSi, ZrPtSi, ZrPtGe, HfPtSi and HfPtGe crystallize with the orthorhombic TiNiSi type structure, in the space group Pnma. The structures of HfPtSi (a = 654.44(9), b = 387.97(6), c = 750.0(1) pm, wR2 = 0.0592, 411 F(2) values, 20 variables) and HfPtGe (a = 660.36(7), b = 395.18(4), c = 763.05(8) pm, wR2 = 0.0495, 430 F(2) values, 20 variables) were refined from single crystal X-ray diffractometer data. TiPtSn adopts the cubic MgAgAs type. TiPtGe is dimorphic with a TiNiSi type high-temperature modification which transforms to cubic LT-TiPtGe (MgAgAs type). All phases were investigated by high resolution (29)Si, (47)Ti, (49)Ti and (195)Pt solid state MAS NMR spectroscopy. In the cubic compounds, the (47/49)Ti NMR signals are easily detected owing to the absence of quadrupolar broadening effects. The (195)Pt resonances of the orthorhombic compounds are characterized by strongly negative isotropic Knight shifts and large Knight shift anisotropies, whereas positive isotropic Knight shifts and no anisotropies are observed for the cubic compounds. These results indicate that the phase transition in TiPtGe is associated with dramatic changes in the electronic properties. Within each group of isotypic compounds the isotropic (29)Si, (47/49)Ti and (195)Pt Knight shifts show systematic dependences on the transition metal or tetrel atomic number, suggesting that the numerical values are influenced by the electronegativities of the metallic (or metalloid) neighbours. PMID:27097719

  20. Analysis of mercerization process based on the intensity change of deconvoluted resonances of {sup 13}C CP/MAS NMR: Cellulose mercerized under cooling and non-cooling conditions

    Miura, Kento [Mitsubishi Rayon Co., Ltd. Otake Research Laboratories (Japan); Nakano, Takato, E-mail: tnakano@kais.kyoto-u.ac.jp [Laboratory of Biomaterials Design, Division of Forest and Biomaterials Science, Graduate School of Agriculture, Kyoto University (Japan)

    2015-08-01

    The area intensity change of C1, C4, and C6 in spectrum obtained by {sup 13}C CP/MAS NMR and the mutual relationship between their changes were examined for cellulose samples treated with various concentrations of aqueous NaOH solutions under non-cooling and cooling conditions. The area intensity of C1-up and C6-down changed cooperatively with that of C4-down which corresponds to the crystallinity of samples: “-up” and “-down” are the up- and down- field component in a splitting peak of NMR spectrum, respectively. The intensity change of C1-up starts to decrease with decreasing in that of C4-down after that of C6-down is almost complete. These changes were more clearly observed for samples treated under cooling condition. It can be suggested that their characteristic change relates closely to the change in conformation of cellulose chains by induced decrystallization and the subsequent crystallization of cellulose II, and presumed that their changes at microscopic level relate to the macroscopic morphological changes such as contraction along the length of cellulose chains and recovery along the length. - Highlight: • Samples were mercerized at various NaOH concentrations under non-cooling and cooling. • The intensity change of C1 starts immediately after that of C6 is complete. • The creation of cell-II starts when decrystallization proceeds to a certain state. • This change relates closely to the change in conformation of cellulose chains. • The above change is more clearly found for samples treated under cooling.

  1. Fe/ZSM-5 prepared by sublimination of FeCl{sub 3}: The structure of the Fe species as determined by IR, {sup 27}Al MAS NMR, and EXAFS spectroscopy

    Marturano, P.; Drozdova, L.; Kogelbauer, A.; Prins, R.

    2000-05-15

    The state of the iron in two different Fe/ZSM-5 samples prepared by sublimation of FeCl{sub 3} was investigated by EXAFS, IR, {sup 27}Al MAS NMR, XRD, and nitrogen adsorption measurements. In one Fe/ZSM-54 (Fe/Al = 1) sample, EXAFS revealed for the first time the presence of diferric (hydr)oxo-bridged binuclear clusters, whose structures differ from those postulated in the literature, resembling that of the methane monooxygenase enzyme. IR showed that binuclear Fe complexes are located at the ion-exchange positions of the zeolite, compensating one or two lattice charges. The remainder of the charge-compensating one or two lattice charges. The remainder of the charge-compensating sites are Broensted hydroxyls. On both zeolites, the NMR detection of the framework Al atoms (54 ppm) is strongly perturbed by the paramagnetic effects induced by the Fe ions. The intensity of this peak parallels that of the Broensted hydroxyls in the IR spectra, thus reflecting the presence of Fe species at ion-exchange positions. In a second Fe/ZSM-5 (Fe/Al = 0.8) sample, the iron was present predominantly in the form of large hematite particles (EXAFS, XRD), although a minor fraction of binuclear species might be present as well. The formation of different species seems to be related to different hydrolysis processes occurring on the two zeolites upon washing of the preparation after the sublimation of FeCl{sub 3}. It is also suggested that the final state of the Fe depends on the presence of extraframework Al species as well as the crystallite size of the zeolite used.

  2. Substitution of Lithium for Magnesium, Zinc, and Aluminum in Li15 Si4 : Crystal Structures, Thermodynamic Properties, as well as (6) Li and (7) Li NMR Spectroscopy of Li15 Si4 and Li15-x Mx Si4 (M=Mg, Zn, and Al).

    Baran, Volodymyr; van Wüllen, Leo; Fässler, Thomas F

    2016-05-01

    An investigation into the substitution effects in Li15 Si4 , which is discussed as metastable phase that forms during electrochemical charging and discharging cycles in silicon anode materials, is presented. The novel partial substitution of lithium by magnesium and zinc is reported and the results are compared to those obtained for aluminum substitution. The new lithium silicides Li14 MgSi4 (1) and Li14.05 Zn0.95 Si4 (2) were synthesized by high-temperature reactions and their crystal structures were determined from single-crystal data. The magnetic properties and thermodynamic stabilities were investigated and compared with those of Li14.25 Al0.75 Si4 (3). The substitution of a small amount of Li in metastable Li15 Si4 for more electron-rich metals, such as Mg, Zn, or Al, leads to a vast increase in the thermodynamic stability of the resulting ternary compounds. The (6,7) Li NMR chemical shift and spin relaxation time T1 -NMR spectroscopy behavior at low temperatures indicate an increasing contribution of the conduction electrons to these NMR spectroscopy parameters in the series for 1-3. However, the increasing thermal stability of the new ternary phases is accompanied by a decrease in Li diffusivity, with 2 exhibiting the lowest activation energy for Li mobility with values of 56, 60, and 62 kJ mol(-1) for 2, Li14.25 Al0.75 Si14 , and 1, respectively. The influence of the metastable property of Li15 Si4 on NMR spectroscopy experiments is highlighted. PMID:27027661

  3. Study of the reactions 6Li(pα)3He, 6Li(dα)4He, 6Li(dp0)7Li and 6Li(dp1)7Li* from 300 keV to 1000 keV

    Experimental results are presented for the four reactions 6Li (pα)3He, 6Li (dα)4He, 6Li (dp0)7Li and 6Li (dp1)7Li* between 300 keV and 1000 keV. The angular distributions, the excitation curves and the total cross-section curves are presented in absolute values. (authors)

  4. Evolution of crystalline aluminates from hybrid gel-derived precursors studied by XRD and multinuclear solid-state MAS NMR; I. Celsian, BaAl{sub 2}Si{sub 2}O{sub 8}

    MacKenzie, K.J.D.; Kemmitt, T. [New Zealand Institute for Industrial Research and Development, P.O. Box 31-310, Lower Hutt (New Zealand)

    1999-01-04

    Hybrid gels of celsian composition were prepared from Al alkoxide, tetrathylorthosilicate (TEOS) and Ba acetate and their structure evolution was studied up to 1300C by thermal analysis and X-ray diffraction. Information on their pre-crystallization behaviour was also provided by {sup 27}Al, {sup 29}Si and {sup 137}Ba MAS NMR spectroscopy. Apart from some excess Ba acetate which decomposed to traces of BaCO{sub 3} and BaO by ca. 500C, the gels are X-ray amorphous and relatively homogeneous, and begin to crystallize to hexagonal celsian at 900C. From {approx}500C onwards, an Al-substituted tetrahedral SiO{sub 4} framework begins to be established, evidenced by a progressive increase in the tetrahedral {sup 27}Al sites and the Q{sup 4}(4Al) {sup 29}Si resonance. Migration of Ba into the polyhedral celsian sites occurs much more slowly. A small amount of mullite and Ba{sub 2}SiO{sub 4} which crystallize from Al-rich and Ba-rich regions, respectively, also form crystalline celsian in secondary reactions at ca. 1100C. The observation of a {sup 27}Al shoulder at ca. 36 ppm at 500-900C may arise from Ba-poor mullite-like regions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  5. Evolution of crystalline aluminates from hybrid gel-derived precursors studied by XRD and multinuclear solid-state MAS NMR; I. Celsian, BaAl2Si2O8

    Hybrid gels of celsian composition were prepared from Al alkoxide, tetrathylorthosilicate (TEOS) and Ba acetate and their structure evolution was studied up to 1300C by thermal analysis and X-ray diffraction. Information on their pre-crystallization behaviour was also provided by 27Al, 29Si and 137Ba MAS NMR spectroscopy. Apart from some excess Ba acetate which decomposed to traces of BaCO3 and BaO by ca. 500C, the gels are X-ray amorphous and relatively homogeneous, and begin to crystallize to hexagonal celsian at 900C. From ∼500C onwards, an Al-substituted tetrahedral SiO4 framework begins to be established, evidenced by a progressive increase in the tetrahedral 27Al sites and the Q4(4Al) 29Si resonance. Migration of Ba into the polyhedral celsian sites occurs much more slowly. A small amount of mullite and Ba2SiO4 which crystallize from Al-rich and Ba-rich regions, respectively, also form crystalline celsian in secondary reactions at ca. 1100C. The observation of a 27Al shoulder at ca. 36 ppm at 500-900C may arise from Ba-poor mullite-like regions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  6. Examination of the structure in solid state of amino analogs of 4,4‧-[1,5-pentanediylbis(oxy)]bisbenzonitrile by means of X-ray diffraction, 13C CP/MAS NMR, and theoretical calculations

    Maciejewska, Dorota; Wolska, Irena; Żabiński, Jerzy

    2008-05-01

    A single crystal of X-ray diffraction structures is presented for 4,4'-[1,5-(3-oxapentanediylbis(amino))]bisbenzonitrile 2 and 4,4'-[1,5-( N-methyl-3-azapentane-diylbis(oxy))]bisbenzonitrile 3. The molecular structures of these derivatives differ especially in conformations of the central linker: in 2 this linker adopts a trans/ gauche conformation, whereas in 3 - a fully extended conformation. The N atoms in various positions of the aliphatic linker change dramatically the molecular packing mode of both bisnitriles. But in both cases the nitrile groups take part in intermolecular hydrogen bonds: a type of N sbnd H···N in 2 and of C sbnd H···N in 3. Various conformations of both molecules were reflected in 13C CP/MAS NMR spectra in solid state as single and double resonance patterns for 2 and 3, respectively. A preliminary anticancer assay against 60 cell lines of 3 reveals strong growth inhibition of leukemia, melanoma, and renal cancer cells.

  7. Tensor polarization of 6Li*(2.186 MeV, 3+) in the 9Be(p,α)6Li reaction at 40 MeV

    Tensor moments tkq have been determined for the 6Li*(2.186 MeV, 3+) state produced in the 9Be(p,α1)6Li reaction at 40 MeV. Angular correlation measurements were made between α1 and the α-particle or deuteron fragment from the breakup of 6Li*. Comparison of the tkq are made with the predictions of a model that includes direct and exchange processes. Angular distributions of the differential cross sections for the 9Be(p,α)6Li reaction for the g.s. and first two excited states are presented. (orig.)

  8. Resonant and nonresonant Coulomb break up of 6Li

    The resonant and nonresonant cross section for break up of 6Li in the Coulomb field of a heavy nucleus is theoretically studied on the basis of a DWBA approach and analysed in view of a possible experimental access to electromagnetic transition matrix elements between the ground state of the projectile and α+d continuum states at small relative energies. The calculation explicitly uses some simplifications appearing in the particular case of quadrupole transitions which dominate the considered case. Various sensitivities of the cross sections are discussed. (orig.)

  9. Ab initio no-core solutions for $^6$Li

    Shin, Ik Jae; Maris, Pieter; Vary, James P; Forssén, Christian; Rotureau, Jimmy; Michel, Nicolas

    2016-01-01

    We solve for properties of $^6$Li in the ab initio No-Core Full Configuration approach and we separately solve for its ground state and $J^{\\pi}=2_{2}^{+}$ resonance with the Gamow Shell Model in the Berggren basis. We employ both the JISP16 and chiral NNLO$_{opt}$ realistic nucleon-nucleon interactions and investigate the ground state energy, excitation energies, point proton root-mean-square radius and a suite of electroweak observables. We also extend and test methods to extrapolate the ground state energy, point proton root-mean-square radius, and electric quadrupole moment. We attain improved estimates of these observables in the No-Core Full Configuration approach by using basis spaces up through N$_{max}$=18 that enable more definitive comparisons with experiment. Using the Density Matrix Renormalization Group approach with the JISP16 interaction, we find that we can significantly improve the convergence of the Gamow Shell Model treatment of the $^6$Li ground state and $J^{\\pi}=2_{2}^{+}$ resonance by ...

  10. Photoassociative creation of ultracold heteronuclear 6Li40K* molecules

    Ridinger, Armin; Salez, Thomas; Fernandes, Diogo Rio; Bouloufa, Nadia; Dulieu, Olivier; Salomon, Christophe; Chevy, Frederic

    2011-01-01

    We investigate the formation of weakly bound, electronically excited, heteronuclear 6Li40K* molecules by single-photon photoassociation in a magneto-optical trap. We performed trap loss spectroscopy within a range of 325 GHz below the Li(2S_(1/2))+K(4P_(3/2)) and Li(2S_(1/2))+K(4P_(1/2)) asymptotic states and observed more than 60 resonances, which we identify as rovibrational levels of 7 of 8 attractive long-range molecular potentials. The long-range dispersion coefficients and rotational constants are derived. We find large molecule formation rates of up to ~3.5x10^7s^(-1), which are shown to be comparable to those for homonuclear 40K_2*. Using a theoretical model we infer decay rates to the deeply bound electronic ground-state vibrational level X^1\\Sigma^+(v'=3) of ~5x10^4s^(-1). Our results pave the way for the production of ultracold bosonic ground-state 6Li40K molecules which exhibit a large intrinsic permanent electric dipole moment.

  11. ZnS/6Li scintillation material as an alternative to 6Li-glass scintillators for neutron detection in time focusing geometry

    As an alternative of using 6Li-glass scintillators for neutron detection in time focusing geometry the effects of ZnS/6Li scintillation material on the measuring efficiency will be discussed on example of the high resolution RTOF device FSS at GKSS Geesthacht, Germany. ((orig.))

  12. Experimental (X-ray, (13)C CP/MAS NMR, IR, RS, INS, THz) and Solid-State DFT Study on (1:1) Co-Crystal of Bromanilic Acid and 2,6-Dimethylpyrazine.

    Łuczyńska, Katarzyna; Drużbicki, Kacper; Lyczko, Krzysztof; Dobrowolski, Jan Cz

    2015-06-01

    A combined structural, vibrational spectroscopy, and solid-state DFT study of the hydrogen-bonded complex of bromanilic acid with 2,6-dimethylpyrazine is reported. The crystallographic structure was determined by means of low-temperature single-crystal X-ray diffraction, which reveals the molecular units in their native protonation states, forming one-dimensional infinite nets of moderate-strength O···H-N hydrogen bonds. The nature of the crystallographic forces, stabilizing the studied structure, has been drawn by employing the noncovalent interactions analysis. It was found that, in addition to the hydrogen bonding, the intermolecular forces are dominated by stacking interactions and C-H···O contacts. The thermal and calorimetric analysis was employed to probe stability of the crystal phase. The structural analysis was further supported by a computationally assisted (13)C CP/MAS NMR study, providing a complete assignment of the recorded resonances. The vibrational dynamics was explored by combining the optical (IR, Raman, TDs-THz) and inelastic neutron scattering (INS) spectroscopy techniques with the state-of-the-art solid-state density functional theory (DFT) computations. Despite the quasi-harmonic approximation assumed throughout the study, an excellent agreement between the theoretical and experimental data was achieved over the entire spectral range, allowing for a deep and possibly thorough understanding of the vibrational characteristics of the system. Particularly, the significant influence of the long-range dipole coupling on the IR spectrum has been revealed. On the basis of a wealth of information gathered, the recent implementation of a dispersion-corrected linear-response scheme has been extensively examined. PMID:25961154

  13. A Cluster Model of ^6He and ^6Li

    Armstrong, Jeremy; Sakharuk, Alexander; Zelevinsky, Vladimir

    2007-10-01

    Small nuclei provide an ideal testing ground of few-body theories. ^6He is particularly interesting in that it shows an extended particle distribution similar to a halo nucleus, is loosely bound, and is a Borromean system. We apply the Brink Formalism in secondary quantization to study the structure of ^6He. This formalism allows for the proper treatment of Fermi statistics and correct projection into eigenstates of angular momentum. The alpha plus dineutron configuration and ``cigar'' (neutron, alpha, neutron chain) configuration were studied to obtain binding energies, charge radii, matter radii, and B(E2) for ^6He. The same configurations were used to obtain the same observables for ^6Li. We were then able to calculate the log ft value for the beta decay of ^6He. We now examine the effects of different nucleon-nucleon interactions on our systems.

  14. Neutron spectrum measurements in CFRMF by 6Li spectrometry

    The neutron energy spectrum of the Couples Fast Reactivity Measurements Facility (CFRMF) has been measured by the 6Li(n,α)t spectrometry technique between the energies of 10 keV and 8 MeV. These measurements were made in order to improve the knowledge of this benchmark neutron field as related to dosimetry and other integral cross sections. Energy spectra of both the α + t and t responses were obtained simultaneously using two-parameter multichannel pulse height analysis. Spectrometers of different design and resolution characteristics were applied. The data were reduced using recently evaluated cross section information. The results are compared with the neutron spectrum calculated using recently evaluated cross section information. (author)

  15. 6Li electromagnetic form factors and phenomenological cluster models

    The longitudinal form factors of the ground and 2.18 MeV (3+, T = 0) states, and the transverse form factors of the 3.56 MeV (0+, T = 1) and 5.37 MeV (2+, T = 1) states of 6Li are compared with the predictions based on fully antisymmetrized α-d and t-tau cluster models. The longitudinal form factors are adequately described by the α-d model, but the transverse form factors seem to be more consistent with a t-tau model which is close to the shell-model limit. Estimates are made for the ground state t and α spectroscopic factors. The 3.56 MeV M1 transition current density is calculated for both models and compared with experiment. (Auth.)

  16. Quantum effects in the case of (6)Li+ and (7)Li+ ions evolving in a neutral (6)Li gas at a wide range of temperatures.

    Bouchelaghem, F; Bouledroua, M

    2014-02-01

    This work deals with the quantum-mechanical calculation of the temperature-dependent mobility of ionic lithium atoms diffusing in their parent gas. The computation of the quantal phase shifts in connection with the gerade and ungerade potential-energy curves, through which Li(+) approaches Li(2s), leads to the computation of the charge-transfer and diffusion cross sections. The behavior of the coefficients of diffusion and mobility with temperature is also examined. Throughout this work, the isotopic effects in the (6)Li(+)-(6)Li and (7)Li(+)-(6)Li collisions are emphasized. PMID:24326775

  17. THE 2H(alpha, gamma6LI REACTION AT LUNA AND BIG BANG NUCLEOSYNTHETIS

    Carlo Gustavino

    2013-12-01

    Full Text Available The 2H(α, γ6Li reaction is the leading process for the production of 6Li in standard Big Bang Nucleosynthesis. Recent observations of lithium abundance in metal-poor halo stars suggest that there might be a 6Li plateau, similar to the well-known Spite plateau of 7Li. This calls for a re-investigation of the standard production channel for 6Li. As the 2H(α, γ6Li cross section drops steeply at low energy, it has never before been studied directly at Big Bang energies. For the first time the reaction has been studied directly at Big Bang energies at the LUNA accelerator. The preliminary data and their implications for Big Bang nucleosynthesis and the purported 6Li problem will be shown.

  18. Towards 6Li-40K ground state molecules

    The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the 6Li-40K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of 6Li-40K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side of the resonance

  19. Insight into the local magnetic environments and deuteron mobility in jarosite (AFe3(SO4)2(OD)6, A = K, Na, D3O) and hydronium alunite ((D3O)Al3(SO4)2(OD,OD2)6), from variable temperature 2H MAS NMR spectroscopy

    Nielsen, Ulla Gro; Heinmaa, Ivo; Samoson, Ago;

    2011-01-01

    Detailed insight into the magnetic properties and mobility of the different deuteron species in jarosites (AFe3(SO4)2(OD)6, A = K, Na, D3O) is obtained from variable temperature 2H MAS NMR spectroscopy from 40 K to 300 K. Fast MAS results in high resolution spectra of these paramagnetic compounds....... The 2H NMR hyperfine shift (), measured as a function of temperature, provides to be a very sensitive probe of the local magnetic environment. Two different magnetic environments are observed: i) Fe2-OD and D3O+/ in stoichiometric regions of the sample. Here (2H) is proportional to the bulk...... susceptibility and follows a Curie-Weiss law above 150 K. ii) Fe-OD2 and D2O near Fe vacancies. The Fe near these vacancies shows strong local anti-ferromagnetic couplings even high above the Néel temperature (ca. 65 K). 2H NMR can discriminate between D2O and D3O+ ions substituted on the A site due to the...

  20. An X-ray diffraction and P-31 MAS NMR study of rare-earth phosphate glasses, (R2O3)(x)(P2O5)(1-x), x=0.175-0.263, R = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er

    Cole, Jacqueline M.; van Eck, Ernst R. H.; Mountjoy, Gavin; Anderson, Ruth; Brennan, Tessa; Bushnell-Wye, Graham; Newport, Robert J; Saunders, George A.

    2001-01-01

    An X-ray diffraction and P-31 MAS NMR study of rare-earth phosphate glasses of composition, (R2O3)(x)P2O5)(1-x), where x = 0.175-0.263 and R = La-Er (except for Pm), is presented. The structures of these materials were investigated as a function of (a) rare-earth atomic number and (b) glass composition, The results show an increase in rare-earth coordination number from six to seven as the rare-earth ion increases in size. This effect is most evident for the rare earths, Ce, Pr and Nd, and ap...

  1. Development of {sup 6}LiF thermal neutron shield for PGNAA

    Kim, M. S.; Park, J. H.; Hong, K. W.; Jun, B. J. [KAERI, Taejon (Korea, Republic of); Bun, S. H.; Choi, H. D. [Seoul National Univ., Seoul (Korea, Republic of)

    2001-05-01

    The {sup 6}LiF tile which will be utilized as the neutron shield of the gamma ray detector at the prompt gamma neutron activation analysis facility of KAERI-HANARO is developed. The {sup 6}LiF powder is obtained by the reaction of hydrofluoric acid with the {sup 6}Li{sub 2}CO{sub 3} powder, and the yield of the {sup 6}LiF is 86% of the theoretical value. In order to fabricate the stable tile from toxic and irritant LiF powder, the optimum sintering procedure is developed using the LiF powder with naturally abundant {sup 6}Li. The sintering temperature is 720 .deg. C, and the heating rate is 120 .deg. C/h. The preliminary heating process at 500 .deg. C is added in fabricating the {sup 6}LiF tile. The density of fabricated LiF tile is 2.4{approx}2.5 g/cm{sup 3}, and it is above 90% of theoretical density. The density of fabricated {sup 6}LiF tile is 2.25 g/cm{sup 3}, and the neutron transmission rate is below 10{sup -8}, so the thermal neutron transmission is negligible. Therefore, the tile is confirmed to be useful for PGNAA facility.

  2. Electroexcitation of the 0+ (3.562 MeV) level of 6Li and its application to the reaction 6Li(γ,π+)6He

    The M1 form factor for the 0+ (3.562 MeV, T=1) level in 6Li has been measured in the momentum transfer range q=0.26-1.15 fm-1. The radiative width is found to be GAMMAsub(γ0)=8.16+-0.19eV by extrapolation to the photon point. Phenomenological configuration amplitudes have been obtained for the ground and 3.562 MeV level, and it is shown that the 1p harmonic oscillator radial wave functions do not give a good description of the inelastic form factor. The results have been applied to the reaction 6Li(γ,π+)6He near threshold. The theoretical cross section is 24% higher than the data. The muon capture rate in 6Li and Fsub(A)(0) are also evaluated. (Auth.)

  3. Direct measurement of the spin-dependent capture and scattering of slow neutrons by 6Li

    The spin-dependent capture cross section sigma/sup c//sub +/-sigma/sup c//sub -/ of slow neutrons (lambda = 1.074 A) by 6Li has been determined from the flipping ratio of a transmitted polarized neutron beam as a function of 6Li polarization. We used two methods, one of which also enabled us to measure the spin-dependent scattering length b/sub +/-b/sub -/ of 6Li. We find sigma/sub +//sup c/-sigma/sub -//sup c/ = -1170 +- 50 b and b/sub +/-b/sub -/ = (-0.38 +- 0.05) x 10-12 cm

  4. Spin-dipole excitations of 6Li in charged pion photoproduction

    In the framework of bound shell model the photoproduction cross sections of charged pions on 6Li are calculated when spin-isospin dipole resonance is excited. It is shown that the transition strenqth concentrates in several energy regions. Such a gross-structure of the excitation spectrum is gaverned by the confiqurational splittinq of the resonance. The excitation spectrum in 6Li(γ, π)-reaction is compared with the 6Li(π, γ), (e, e') and (n, p) reaction spe;tra where spin-isospin transitions are dominating too

  5. Effect of the breakup process on the direct reaction with a 6Li projectile

    We investigate the effect of the breakup process on the direct reaction (DR) for 6Li. In order to study this effect, we introduce the experimental and semiexperimental ratio factors Rexpt and Rth by using the semiexperimental and experimental α-production cross sections and DR cross sections. The average values of the ratio Rexpt (Rth) for the 6Li+208Pb and 6Li+209Bi systems are 0.90 (0.91) and 0.86 (0.85), respectively. From these results, it can be seen that the α-production cross sections are the main contribution to the DR cross sections.

  6. Ultra-low temperature MAS-DNP

    Lee, Daniel; Bouleau, Eric; Saint-Bonnet, Pierre; Hediger, Sabine; De Paëpe, Gaël

    2016-03-01

    Since the infancy of NMR spectroscopy, sensitivity and resolution have been the limiting factors of the technique. Regular essential developments on this front have led to the widely applicable, versatile, and powerful spectroscopy that we know today. However, the Holy Grail of ultimate sensitivity and resolution is not yet reached, and technical improvements are still ongoing. Hence, high-field dynamic nuclear polarization (DNP) making use of high-frequency, high-power microwave irradiation of electron spins has become very promising in combination with magic angle sample spinning (MAS) solid-state NMR experiments. This is because it leads to a transfer of the much larger polarization of these electron spins under suitable irradiation to surrounding nuclei, greatly increasing NMR sensitivity. Currently, this boom in MAS-DNP is mainly performed at minimum sample temperatures of about 100 K, using cold nitrogen gas to pneumatically spin and cool the sample. This Perspective deals with the desire to improve further the sensitivity and resolution by providing "ultra"-low temperatures for MAS-DNP, using cryogenic helium gas. Different designs on how this technological challenge has been overcome are described. It is shown that stable and fast spinning can be attained for sample temperatures down to 30 K using a large cryostat developed in our laboratory. Using this cryostat to cool a closed-loop of helium gas brings the additional advantage of sample spinning frequencies that can greatly surpass those achievable with nitrogen gas, due to the differing fluidic properties of these two gases. It is shown that using ultra-low temperatures for MAS-DNP results in substantial experimental sensitivity enhancements and according time-savings. Access to this temperature range is demonstrated to be both viable and highly pertinent.

  7. Diffraction proton scattering on 6Li nucleus and its cluster structure

    Elastic and inelastic scattering of 600 and 1040 MeV protons on 6Li nucleus without suggesting equality of pp-and pn-amplitudes of elastic scattering are investigated within the frames of diffraction approximation. Parameters of 6Li nucleus wave functions, parameters of amplitude of elastic NN scattering at given proton energies are given, differential cross sections of elastic and inelastic proton scattering with excitation of 3+ level for four types of 6Li wave functions are presented graphically. It is obvious from the given calculations that none of the simplest 6Li wave functions can explain the present experimental data. The whole complex of experimental data on elastic and inelastic proton scattering cannot be explained within the frames of a simple αd cluster model using known at present sets of parameters of elastic NN scattering amplitude

  8. Effects of nuclear breakup channel on fusion of 6Li+64Zn system around barrier energies

    We have studied the effects of breakup, occurring due to the nuclear interaction between weakly bound 6Li and tightly bound 64Zn isotopes, on the fusion reaction at near barrier energies within the framework of dynamic polarization potential (DPP) approach. When the nuclear induced dynamic polarization potential is taken into account sub barrier enhancement and above barrier suppression have been found which improves the matching between the fusion excitation function data and predictions for 6Li+64Zn system significantly. (author)

  9. Multi-particle correlation effect at intermediate-energy proton scattering by 6Li

    In the framework of the Glauber-Sitenko theory study is made of the elastic proton scattering by 6Li at the energy of 0.6 and 1.04 GeV using the realistic phenomenological wave functions for different sets of parameters of the elastic scattering NN-amplitudes. An essential cross-sections on a form of the 6Li wave function is shown

  10. Lines in the spectrum of 6LiH (2985--5158 A)

    The emission spectra of the A1Σ+--X1Σ+ bands of 6LiH were photographed in the 2985 - 5158 A region with a 3.4 meter Ebert Spectrograph of theoretical resolution of about 0.07 cm-1. High-purity 6LiH crystals were obtained from Oak Ridge National Laboratory. The atomic percent of 6Li in 6LiH was 95.58 percent. The discharge source was a demountable stainless steel hollow cathode lamp. The lithium hydride crystals were packed into the cathode. Pressure in the discharge tube was about 10 to 20 torr of H2. The disharge was run at about 600 volts and 1.25 to 1.75 amperes. Acceptable spectra were obtained with exposure time of 6 hours. A Westinghouse iron hollow cathode was used to produce the iron spectrum for calibration. The plates were measured on the Gaertner photoplate comparator with an encoder system and on-line computer service at Argonne National Laboratory. The measured lines in the spectra of 6LiH are given in this report (COO-2326-17). Similar spectra for 6LiD and 7LiH are given in companion reports (COO-2326-18) and (COO-2326-19), respectively. The relative intensities of the lines are applicable only to short regions and do not extend over the whole spectrum

  11. Lines in the spectrum of 6LiD (3086--5156 A)

    The emission spectra of A1Σ+--X1Σ+ bands of 6LiD were photographed in the 3086 A - 5156 A region with a 3.4 meter Ebert Spectrograph of theoretical resolution of about 0.07 cm-1. High-purity 6LiD crystals were obtained from Oak Ridge National Laboratory. The atomic percent of 6Li in 6LiD was 95.58 percent. The discharge source is a demountable stainless steel hollow cathode lamp. The lithium deuteride crystals were packed into the cathode. Pressure in the discharge tube was about 10 to 20 torr of D2. The discharge was run at about 600 volts and 1.25 to 1.75 amperes. Acceptable spectra were obtained with exposure time of 6 hours. A Westinghouse iron hollow cathode was used to produce the iron spectrum for calibration. The plates were measured on the Gaertner photoplate comparator with an encoder system and on-line computer service at Argonne National Laboratory. The measured lines in the spectra of 6LiD are given in this report (COO-2326-18). Similar spectra for 6LiH and 7LiH are given in companion reports (COO-2326-17) and (COO-2326-19), respectively. The relative intensities of the lines are applicable only to short regions and do not extend over the whole spectrum

  12. 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

    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.

  13. Global optical model potentials for symmetrical lithium systems: 6Li+6Li, 7Li+7Li at Elab = 5-40 MeV

    Angular distributions of 6Li+6Li elastic scattering were measured for Elab=5-40 MeV. An optical model analysis of these data together with older data of 7Li+7Li elastic scattering taken at Elab = 8-17 MeV was performed with the aim to search for a ''global'' OM potential which describes elastic scattering in both Li-Li systems in a broad energy range. Both surface and volume absorbing potentials can be found which fulfill this requirement if a linear energy dependence is assumed of the depths of the real as well as the imaginary potential. These depths, if fitted to individual angular distributions, are found to vary in a correlated manner with the beam energy. This is taken as indication of strong coupling between elastic, inelastic, and reaction channels. This is corroborated by the existence of resonances in reaction channels at these energies where the potential depths are most pronouncedly changing. (orig.)

  14. Electroexcitation of 6Li with application to the reactions 6Li(π-,γ)/sub 1s/ 6He(0+,2+)

    The transverse form factor for the 5.37 MeV(2+,T=1) level of 6Li is analyzed in terms of a phenomenological model to give the configuration amplitudes and transition density. Radiative pion capture rates for the 1s atomic orbital of 6Li leading to the two lowest states of 6He are estimated using the phenomenological functions. The radiative pion capture rate to 6He(g.s.) agrees with experiment, but the rate to 6He(2+,1.8 MeV) is larger than the measured value. It is shown that if the longitudinal form factor is small at q approx. = m/sub π/, the transverse 5.37 MeV form factor gives the radiative pion capture matrix elements directly. As part of this study, the C2 form factor was measured near q=m/sub π/, and its implications on the wave functions are considered

  15. Determining the 6Li Doped Side of a Glass Scintillator for Ultra Cold Neutrons

    Jamieson, Blair

    2015-01-01

    Ultracold neutron (UCN) detectors using two visually very similar, to the microscopic level, pieces of optically contacted Cerium doped lithium glasses have been proposed for high rate UCN experiments. The chief difference between the two glass scintillators is that one side is 6Li depleted and the other side Li doped. This note outlines a method to determine which side of the glass stack is doped with 6Li using AmBe and 252Cf neutron sources, and a Si surface barrier detector. The method sees an excess of events around the alpha and triton energies of neutron capture on 6Li when the enriched side is facing the Si surface barrier detector.

  16. Effect of nucleon momentum inside cluster nuclei 6Li and 6He

    6Li and 6He are cluster nuclei including a tightly bound alpha (4He) core surrounded by two loosely bound nucleons. The One-Nucleon Exchange (ONE) process in p(6He, 4He+n)d and p(6Li, 4He+p)d reactions has been measured for the first time in inverse kinematics to study nucleon-nucleon correlations at rather short range of two nucleon system in 6He and 6Li. In frame of this work we are concentrated in analyzing the effect of Fermi nucleon momentum inside two these nuclei on kinematics of the ONE reaction mentioned above via calculation and measurement for angular distribution of the emitted alpha particles with respect to the beam direction. (author)

  17. Study of direct and sequential break-up reactions in 6Li+ 112Sn system

    The 6Li projectile while moving in the field of a target nucleus can not only dissociate into α+d but it can also first exchange a few nucleon with the target and then break up into two fragments. Identification of all these processes is important to understand the break-up mechanism of 6Li projectile and also to find the origin of the high yield of alpha particle production in such a reaction. In this paper, we present the exclusive measurement of breakup cross sections in 6Li+112Sn reaction exploring the above possibilities. Cross sections for both sequential as well as direct breakup are measured and compared with the theoretical calculations. The measured elastic scattering angular distributions were used as a constraint to the potential parameters that were used in the calculations to explain both elastic scattering and the breakup processes simultaneously

  18. Properties of 4He and 6Li with improved chiral EFT interactions

    Maris, P.; Binder, S.; Calci, A.; Epelbaum, E.; Furnstahl, R. J.; Golak, J.; Hebeler, K.; Kamada, H.; Krebs, H.; Langhammer, J.; Liebig, S.; Meißner, U.-G.; Minossi, D.; Nogga, A.; Potter, H.; Roth, R.; Skibiński, R.; Topolnicki, K.; Vary, J. P.; Witala, H.

    2016-03-01

    We present recent results for 4He and 6Li obtained with improved NN interactions derived from chiral effective field theory up to N4LO. The many-body calculations are performed order-by-order in the chiral expansion. At N3LO and N4LO additional renormalization using the Similarity Renormalization Group is adopted to improve numerical convergence of the many-body calculations. We discuss results for the ground state energies, as well as the magnetic moment and the low-lying spectrum of 6Li.

  19. Properties of 4He and 6Li with improved chiral EFT interactions

    Maris P.

    2016-01-01

    Full Text Available We present recent results for 4He and 6Li obtained with improved NN interactions derived from chiral effective field theory up to N4LO. The many-body calculations are performed order-by-order in the chiral expansion. At N3LO and N4LO additional renormalization using the Similarity Renormalization Group is adopted to improve numerical convergence of the many-body calculations. We discuss results for the ground state energies, as well as the magnetic moment and the low-lying spectrum of 6Li.

  20. The In Situ Polymerization and Characterization of PA6/LiCl Composites

    Dandan Sun

    2013-01-01

    Full Text Available PA6/LiCl composites were synthesized by in situ anionic polymerization based on the interaction between the inorganic salts and PA6. Sodium hydroxide as initiator and N-acetylcaprolactam as activator were used in the preparation of PA6/LiCl composites with variety of LiCl content. X-ray diffraction (XRD and differential scanning calorimeter (DSC testing results showed that both of degree of crystallinity and melting temperature of the composites were decreased under the influence of LiCl. And the γ crystal phase proportion increased with increasing the LiCl content to appropriate amount.

  1. Role of projectile breakup in {sup 6}He and {sup 6}Li induced fusion reactions around barrier energies

    Kumari, Anju; Kharab, Rajesh, E-mail: kharabrajesh@rediffmail.com

    2015-09-15

    The influence of projectile breakup on fusion cross section for {sup 6}He + {sup 209}Bi, {sup 6}He + {sup 64}Zn, {sup 6}Li + {sup 209}Bi and {sup 6}Li + {sup 64}Zn reactions at near barrier energies is studied within the framework of quantum diffusion approach. The breakup does not affect the fusion induced by {sup 6}He, whereas a significant suppression for {sup 6}Li induced reaction is observed in below barrier energy region.

  2. Magic-angle-spinning NMR studies of zeolite SAPO-5

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

    1988-01-01

    SAPO-5 was synthesized using triethylamine as template. Magic-angle-spinning (MAS) NMR of 1H, 27Al, 29Si and 31P was used to study the silicon incorporation into the framework and the nature of the Brønsted sites. 1H MAS NMR shows two types of bridging hydroxyl groups. 29Si MAS NMR indicates that silicon substitutes mostly for phosphorus and that there is a small amount of crystalline SiO 2 in the zeolite powder.

  3. Basic technology for {sup 6}Li enrichment using an ionic-liquid impregnated organic membrane

    Hoshino, Tsuyoshi, E-mail: hoshino.tsuyoshi@jaea.go.jp [Blanket Irradiation and Analysis Group, Fusion Research and Development Directorate, Japan Atomic Energy Agency, 4002, Narita-cho, Oarai-machi, Higashi Ibaraki-gun, Ibaraki 311-1393 (Japan); Terai, Takayuki [The Institute of Engineering Innovation and Department of Nuclear Engineering and Management School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2011-10-01

    The tritium needed as a fuel for fusion reactors is produced by the neutron capture reaction of lithium-6 ({sup 6}Li) in tritium breeding materials. However, natural Li contains only about 7.6 at.% {sup 6}Li. In this paper, a new lithium isotope separation technique using an ionic-liquid impregnated organic membrane is proposed. In order to separate and concentrate lithium isotopes, only lithium ions are able to move through the membrane by electrodialysis between the cathode and the anode in lithium solutions. Preliminary experiments of lithium isotope separation were conducted using this phenomenon. Organic membranes impregnated with TMPA-TFSI and PP13-TFSI as ionic liquids were prepared, and the relationship between the {sup 6}Li separation coefficient and the applied electrodialytic conditions was evaluated using them. The results showed that the {sup 6}Li isotope separation coefficient in this method (about 1.1-1.4) was larger than that in the mercury amalgam method (about 1.06).

  4. Optical model studies of 6Li elastic scattering at 156 MeV

    Differential cross sections for 6Li elastic scattering at 156 MeV from 12C, 40Ca 90Zr and 208Pb are presented. The sensitivity to various potential forms is established by using Saxon Woods, Saxon-Woods-squred, density independent and density dependent folded potentials. The extent to which the experimental data determine the potentials and related quantities is discussed. (orig.)

  5. Primordial α +d →6Li+γ reaction and second lithium puzzle

    Mukhamedzhanov, A. M.; Shubhchintak, Bertulani, C. A.

    2016-04-01

    During the Big Bang, 6Li was synthesized via the 2H(α ,γ ) 6Li reaction. After almost 25 years of the failed attempts to measure the 2H(α ,γ ) 6Li reaction in the laboratory at Big Bang energies, just recently the LUNA Collaboration presented the first successful measurements at two different Big Bang energies [Anders et al., Phys. Rev. Lett. 113, 042501 (2014), 10.1103/PhysRevLett.113.042501]. In this paper we will discuss how to improve the accuracy of the direct experiment. To this end the photon's angular distribution is calculated in the potential model. It contains contributions from electric dipole and quadrupole transitions and their interference, which dramatically changes the photon's angular distribution. The calculated distributions at different Big Bang energies have a single peak at ˜50∘ . These calculations provide the best kinematic conditions to measure the 2H(α ,γ ) 6Li reaction. The expressions for the total cross section and astrophysical factor are also derived by integrating the differential cross section over the photon's solid angle. The LUNA data are in excellent agreement with our calculations using a potential approach combined with a well established asymptotic normalization coefficient for 6Li→α +d . Comparisons of the available experimental data for the S24 astrophysical factor and different calculations are presented. The Big Bang lithium isotopic ratio 6Li/7Li=(1.5 ±0.3 ) ×10-5 following from the LUNA data and the present analysis are discussed in the context of the disagreement between the observational data and the standard Big Bang model, which constitutes the second lithium problem.

  6. Nuclear reactions of the system {sup 6} Li on {sup 58} Ni near the Coulomb barrier; Reacciones nucleares del sistema {sup 6} Li sobre {sup 58} Ni cerca de la barrera de Coulomb

    Lizcano, D.; Aguilera, E.F.; Garcia M, H.; Martinez Q, E. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

    2004-07-01

    Protons, alpha particles and deuterons coming from the reactions {sup 6} Li + {sup 58} Ni are detected to three different energy around the Coulomb barrier. The possible effects of the weakly bound character of the projectile are studied and the results are compared with previous data for the system {sup 6} Li + {sup 59} Co. (Author)

  7. Gamow shell model description of radiative capture reactions $^6$Li$(p,\\gamma)$$^7$Be and $^6$Li$(n,\\gamma)$$^7$Li

    Dong, G X; Fossez, K; Płoszajczak, M; Jaganathen, Y; Betan, R M Id

    2016-01-01

    According to standard stellar evolution, lithium abundance is believed to be a useful indicator of the stellar age. However, many evolved stars like red giants show huge fluctuations around expected theoretical abundances that are not yet fully understood. The better knowledge of nuclear reactions that contribute to the creation and destruction of lithium can help to solve this puzzle. In this work we apply the Gamow shell model (GSM) formulated in the coupled-channel representation (GSM-CC) to investigate the mirror radiative capture reactions $^6$Li$(p,\\gamma)$$^7$Be and $^6$Li$(n,\\gamma)$$^7$Li. The cross-sections are calculated using a translationally invariant Hamiltonian with the finite-range interaction which is adjusted to reproduce spectra, binding energies and one-nucleon separation energies in $^{6-7}$Li, $^7$Be. All relevant $E1$, $M1$, and $E2$ transitions from the initial continuum states to the final bound states $J={3/2}_1^-$ and $J={1/2}^-$ of $^7$Li and $^7$Be are included. We demonstrate th...

  8. First direct measurement of the 2H(α,γ)6Li cross section at Big Bang energies at LUNA

    The amount of 6Li produced during the Big Bang Nucleosynthesis (BBN) era can be theoretically estimated on the basis of cosmological and nuclear astrophysics knowledge. The latter strongly depends on the measurement of the nuclear cross section of the processes involved in the production and destruction of 6Li during the first stages of the Universe. Whereas the destruction process cross sections are well known, the reaction that dominates the 6Li production, the 2H(α,γ)6Li, has never been directly measured in the BBN energy range and only upper limits coming from indirect measurements are available till now. Here we report the first direct measurement of the 2H(α,γ)6Li cross section at BBN energies obtained at LUNA (Laboratory for Underground Nuclear Astrophysics, LNGS, Italy). (author)

  9. Impact of structural differences in carcinopreventive agents indole-3-carbinol and 3,3'-diindolylmethane on biological activity. An X-ray, ¹H-¹⁴N NQDR, ¹³C CP/MAS NMR, and periodic hybrid DFT study.

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Szafrański, Marek; Seliger, Janez; Žagar, Veselko; Burchardt, Dorota V

    2015-09-18

    Three experimental techniques (1)H-(14)N NQDR, (13)C CP/MAS NMR and X-ray and Density Functional Theory (GGA/BLYP with PBC) and Hirshfeld surfaces were applied for the structure-activity oriented studies of two phyto-antioxidants and anticarcinogens: indole-3-carbinol, I3C, and 3,3'-diindolylmethane, DIM, (its bioactive metabolite). One set of (14)N NQR frequencies for DIM (2.310, 2.200 and 0.110 MHz at 295K) and I3C (2.315, 1.985 and 0.330 MHz at 160K) was recorded. The multiplicity of NQR lines recorded at RT revealed high symmetry (chemical and physical equivalence) of both methyl indazole rings of DIM. Carbonyl (13)C CSA tensor components were calculated from the (13)C CP/MAS solid state NMR spectrum of I3C recorded under fast and slow spinning. At room temperature the crystal structure of I3C is orthorhombic: space group Pca21, Z=4, a=5.78922(16), b=15.6434(7) and c=8.4405(2)Å. The I3C molecules are aggregated into ribbons stacked along [001]. The oxygen atomsare disorderedbetween the two sites of different occupancy factors. It implies that the crystal is built of about 70% trans and 30% gauche conformers, and apart from the weak OH⋯O hydrogen bonds (O⋯O=3.106Å) the formation of alternative O'H⋯O bonds (O'⋯O=2.785Å) is possible within the 1D ribbons. The adjacent ribbons are further stabilised by O'H⋯O bonds (O'⋯O=2.951Å). The analysis of spectra and intermolecular interactions pattern by experimental techniques was supported by solid (periodic) DFT calculations. The knowledge of the topology and competition of the interactions in crystalline state shed some light on the preferred conformations of CH2OH in I3C and steric hindrance of methyl indole rings in DIM. A comparison of the local environment in gas phase and solid permitted drawing some conclusions on the nature of the interactions required for effective processes of recognition and binding of a given anticarcinogen to the protein or nucleic acid. PMID:26066413

  10. Thermal neutron detection using a silicon pad detector and 6LiF removable converters

    A semiconductor detector coupled with a neutron converter is a good candidate for neutron detection, especially for its compactness and reliability if compared with other devices, such as 3He tubes, even though its intrinsic efficiency is rather lower. In this paper we show a neutron detector design consisting of a 3 cm × 3 cm silicon pad detector coupled with one or two external 6LiF layers, enriched in 6Li at 95%, placed in contact with the Si active surfaces. This prototype, first characterized and tested at INFN Laboratori Nazionali del Sud and then at JRC Ispra, was successfully shown to detect thermal neutrons with the expected efficiency and an outstanding gamma rejection capability.

  11. Measurement of the 1H(6He,6Li)n reaction in inverse kinematics

    The 1H(6He,6Li)n reaction was studied at 0 degree with the NSCL A1200 fragment separator in the energy loss mode. A 6He secondary beam at E/A=93 MeV was used to measure the Gamow-Teller and Fermi strengths between the ground state of 6He and the ground and excited states of 6Li, in inverse kinematics. At 0 degree the ground-state cross section is measured to be dσGS/(dΩ)=43±16 mb/sr, which is dominated by systematic error in the secondary beam flux. The ratio of Gamow-Teller to Fermi strength is not sensitive to this error and is found to be (87±6)% of that expected from (p,n) systematics and β decay. Angular distributions have been measured between 0 degree and 10 degree in the center of mass. copyright 1996 The American Physical Society

  12. Effect of target deformation and projectile breakup in complete fusion of 6Li + 152Sm

    Nuclear reaction induced by weakly bound (stable or radioactive) nuclei is a subject of current experimental and theoretical interest. Measurements of fusion cross section involving loosely bound projectile 6Li and 9Be exist with different conclusion about the enhancement or suppression of fusion cross section. Recently we have measured the fusion cross section for 6Li + 144Sm, where it has been found that there is an enhancement of fusion cross section below the barrier in comparison with single BPM calculation, where as there is an overall suppression in fusion cross section as compared to CCFULL calculation in the entire energy range measured. With this motivation, we chose a deformed target, 152Sm, with β2 = 0.24 to compare with the results of 144Sm which is a spherical target. It will also be interesting to see effect of target deformation (enhancement) versus projectile breakup (suppression) specially at subbarrier energy

  13. Investigation of the reaction D(4He, γ)6Li at ultralow energies

    Burkatovskaya, Yu. B.; Bystritsky, V. M.; Dudkin, G. N.; Krylov, A. R.; Lysakov, A. S.; Gazi, S.; Huran, J.; Nechaev, B. A.; Padalko, V. N.; Sadovsky, A. B.; Tuleushev, Yu. G.; Filipowicz, M.; Philippov, A. V.

    2016-03-01

    The cross section of the reaction D(4He, γ)6Li with titanium and zirconium deuterides as targets is measured for incident 4He+ ion energies of 30 and 36 keV, respectively. The ion beam is generated by a Hall pulsed plasma accelerator. For the first time, upper limits on the cross section of the reaction D(4He, γ)6Li at ultralow energies are imposed (at 90% confidence level): σ ≤ 1.2 × 10-35 cm2 for the TiD2 target and E(4He+) = 30 keV, and σ ≤ 7 × 10-36 cm2 for the ZrD2 target and E(4He+) = 36 keV

  14. Neutron assay in mixed radiation fields with a 6Li-loaded plastic scintillator

    A novel technique for assay of thermal and fast neutrons in a 6Li-loaded plastic scintillator is presented. Existing capture-gated thermal neutron detection techniques were evaluated with the 6Li-loaded plastic scintillator studied in this work. Using simulations and experimental work, shortcomings in its performance were highlighted. As a result, it was proposed that by separating the combined fast and thermal neutron events from gamma events, using established pulse shape discrimination techniques, the thermal neutron events could then be assayed. Experiments were conducted at the National Physical Laboratory, Teddington, performing neutron assays with seven different neutron fields using the proposed technique. For each field, thermal and fast neutron content was estimated and were shown to corroborate with the seven synthesised fields

  15. Enhancement of the CP-odd effect in the nuclear electric dipole moment of $^6$Li

    Yamanaka, Nodoka

    2015-01-01

    We calculate for the first time the electric dipole moment (EDM) of the $^6$Li nucleus within the alpha + p + n three-body cluster model using the Gaussian expansion method, assuming the one meson exchange P, CP-odd nuclear forces. It is found that the EDM of the $^6$Li is 2 times more sensitive on the isovector pion exchange P, CP-odd nuclear force than the deuteron EDM, due to the CP-odd interaction between the nucleons and the alpha cluster. The $^9$Be EDM is also calculated in the same framework as an alpha + alpha + n three-body system. We also test the ab initio calculation of the EDM of the deuteron, $^3$H and $^3$He nuclei using the realistic Argonne $v18$ nuclear force. In the ab initio calculations, good agreements with previous studies are obtained. We finally discuss the prospects for the new physics beyond the standard model.

  16. Electron-scattering form factors for 6Li in the ab initio symmetry-guided framework

    Dytrych, T; Launey, K D; Draayer, J P; Maris, P; Vary, J P; Langr, D; Oberhuber, T

    2015-01-01

    We present an ab initio symmetry-adapted no-core shell-model description for $^{6}$Li. We study the structure of the ground state of $^{6}$Li and the impact of the symmetry-guided space selection on the charge density components for this state in momentum space, including the effect of higher shells. We accomplish this by investigating the electron scattering charge form factor for momentum transfers up to $q \\sim 4$ fm$^{-1}$. We demonstrate that this symmetry-adapted framework can achieve significantly reduced dimensions for equivalent large shell-model spaces while retaining the accuracy of the form factor for any momentum transfer. These new results confirm the previous outcomes for selected spectroscopy observables in light nuclei, such as binding energies, excitation energies, electromagnetic moments, E2 and M1 reduced transition probabilities, as well as point-nucleon matter rms radii.

  17. The 6Li(γ,p) reaction at intermediate photon energies

    The 6Li(γ,p) reaction was measured at average tagged photon energies of left angle Eγ right angle =59 and 75 MeV. Protons were detected at 5 different angles between 30 circle and 150 circle. Most of the observed strength is apparently due to the three-body breakup channels. In particular the semi-inclusive (γ,p(n)) and (γ,p(t)) channels are discussed. ((orig.))

  18. Fusion and nonfusion phenomena in the 6Li+40Ca reaction at 156 MeV

    Reaction products from 6Li-induced reactions on 40Ca at 156 MeV have been studied using the dE x E identification as well as the inclusive γ-ray method. The complete fusion cross-section has been found to be σsub(f)=(77 +- 11)mb. The Z distribution of fusion evaporation residues is compared with statistical model predictions. The Z spectrum of reaction products shows a maximum at 156Li break-up. (author)

  19. Investigation of the selection of the selectively heated ions of 6Li isotope from lithium plasma

    Results of experiments on preparation of enriched lithium by means of plasma isotope separation method using ion cyclotron resonance (ICR) are presented. Two types of collectors were compared: cylindrical and plane ones. Both collectors were placed just as in homogeneous magnetic field immediately after the zone of selective ICR heating, so in diverging weakened one, closer to solenoid end. In cylindrical collector higher lithium enrichment by 6Li (up to 83 %) is observed. That corresponds to distribution coefficient ≅60

  20. Formation of eta'(958) Meson Bound States by the 6Li(gamma,d) reaction

    Miyatani, M; Nagahiro, H; Hirenzaki, S

    2016-01-01

    We have investigated the 6Li(gamma,d) reaction theoretically for the formation of the eta'(958) mesic nucleus close to the recoilless kinematics. We have developed the theoretical formula and reported the quantitative results of the formation spectra for various cases in this article. We have found that the formation cross sections are reduced by the effects of the fragile deuteron form factor.

  1. BEC of 41 K in a Fermi sea of 6 Li

    Lous, Rianne S.; Fritsche, Isabella; Huang, Bo; Jag, Michael; Cetina, Marko; Walraven, Jook T. M.; Grimm, Rudolf

    2016-05-01

    We report on the production of a 41 K Bose-Einstein condensate (BEC) immersed in a degenerate two-component 6 Li Fermi sea. After evaporation in an optical dipole trap, we obtain 1 . 2 ×104 41 K atoms with a 55% BEC fraction and a Fermi sea with T /TF work is supported by the Austrian Science Fund FWF within the collaborative research grant FoQuS.

  2. Measurement of interaction energy near a Feshbach resonance in a 6Li Fermi gas

    Bourdel, T; Cubizolles, J.; Khaykovich, L.; Magalhaes, K. M. F.; Kokkelmans, S. J. J. M. F.; G. V. Shlyapnikov; Salomon, C

    2003-01-01

    We investigate the strongly interacting regime in an optically trapped $^6$Li Fermi mixture near a Feshbach resonance. The resonance is found at $800(40) $G in good agreement with theory. Anisotropic expansion of the gas is interpreted by collisional hydrodynamics. We observe an unexpected and large shift ($80 $G) between the resonance peak and both the maximum of atom loss and the change of sign of the interaction energy.

  3. Development of a mini high efficiency neutron detector based on 6LiI (Eu) scintillator

    A mini neutron detector with the dimension of φ25 mm ×20 mm is developed based on a 6LiI( Eu) scintillator with a Hamamatsu S3590-08 photodiode. The detector was used to detect thermal neutrons from a paraffin shielded 252Cf neutron source and the detect efficiency to thermal neutron was calculated to be 95% with a resolution of thermal neutron peak about 16%. (authors)

  4. Understanding the effect of channel coupling on fusion of 6Li+64Ni

    Moin Shaikh, Md.; Roy, Subinit

    2016-07-01

    The effect of inelastic excitation and single particle transfer reactions on fusion have been investigated for the system 6Li+64Ni at near barrier energies. The calculations show that a simultaneous coupling to the inelastic excitation of projectile and target along with positive Q-value 1n- and 1p-stripping channels, describes the experimental CF cross sections reasonably well in the below barrier region.

  5. E/Z MAS demonstration

    Los Alamos National Laboratory has developed E/Z MAS, a new generation nuclear material accountability application based on the latest technology and designed for facilities required to track nuclear materials with a simple-to-use interface. E/Z MAS is based on years of experience spent developing nuclear material accounting systems. E/Z MAS uses a modern relational database with a web server and enables users on a classified local area network to interact with the database with web browsers. The E/Z MAS Demonstration poster session demonstrates the E/Z MAS functions required by an operational nuclear facility to track material as it enters and leaves a facility and to account for the material as it moves through a process. The generation of internal facility reports and external reports for the Russian Federal system will be demonstrated. Bar-code readers will be used to demonstrate the ability of EZ MAS to automate certain functions, such as physical inventories at facilities

  6. THE NEW DETECTIONS OF 7Li/6Li ISOTOPIC RATIO IN THE INTERSTELLAR MEDIA

    We have determined the isotopic abundance ratio of 7Li/6Li in the interstellar media (ISMs) along lines of sight to HD169454 and HD250290 using the High-Dispersion Spectrograph on the Subaru Telescope. We also observed ζ Oph for comparison with previous data. The observed abundance ratios were 7Li/6Li = 8.1+3.6-1.8 and 6.3+3.0-1.7 for HD169454 and HD250290, respectively. These values are in reasonable agreement with those observed previously in the solar neighborhood ISMs within ±2σ error bars and are also consistent with our measurement of 7Li/6Li = 7.1+2.9-1.6 for a cloud along the line of sight to ζ Oph. This is good evidence for homogeneous mixing and instantaneous recycling of the gas component in the Galactic disk. We also discuss several source compositions of 7Li, Galactic cosmic-ray interactions, stellar nucleosynthesis, and big bang nucleosynthesis.

  7. Enhanced cosmological 6Li abundance as a potential signature of residual dark matter annihilations

    Residual late-time dark matter particle annihilations during and after big-bang nucleosynthesis may alter the predicted cosmological abundances of the light elements. Within the constrained minimal supersymmetric extension of the standard model with a neutralino as the lightest supersymmetric particle, we find negligible effects on the abundances of deuterium, 3He, 4He, and 7Li predicted by homogeneous big-bang nucleosynthesis, but potentially a large enhancement in the predicted abundance of 6Li. This enhancement may be as much as 2 orders of magnitude in the focus-point WMAP strip and in the coannihilation and funnel regions for large tanβ for small m1/2, and the effect is still significant at large m1/2. However, the potential 6Li enhancement is negligible in the part of the coannihilation strip for tanβ=10 that survives the latest LHC constraints. A similar enhancement of the 6Li abundance may also be found in a model with common, nonuniversal Higgs masses (the NUHM1).

  8. Unified description of ^{6}Li structure and deuterium-^{4}He dynamics with chiral two- and three-nucleon forces.

    Hupin, Guillaume; Quaglioni, Sofia; Navrátil, Petr

    2015-05-29

    We provide a unified ab initio description of the ^{6}Li ground state and elastic scattering of deuterium (d) on ^{4}He (α) using two- and three-nucleon forces from chiral effective field theory. We analyze the influence of the three-nucleon force and reveal the role of continuum degrees of freedom in shaping the low-lying spectrum of ^{6}Li. The calculation reproduces the empirical binding energy of ^{6}Li, yielding an asymptotic D- to S-state ratio of the ^{6}Li wave function in the d+α configuration of -0.027, in agreement with a determination from ^{6}Li-^{4}He elastic scattering, but overestimates the excitation energy of the 3^{+} state by 350 keV. The bulk of the computed differential cross section is in good agreement with data. These results endorse the application of the present approach to the evaluation of the ^{2}H(α,γ)^{6}Li radiative capture, responsible for the big-bang nucleosynthesis of ^{6}Li. PMID:26066431

  9. Elastic break-up of 156 MeV 6Li projectiles with large asymptotic relative momenta of the fragments

    The triple differential cross sections for elastic break-up of 156 MeV 6Li projectiles by the reactions 208Pb (6Li, ad) 208Pbg.s., and 12C (6Li, ad) 12Cg.s. have been measured with large asymptotic relative momenta of the outgoing fragments. The data exhibit rather unfamiliar shapes of the energy spectra, often replacing the usual bell-shape distributions by double-peaked structures and varying rapidly with the relative emission angles. The origin of these features has been explored and the cross sections have been analysed on the basis of a diffractive disintegration approach. (orig.)

  10. Triple-differential cross section of the 208Pb(6Li, αd)208 Pb Coulomb breakup and astrophysical S-factor of the d(α,γ)6 Li reaction at extremely low energies

    A method of calculation of the triple-differential cross section of the 208Pb(6Li, αd)208Pb Coulomb breakup at astrophysically relevant energies E of the relative motion of the breakup fragments, taking into account the three-body (α - d - 208Pb) Coulomb effects and the contributions from the E1- and E2- multipoles, including their interference, has been proposed. The new results for the astrophysical S-factor of the direct radiative capture d(α, γ)6 Li reaction at E ≤ 250 keV have been obtained. It is shown that the experimental triple-differential cross section of the 208Pb(6Li, αd)208Pb Coulomb breakup can also be used to give information about the value of the modulus squared of the nuclear vertex constant for the virtual 6Li → α + d. (author)

  11. Big Bang nucleosynthesis and the results of the 2H(α,γ)6Li experiment at LUNA

    Observations of the 6Li abundance in very metal-poor stars, if confirmed, show a level of 6Li that is several orders of magnitude larger than the production of this nuclide in standard Big Bang nucleosynthesis. The 2H(α,γ)6Li nuclear reaction is believed to dominate 6Li production in the Big Bang, but there are no directly measured data at relevant energies yet. The reaction has been studied at the LUNA 0.4 MV accelerator, deep underground in the Gran Sasso laboratory in Italy, using an intensive He+ beam and a windowless deuterium gas target. The conclusions from the final data analysis of the experiment are presented.

  12. Comparison of Thermal Neutron Detection Efficiency of $^{6}$Li Scintillation Glass and $^{3}$He Gas Proportional Tube

    Xu, Ming; Tang, Zhi-Cheng; Chen, Guo-Ming; Tao, Jun-Quan

    2013-01-01

    We report on a comparison study of the $^{3}$He gas proportional tube and the $^{6}$Li incorporated scintillation glasses on thermal neutron detection efficiency. Both $^{3}$He and $^{6}$Li are used commonly for thermal neutron detection because of their high neutron capture absorption coefficient. By using a neutron source $^{252}$Cf and a paraffin moderator in an alignment system, we can get a small beam of thermal neutrons. A flash ADC is used to measure the thermal neutron spectrum of eac...

  13. Study of the 6Li + p → 3He + 4He reaction in inverse kinematics

    Angular distribution measurements were performed for the 6Li + p → 3He + 4He reaction in inverse kinematics at incident energies of 2.7, 3.3, 4.2 and 4.8 MeV/u. The detection of both recoils (3He and 4He) over the laboratory angle range θlab = 16 circle to 34 circle allowed the determination of the angular distribution over a wide angular range in the center-of-mass frame (θc.m. ∝ 40 circle to 140 circle). The results clarify inconsistencies between existing data sets and are consistent with compound nucleus model calculations. (orig.)

  14. Neutron detector based on Particles of 6Li glass scintillator dispersed in organic lightguide matrix

    Most 3He replacement neutron detector technologies today have overlapping neutron–gamma pulse-height distributions, which limits their usefulness and performance. Different techniques are used to mitigate this shortcoming, including Pulse Shape Discrimination (PSD) or threshold settings that suppress all gammas as well as much of the neutrons. As a result, count rates are limited and dead times are high when PSD is used, and the detection efficiency for neutron events is reduced due to the high threshold. This is a problem in most applications where the neutron–gamma separation of 3He detectors had been essential. This challenge is especially severe for neutron coincidence and multiplicity measurements that have numerous conflicting requirements such as high detection efficiency, short die-away time, short dead time, and high stability. 6Li-glass scintillators have excellent light output and a single peak distribution, but they are difficult to implement because of their gamma sensitivity. The idea of reducing the gamma sensitivity of 6Li-glass scintillators by embedding small glass particles in an organic light-guide medium was first presented by L.M. Bollinger in the early 60s but, to the best of our knowledge, has never been reduced to practice. We present a proof of principle detector design and experimental data that develop this concept to a large-area neutron detector. This is achieved by using a multi-component optical medium (6Li glass particles attached to a glass supporting structure and a mineral oil light guide) which matches the indices of refraction and minimizes the absorption of the 395 nm scintillator light. The detector design comprises a 10 in. long tube with dual end readout with about 3% volume density of 6Li glass particles installed. The presented experimental data with various neutron and gamma sources show the desired wide gap between the neutron and gamma pulse height distributions, resulting in a true plateau in the counting

  15. 16O resonances near 4α threshold through 12C(6Li,d) reaction

    Several narrow alpha resonant 16O states were detected through the 12C(6Li,d) reaction, in the range of 13.5 to 17.5 MeV of excitation energy. The reaction was measured at a bombarding energy of 25.5 MeV employing the São Paulo Pelletron-Enge-Spectrograph facility and the nuclear emulsion technique. Experimental angular distributions associated with natural parity quasi-bound states around the 4α threshold are presented and compared to DWBA predictions. The upper limit for the resonance widths obtained is near the energy resolution (15 keV)

  16. Comparative analysis of pulse shape discrimination methods in a 6Li loaded plastic scintillator

    Three algorithms for discriminating between fast neutrons, thermal neutrons and gamma rays in a 6Li loaded plastic scintillator have been compared. Following a literature review of existing pulse shape discrimination techniques, the performance of the charge comparison method, triangular filtering and frequency gradient analysis were investigated in this work. The scintillator was exposed to three different mixed gamma/neutron radiation fields. The figure of merit of neutron/gamma separation was investigated over a broad energy range, as well as for the neutron capture energy region. After optimisation, all three methods were found to perform similarly in terms of neutron/gamma separation

  17. Model Calculation of n + 6Li Reactions Below 20 MeV

    ZHANG Jing-Shang; HAN Yin-Lu

    2001-01-01

    Based on the unified Hauser-Feshbach and exciton model for light nuclei, the calculations of reaction cross sections and the double-differential cross sections for n + 6Li are performed. Since all of the first-particle emissions are from the compound nucleus to the discrete levels, the angular momentum coupling effect in pre-equilibrium mechanism must be taken into account. The fitting of the measured data indicates that the three-body break-up process needs to be involved, and the pre-equilibrium reaction mechanism dominates the reaction processes. In light nucleus reactions the recoil effect must be taken into account.``

  18. The scattering of 136 MeV protons from 6Li

    Differential cross sections have been measured for the elastic scattering of 136 MeV protons from 6Li, and for inelastic scattering to the first two excited states. The optical model fit to the elastic scattering differential cross section gave parameters which were retained for the analysis of the two inelastic transitions. The latter differential cross sections were fairly well fitted in shape, but in both cases there is a discrepancy in absolute magnitude of a factor between 1.5 and 4

  19. Elastic scattering for the system {sup 6}Li+p at near barrier energies with MAGNEX

    Soukeras, V.; Pakou, A.; Sgouros, O. [Department of Physics and HINP, The University of Ioannina, 45110 Ioannina (Greece); Cappuzzello, F.; Bondi, M.; Nicolosi, D. [INFN Laboratory Nazionali del Sud, via S. Sofia 62, 95125, Catania, Italy and Dipartimento di Fisica e Astronomia, Universita di Catania, via S. Sofia 64, 95125, Catania (Italy); Acosta, L.; Marquinez-Duran, G.; Martel, I. [Departamento di Fisica Aplicada, Universidad de Huelva, E-21071, Huelva (Spain); Agodi, C.; Carbone, D.; Cavallaro, M.; Cunsolo, A.; Di Pietro, A.; Fernández-García, J. P.; Figuera, P.; Fisichella, M. [INFN Laboratory Nazionali del Sud, via S. Sofia 62, 95125, Catania (Italy); Alamanos, N. [CEA-Saclay, DAPNIA-SPhN, 91191, Gif-sur-Yvette (France); De Napoli, M. [INFN - Sezione di Catania, via S. Sofia 64, 95125, Catania (Italy); Foti, A. [Dipartimento di Fisica e Astronomia, Universita di Catania, via S. Sofia 64, 95125, Catania, Italy and INFN - Sezione di Catania, via S. Sofia 64, 95125, Catania (Italy); and others

    2015-02-24

    Elastic scattering measurements have been performed for the {sup 6}Li+p system in inverse kinematics at the energies of 16, 20, 25 and 29 MeV. The heavy ejectile was detected by the large acceptance MAGNEX spectrometer at the Laboratori Nazionali del Sud (LNS) in Catania, in the angular range between ∼2{sup 0} and 12{sup 0} in the laboratory system, giving us the possibility to span almost a full angular range in the center of mass system. Results will be presented and discussed for one of the energies.

  20. Nuclear Reaction 6Li(n,4He)T as Radiation Source

    Our investigation was based on the reaction 6Li(n,4He)T, most convenient for the generation of high intensity flow of tritons by the use of thermal neutron flux in atomic reactor. This reaction has high cross section (sigma=953 b), practically no threshold, is rather exothermic (Q=4.78 MeV) and kinetic energy of charged particles (Et=2,74 MeV) is sufficient for the penetration through potential barrier of light elements with Z11C, 13N, 18F, 28Mg, 34mCI and more long lived 3H for medical purposes

  1. Neutron detector based on Particles of 6Li glass scintillator dispersed in organic lightguide matrix

    Ianakiev, K. D.; Hehlen, M. P.; Swinhoe, M. T.; Favalli, A.; Iliev, M. L.; Lin, T. C.; Bennett, B. L.; Barker, M. T.

    2015-06-01

    Most 3He replacement neutron detector technologies today have overlapping neutron-gamma pulse-height distributions, which limits their usefulness and performance. Different techniques are used to mitigate this shortcoming, including Pulse Shape Discrimination (PSD) or threshold settings that suppress all gammas as well as much of the neutrons. As a result, count rates are limited and dead times are high when PSD is used, and the detection efficiency for neutron events is reduced due to the high threshold. This is a problem in most applications where the neutron-gamma separation of 3He detectors had been essential. This challenge is especially severe for neutron coincidence and multiplicity measurements that have numerous conflicting requirements such as high detection efficiency, short die-away time, short dead time, and high stability. 6Li-glass scintillators have excellent light output and a single peak distribution, but they are difficult to implement because of their gamma sensitivity. The idea of reducing the gamma sensitivity of 6Li-glass scintillators by embedding small glass particles in an organic light-guide medium was first presented by L.M. Bollinger in the early 60s but, to the best of our knowledge, has never been reduced to practice. We present a proof of principle detector design and experimental data that develop this concept to a large-area neutron detector. This is achieved by using a multi-component optical medium (6Li glass particles attached to a glass supporting structure and a mineral oil light guide) which matches the indices of refraction and minimizes the absorption of the 395 nm scintillator light. The detector design comprises a 10 in. long tube with dual end readout with about 3% volume density of 6Li glass particles installed. The presented experimental data with various neutron and gamma sources show the desired wide gap between the neutron and gamma pulse height distributions, resulting in a true plateau in the counting

  2. Tritium production in a sphere of 6LiD irradiated by 14-MeV neutrons

    The specific production of tritium in samples of 6LiH and 7LiH embedded in a 600-mm-diam sphere of 6LiD irradiated by a central source of 14-MeV neutrons was determined by measuring the activity of the hydrogen evolved from the samples of each isotope at each of five different radii in the 6LiD assembly. The entire process of decomposing the LiH, transferring the evolved gas into counters, and determining the decay rate was standardized by processing LiH samples irradiated by thermal neutrons for which the 6Li(n,α) cross section is well known. The specific production of tritium in 6LiH and 7LiH (embedded samples) and the activation of radiochemical detector foils of 45Sc, 89Y, 90Zr, 169Tm, 191Ir 373, 193Ir 627, 197Au, 235U, and 238U placed at various positions in the 6LiD sphere were calculated and compared with the experimental data. One- and three-dimensional Monte Carlo and S/sub n/ neutron-transport calculations were performed. The most reliable (three-dimensional Monte Carlo) calculation is in reasonable agreement with both the tritium-production and the radiochemical-activation data. The existing discrepancies between calculation and experiment appear largely attributable to uncertainties in some tritium-production and radiochemical-activation cross sections. 15 references

  3. 6Li detection in metal-poor stars: can 3D model atmospheres solve the second lithium problem?

    Steffen, M; Caffau, E; Bonifacio, P; Ludwig, H -G; Spite, M

    2012-01-01

    The presence of 6Li in the atmospheres of metal-poor halo stars is usually inferred from the detection of a subtle extra depression in the red wing of the 7Li doublet line at 670.8 nm. However, the intrinsic line asymmetry caused by convective flows in the photospheres of cool stars is almost indistinguishable from the asymmetry produced by a weak 6Li blend on a (presumed) symmetric 7Li profile. Previous determinations of the 6Li/ 7Li isotopic ratio based on 1D model atmospheres, ignoring the convection-induced line asymmetry, must therefore be considered as upper limits. By comparing synthetic 1D LTE and 3D non-LTE line profiles of the Li 670.8 nm feature, we quantify the differential effect of the convective line asymmetry on the derived 6Li abundance as a function of effective temperature, gravity, and metallicity. As expected, we find that the asymmetry effect systematically reduces the resulting 6Li/7Li ratios. Depending on the stellar parameters, the 3D-1D offset in 6Li/7Li ranges between -0.005 and -0....

  4. Measurement of 6Li(n,α)3H reaction cross section

    The 6Li(n,α)3H reaction cross section was measured at 12 discrete neutron energies between 80 KeV and 470 KeV by using the Oak Ridge Linear Acelerator (ORELA) as a pulsed neutron source. The neutron beam was filtered through 20 cm or 30 cm of Armco iron which produces several monoenergetic energies groups (iron windows) between 20 KeV and 1000 KeV about 2 KeV wide. The (n,α) events were detected by a 1 mm thick Li-glass scintillator and the neutron flux was measured with a NE110 plastic scintillator 6,6 cm thick and 10 cm in diameter. Multiple scattering corrections in the Li-glass and the NE110 scintillator efficiency were determined theoretically by using Monte Carlo technique. The 6Li content in the Li-glasses was determined by transmission measurements with low energy neutrons. A theoretical fit was applied to the results by the R-matrix theory. (Author)

  5. Detection efficiency simulation and measurement of 6LiI/natLiI scintillation detector

    Background: Being of very high detection efficiency and small size, Lithium iodide (LiI) scintillator detector is used extensively in neutron measurement and environmental monitoring. Purpose: Using thermal reactor, neutron detectors will be tested and calibrated. And a new neutron detector device will be designed and studied. Methods: The relationship between the size and detection efficiency of the thermal neutron detector 6LiI/natLil was studied using Monte Carlo code GEANT4 and MCNP5 package, and the thermal neutron efficiency of detector was calibrated by reactor neutrons. Results: The theoretical simulation shows that the thermal neutron detection efficiency of detector of 10-mm thickness is relatively high, the enriched 6Lil is up to 98% and the nature natLiI 65%. The thermal neutron efficiency of detector is calibrated by reactor thermal neutrons. Considering the neutron scattering by the lead brick, high density polythene and environment neutron contribution, the detection efficiency of 6LiI detector is about 90% and natLiI detector 70%. Conclusion: The detector efficiency can reach the efficiency value of theoretical calculations. (authors)

  6. Measuring the absorption mean cross section in 6Li relative to 235U fission

    Due to the fact that the neutron absorption cross section in 6Li is used as one of standards for determinaton of neutron-physical characteristics of fast reactors the ratio of mean cross sections for absorption by 6Li (A6) and 235U fission F25 are experimentalli investigated. The measurements have been performed in the KBR-8, KBR-10,BFS/39/1 bfs-44, BFS/45a-1 and BFS-46 critical assemblies which are characterized by various neutron spectra by means of a lithium counter with semiconductor detectors. Ratios A6/F25 for investigated assemblies constituted respectively 0.605+-0.009; 0.604+-0.004; 0.581+-0.009; 0.590+-0.574+-0.005. The values of 235U diffusion mean cross sections obtained on the base of these fata and calculated using the CRAB-1 program (given in brackets) are equal respectively 1.53+-0.005 (1.51) 2.38+-0.08 (2.42); 1.935+-0.060 (1.95); 1.89+-0.08 (1.95); 1.780+-0.11 (1.69); 1.90+-0.06 (1.89)

  7. Moderator type neutron spectrometer using 6LiF thermoluminescence dosimeter (TLD)

    For epithermal neutron spectroscopy, one of the important problems in neutron and health physics, a few methods have been considered, but each has difficulties, respectively. To overcome these difficulties and obtain the simple and stable detector operation, a moderator type simultaneous multi-detector has been developed, which has 15 6LiF TLD's embedded in polyethylene moderator. (It is called Filter Transmission Detector (FTD) by the author.) This gives 15 simultaneous data, different in moderating filter sensitivity. Also, the dynamic range of measurement can be large, and the perturbation in the moderator by the detectors can be made small. The paper first describes on the characteristics of 6LiF TLD, then gives the specifications of FTD and reports on the calculated results of response function. In the measurement using a 252Cf neutron source, the spatial distribution of reactivity composed from the response functions and neutron spectra comparatively well agreed with the experimental values. The results of verification in actual neutron field (after transmitted in the fast column and concrete of the reactor ''Yayoi'') showed relatively good agreement with other spectrometrical results in the energy range of tens of keV to MeV. (Wakatsuki, Y.)

  8. Alpha cluster states in light nuclei populated through the (6Li,d) reaction

    Full text: The alpha cluster correlation is an important concept in the nuclear physics of light nuclei. The main purpose of the research program in progress is the investigation of the alpha clustering phenomenon in (xα) and(xα+ν) nuclei through the (6Li,d) alpha transfer reaction. In fact, there is scarce experimental information on the subject, in particular associated with resonant states predicted near (xα) and (xα+ν) thresholds. Measurements of the 12,13C(6Li,d) 16,17O reactions, at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique. The work is under way and an experimental energy resolution of 30 keV was obtained. Near the (4α) breakup threshold in 16O, three narrow alpha resonances, not previously measured, were detected, revealing important α + 12C(G.S.) components. One of these resonances corresponds to the known 0+ state at 15.1 MeV[5] of excitation that has probably, according to Funaki et al., the gas like configuration of the 4α condensate state, with a very dilute density and a large component of α + 12C(Hoyle) configuration. As was already mentioned, our experimental information points to the necessity of including the α + 12C(G.S.) component in the wave function. (author)

  9. TiO{sub 2} colloidal nanocrystals surface modification by V{sub 2}O{sub 5} species: Investigation by {sup 47,49}Ti MAS-NMR and H{sub 2}, CO and NO{sub 2} sensing properties

    Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Comini, Elisabetta [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy); Díaz, Raül [Electrochemical Processes Unit, IMDEA Energy Institute, Avda. Ramón de la Sagra 3, 28935 Móstoles (Spain); Force, Carmen [NMR Unit, Centro de Apoyo Tecnológico, Universidad Rey Juan Carlos, c/Tulipán, s/n, 28933 Móstoles (Spain); Siciliano, Pietro [Consiglio Nazionale delle Ricerche—Istituto per la Microelettronica e Microsistemi (CNR–IMM), via Monteroni c/o Campus Universitario, I-73100 Lecce (Italy); Faglia, Guido [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti 9, 25133 Brescia (Italy)

    2015-10-01

    Highlights: • Novel sensing architecture is presented, made by V{sub 2}O{sub 5} modification of TiO{sub 2} surface. • MAS NMR techniques are a powerful tool for studying the influence of the V{sub 2}O{sub 5} layer. • The V{sub 2}O{sub 5} surface deposition enhanced the adsorption properties with respect to pure TiO{sub 2}. - Abstract: TiO{sub 2} and TiO{sub 2}–V{sub 2}O{sub 5} nanocrystals were prepared by coupling sol–gel and solvothermal methods, followed by heat-treatment at 400 °C, after which the mean nanocrystal size was about 5 nm. The materials were characterized by X-ray diffraction, transmission electron microscopy and solid state nuclear magnetic resonance spectroscopy. It was shown that while the TiO{sub 2} phase was always anatase even after heat-treatment at 500 °C, the presence of the vanadium oxide species enhanced the surface re-configuration of the Ti ions. Hence the coordination environment of surface Ti atoms was drastically changed, by formation of further bonds and imposition of a given local geometry. The final hypothesis was that in pure titania surface rearrangement occurs, leading to the new NMR signal, but this modification was favored in the TiO{sub 2}–V{sub 2}O{sub 5} sample, where the Ti surface atoms were forced into the final configurations by the bonding with V atoms through oxygen. The materials heat-treated at 400 °C were used to process chemoresistive sensors, which were tested to hydrogen, CO and NO{sub 2}, as examples of gases with peculiar sensing mechanisms. The results evidenced that the surface deposition of V{sub 2}O{sub 5} onto the anatase TiO{sub 2} nanocrystals was effective in modifying the adsorption properties of the anatase nanocrystals.

  10. Reanalysis of tritium production in a sphere of 6LiD irradiated by 14-MeV neutrons

    Tritium production and activation of radiochemical detector foils in a sphere of 6LiD irradiated by a central source of 14-MeV neutrons has been reanalyzed. The 6LiD sphere consisted of 10 solid hemispherical nested shells with ampules of 6LiH, 7LiH, and activation foils located 2.2, 5, 7.7, 12.6, 20, and 30 cm from the center. The Los Alamos Monte Carlo Neutron Photon Transport Code (MCNP) was used to calculate neutron transport through the 6LiD, tritium production in the ampules, and foil activation. The MCNP input model was three-dimensional and employed ENDF/B-V cross sections for transport, tritium production, and (where available) foil activation. The reanalyzed experimentally observed-to-calculated values of tritium production were 1.053 +- 2.1% in 6LiH and 0.999 +- 2.1% in 7LiH. The recalculated foil activation observed-to-calculated ratios were not generally improved over those reported in the original analysis

  11. An Updated 6Li(p, α)3He Reaction Rate at Astrophysical Energies with the Trojan Horse Method

    Lamia, L.; Spitaleri, C.; Pizzone, R. G.; Tognelli, E.; Tumino, A.; Degl'Innocenti, S.; Prada Moroni, P. G.; La Cognata, M.; Pappalardo, L.; Sergi, M. L.

    2013-05-01

    The lithium problem influencing primordial and stellar nucleosynthesis is one of the most interesting unsolved issues in astrophysics. 6Li is the most fragile of lithium's stable isotopes and is largely destroyed in most stars during the pre-main-sequence (PMS) phase. For these stars, the convective envelope easily reaches, at least at its bottom, the relatively low 6Li ignition temperature. Thus, gaining an understanding of 6Li depletion also gives hints about the extent of convective regions. For this reason, charged-particle-induced reactions in lithium have been the subject of several studies. Low-energy extrapolations of these studies provide information about both the zero-energy astrophysical S(E) factor and the electron screening potential, Ue . Thanks to recent direct measurements, new estimates of the 6Li(p, α)3He bare-nucleus S(E) factor and the corresponding Ue value have been obtained by applying the Trojan Horse method to the 2H(6Li, α 3He)n reaction in quasi-free kinematics. The calculated reaction rate covers the temperature window 0.01 to 2T 9 and its impact on the surface lithium depletion in PMS models with different masses and metallicities has been evaluated in detail by adopting an updated version of the FRANEC evolutionary code.

  12. MeV Neutron Production from Thermal Neutron Capture in {6}^Li Simulated with Geant4

    Santoro, Valentina; Bentley, Phillip M

    2015-01-01

    Various Li compounds are commonly used at neutron facilities as neutron absorbers. These compounds provide one of the highest ratios of neutron attenuation to $\\gamma$-ray production. Unfortunately, the usage of these compounds can also give rise to fast neutron emission with energies up to almost 16 MeV. Historically, some details in this fast neutron production mechanism can be absent from some modeling packages under some optimization scenarios. In this work, we tested Geant4 to assess the performance of this simulation toolkit for the fast neutron generation mechanism. We compare the results of simulations performed with Geant4 to available measurements. The outcome of our study shows that results of the Geant4 simulations are in good agreement with the available measurements for $^6$Li fast neutron production, and suitable for neutron instrument background evaluation at spallation neutron sources.

  13. Nuclear shell-model calculations for 6Li and 14N with different NN potentials

    Two ''phase-shift equivalent'' local NN potentials with different parametrizations, Reid93 and NijmII, which were found to give nearly identical results for the triton by Friar et al., are shown to yield remarkably similar results for 6Li and 14N in a (0+2)ℎΩ no-core space shell-model calculation. The results are compared with those for the widely used Hamada-Johnson hard-core and the original Reid soft-core potentials, which have larger deuteron D-state percentages. The strong correlation between the tensor strength and the nuclear binding energy is confirmed. However, many nuclear structure properties seem to be rather insensitive to the details of the NN potential and, therefore, cannot be used to test various NN potentials

  14. Investigation of α-cluster states in 13C via the (6Li,d) reaction

    Rodrigues, M R D; Horodynski-Matsushigue, L B; Cunsolo, A; Cappuzzello, F; Duarte, J L M; Rodrigues, C L; Ukita, G M; Souza, M A; Miyake, H

    2010-01-01

    The 9Be(6Li,d)13C reaction was used to investigate possible α-cluster states in 13C. The reaction was measured at 25.5 MeV incident energy, employing the São Paulo Pelletron-Enge-Spectrograph facility and the nuclear emulsion detection technique. Ten out of sixteen known levels of 13C, up to 11 MeV of excitation, were observed and, due to the much improved energy resolution of 50 keV, at least three doublets could be resolved. This work presents a preliminary analysis of five of the most intensely populated states, also in comparison with the results of former transfer studies.

  15. Alpha Resonances in 13C Excited by the 9Be (6Li,d) Reaction

    The 9Be(6Li,d)13C reaction was used to investigate alpha resonant states in 13C up to 13 MeV of excitation. The reaction was measured at a bombarding energy of 25.5 MeV employing the Sao Paulo Pelletron-Enge-Spectrograph facility and the nuclear emulsion detection technique. The resolution of 50 keV allowed for the separation of the resonant contributions to the known 7/2- at 10.753 MeV and (5/2-) at 10.818 MeV 13C states. The alpha resonance seen at the (3α+n) threshold was not previously reported. The experimental angular distributions are presented in comparison with DWBA predictions.

  16. Resonances excited by the 9Be(6Li,d)13C reaction

    Alpha resonant states in 13C up to 15 MeV were excited by the 9Be(6Li,d)13C reaction. The data were taken at a bombarding energy of 25.5 MeV employing the Sao Paulo-Pelletron-Enge Split Pole facility and the nuclear emulsion technique. The resolution of 50 keV allowed for the separation of the resonant contributions to the known 7/2- and (5/2-) states near the 9Be + α threshold both associated with an L = 4 transfer. Several narrow alpha resonant states not previously measured were detected, in particular the one at the 3α + n threshold populated by an L = 2 transfer, revealing a 9Be + α component for the 1/2- cluster state candidate at this threshold. (author)

  17. Thermal neutron detection by entrapping 6LiF nanocrystals in siloxane scintillators

    Carturan, S. M.; Marchi, T.; Maggioni, G.; Gramegna, F.; Degerlier, M.; Cinausero, M.; Dalla Palma, M.; Quaranta, A.

    2015-06-01

    Exploiting the long experience in design and production of scintillating mixtures based on siloxane matrices with combinations of primary dye and waveshifter, a first set of 6LiF loaded scintillator disks has been produced. The synthesis is herein described and reported, as well as preliminary results on their light response towards thermal neutrons. The preservation of transparency and mechanical integrity of the scintillator material is challenging when introducing the inorganic salt LiF which is a "foreign body" to the organic polysiloxane host matrix Different strategies such as synthesis of nanoparticles and surface functionalization have been pursued to succeed in the entrapment of the neutron converter whilst maintaining moderate light output, optical transparency and flexibility of the base scintillator.

  18. Study of reaction products of d + 6Li at 0,18 MeV

    The study of continuous spectra of low energy particles, and more particularly of their shape and intensity allows a better understanding and knowledge of the structure of nuclei as they interact when encountering. As previous studies performed in Saclay had been interpreted by introducing the new notions of nuclear molecule or activated complex followed by a dissymmetric breaking, and in order to better understand the formation of these molecules, this research thesis reports the study of the d + 6Li reaction at 0,18 MeV. After a description of the experimental installation and of the processing of nuclear emulsions, the author presents and discusses the obtained results and calculations resulting from the fact that the different particles cannot be discriminated in the continuum. Theoretical results for the continuous spectrum are compared with experimental results, and the author reports angular distributions of alpha particles and p0 and p1 protons

  19. Asymptotic and near-target direct breakup of 6Li and 7Li

    Kalkal, Sunil; Simpson, E. C.; Luong, D. H.; Cook, K. J.; Dasgupta, M.; Hinde, D. J.; Carter, I. P.; Jeung, D. Y.; Mohanto, G.; Palshetkar, C. S.; Prasad, E.; Rafferty, D. C.; Simenel, C.; Vo-Phuoc, K.; Williams, E.; Gasques, L. R.; Gomes, P. R. S.; Linares, R.

    2016-04-01

    Background: Li,76 and 9Be are weakly bound against breakup into their cluster constituents. Breakup location is important for determining the role of breakup in above-barrier complete fusion suppression. Recent works have pointed out that experimental observables can be used to separate near-target and asymptotic breakup. Purpose: Our purpose is to distinguish near-target and asymptotic direct breakup of Li,76 in reactions with nuclei in different mass regions. Method: Charged particle coincidence measurements are carried out with pulsed Li,76 beams on 58Ni and 64Zn targets at sub-barrier energies and compared with previous measurements using 208Pb and 209Bi targets. A detector array providing a large angular coverage is used, along with time-of-flight information to give definitive particle identification of the direct breakup fragments. Results: In interactions of 6Li with 58Ni and 64Zn, direct breakup occurs only asymptotically far away from the target. However, in interactions with 208Pb and 209Bi, near-target breakup occurs in addition to asymptotic breakup. Direct breakup of 7Li into α -t is not observed in interactions with 58Ni and 64Zn. However, near-target dominated direct breakup was observed in measurements with 208Pb and 209Bi. A modified version of the Monte Carlo classical trajectory model code platypus, which explicitly takes into account lifetimes associated with unbound states, is used to simulate sub-barrier breakup reactions. Conclusions: Near-target breakup in interactions with Li,76 is an important mechanism only for the heavy targets 208Pb and 209Bi. There is insignificant near-target direct breakup of 6Li and no direct breakup of 7Li in reactions with 58Ni and 64Zn. Therefore, direct breakup is unlikely to suppress the above-barrier fusion cross section in reactions of Li,76 with 58Ni and 64Zn nuclei.

  20. Fast neutron measurements with 7Li and 6Li enriched CLYC scintillators

    Giaz, A.; Blasi, N.; Boiano, C.; Brambilla, S.; Camera, F.; Cattadori, C.; Ceruti, S.; Gramegna, F.; Marchi, T.; Mattei, I.; Mentana, A.; Million, B.; Pellegri, L.; Rebai, M.; Riboldi, S.; Salamida, F.; Tardocchi, M.

    2016-07-01

    The recently developed Cs2LiYCl6:Ce (CLYC) crystals are interesting scintillation detectors not only for their gamma energy resolution (neutrons. The thermal neutrons were detected by the 6Li(n,α)t reaction while for the fast neutrons the 35Cl(n,p)35S and 35Cl(n,α)32P neutron-capture reactions were exploited. The energy of the outgoing proton or α particle scales linearly with the incident neutron energy. The kinetic energy of the fast neutrons can be measured using both the Time Of Flight (TOF) technique and using the CLYC energy signal. In this work, the response to monochromatic fast neutrons (1.9-3.8 MeV) of two CLYC 1″×1″ crystals was measured using both the TOF and the energy signal. The observables were combined to identify fast neutrons, to subtract the thermal neutron background and to identify different fast neutron-capture reactions on 35Cl, in other words to understand if the detected particle is an α or a proton. We performed a dedicated measurement at the CN accelerator facility of the INFN Legnaro National Laboratories (Italy), where the fast neutrons were produced by impinging a proton beam (4.5, 5.0 and 5.5 MeV) on a 7LiF target. We tested a CLYC detector 6Li-enriched at about 95%, which is ideal for thermal neutron measurements, in parallel with another CLYC detector 7Li-enriched at more than 99%, which is suitable for fast neutron measurements.

  1. Portable gamma and thermal neutron probe using a {sup 6}LiI(Eu) crystal

    Carneiro, Clemente J.G.; Araujo, Geraldo P.; Milian, Felix M.; Barbosa, Jurandir C.; Garcia, Fermin [Universidade Estadual de Santa Cruz (UESC), Ilheus, BA (Brazil). Centro de Pesquisas em Ciencias e Tecnologias das Radiacoes (CPqCTR); Oliveira, Arno H.; Silva, Mario R.S.; Penna, Rodrigo [Universidade Federal de Minas Gerais (DEN-UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Nuclear

    2011-07-01

    Europium-activated lithium-6 iodide is a scintillator used for gamma and neutron counting. A portable detection system was built based on this scintillator. This system has three modules: the scintillator, a 10 m liquid light guide, and a Hamamatsu photon counting head H9319 used as a light pulse digitizer. Data transfer, measurement time and other necessary adjustment can be controlled by software from the PC through the RS-232C interface. The scintillator, a crystal of {sup 6}LiI(Eu), is a small cylinder with 3 mm diameter and 40 mm length completely sealed in an aluminum tube coupled to the light guide. The small size of the scintillator increases the neutron/gamma count ratio, since 2 to 3 mm of thickness of this crystal absorbs all thermal neutrons. Intensities of X and gamma rays, and thermal neutrons can be recorded for time intervals of 10 ms to 1 s storing up to 10000 countings. The system was calibrated for measuring radiation doses for validating numerical models in dosimetry. Two characteristic reinforce this application, measurements can be done at several meters away from the radiation source and also inside of water. In addition, it was used to build nuclear probes based on Compton scattering or neutron moderation in porous media by attaching an AmBe source to the top of the aluminum tube. Tests were done to determine the reproducibility of counting rates. Background counting was measured at several temperatures to verify the influence of dark current of PMT. Sealed AmBe, low activity Am, and X rays sources were used for studies of radiation counting statistics. X rays apparatus was used to correlate counting rates measured with the {sup 6}LiI(Eu) detection system and doses measured with an ionization chamber at several distances from the X ray source. (author)

  2. Alpha cluster states in light nuclei populated through the (6Li,d) reaction

    Borello-Lewin, Thereza; Rodrigues, M.R.D.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica; Cunsolo, A.; Cappuzzello, F. [Universita di Catania (Italy). Istituto Nazionale di Fisica Nucleare. Lab. Nazionali del Sud; Ukita, Gilberto Mitsuo [Universidade de Santo Amaro (UNISA), Sao Paulo, SP (Brazil). Fac. de Psicologia

    2011-07-01

    Full text: The alpha cluster correlation is an important concept in the nuclear physics of light nuclei. The main purpose of the research program in progress is the investigation of the alpha clustering phenomenon in (x{alpha}) and(x{alpha}+{nu}) nuclei through the ({sup 6}Li,d) alpha transfer reaction. In fact, there is scarce experimental information on the subject, in particular associated with resonant states predicted near (x{alpha}) and (x{alpha}+{nu}) thresholds. Measurements of the {sup 12},{sup 13}C({sup 6}Li,d) {sup 16},{sup 17}O reactions, at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique. The work is under way and an experimental energy resolution of 30 keV was obtained. Near the (4{alpha}) breakup threshold in {sup 16}O, three narrow alpha resonances, not previously measured, were detected, revealing important {alpha} + {sup 12}C(G.S.) components. One of these resonances corresponds to the known 0{sup +} state at 15.1 MeV[5] of excitation that has probably, according to Funaki et al., the gas like configuration of the 4{alpha} condensate state, with a very dilute density and a large component of {alpha} + {sup 12}C(Hoyle) configuration. As was already mentioned, our experimental information points to the necessity of including the {alpha} + {sup 12}C(G.S.) component in the wave function. (author)

  3. Investigations of 6LiIn1-xGaxSe2 semi-insulating crystals for neutron detection

    Wiggins, Brenden; Bell, Joseph; Burger, Arnold; Stassun, Keivan; Stowe, Ashley C.

    2015-08-01

    Neutron detectors are used for illicit material detection, neutron radiography, stellar investigations of chemical content including biological compounds in planetary terrain and to monitor nuclear power plant fuel products and radioactive waste. Li-containing chalcogenide materials are promising alternative thermal neutron detection materials due to the incorporation of the 6Li isotope at high density. 6LiInSe2 is limited in its effective thermal neutron efficiency by 115In neutron capture which results in gamma decay rather than charge creation. This study includes investigations of mixed crystalline material 6LiIn1-xGaxSe2 where the indium concentration is reduced by Ga substitution. The optical properties have been tuned by gallium substitution and radiation response has been observed.

  4. Photoassociation spectroscopy of long-range molecular states below the 2s + 3p 6Li2 asymptote

    Gross, Christian; Chaudhuri, Saptarishi; Gan, Jaren; Dieckmann, Kai

    2015-05-01

    We present photoassociation spectra of high-lying vibrational states of the interatomic potentials correlating to the 2s + 3p asymptote of 6Li2 . Starting from an atomic cloud in a magneto-optical trap we first drive a free-to-bound transition into a molecular bound state using a tunable ultra-violet laser. Thereafter we ionize these long-range molecules using a 532 nm laser and detect the resulting ions with a channeltron. We determine the absolute positions of the transitions with MHz precision utilizing a frequency comb based calibration. Lithium dimers are extensively studied theoretically using various models and methods. Spectroscopic measurements are crucial to test and benchmark these methods and are available for various electronic states and inter-nuclear distances of 6Li2 molecule. Our study provides the first experimental observation of long-range states of the 2s + 3p asymptote of 6Li2 .

  5. The Astrophysical S-factor for the 2H(, )6Li Nuclear Reaction at Low-Energies

    H. Sadeghi; A. Moghadasi; M. Ghamary

    2014-12-01

    The alpha radiative capture reactions are the key to understand about primordial nucleosynthesis and the observed abundance of light nucleus in stars. The astrophysical S-factor for the process 2H(, )6Li has been calculated at the low-energies relevant to big-bang nucleosynthesis and in comparison with laboratory data. On the basis of the model, the alpha radiative capture process is studied by using the two-and three-body electromagnetic currents. The bound and resonance states of 6Li are calculated via an inverse process, deuteron- photodisintegration of a 6Li nucleus. In comparison with other theoretical approaches and available laboratory data, excellent agreement is achieved for the astrophysical S-factor of this process.

  6. Integrated readout of organic scintillator and ZnS:Ag/6LiF for segmented antineutrino detectors.

    Kiff, Scott D.; Reyna, David; Monahan, James; Bowden, Nathaniel S.

    2010-11-01

    Antineutrino detection using inverse beta decay conversion has demonstrated the capability to measure nuclear reactor power and fissile material content for nuclear safeguards. Current efforts focus on aboveground deployment scenarios, for which highly efficient capture and identification of neutrons is needed to measure the anticipated antineutrino event rates in an elevated background environment. In this submission, we report on initial characterization of a new scintillation-based segmented design that uses layers of ZnS:Ag/{sup 6}LiF and an integrated readout technique to capture and identify neutrons created in the inverse beta decay reaction. Laboratory studies with multiple organic scintillator and ZnS:Ag/{sup 6}LiF configurations reliably identify {sup 6}Li neutron captures in 60 cm-long segments using pulse shape discrimination.

  7. Integrated readout of organic scintillator and ZnS:Ag/6LiF for segmented antineutrino detectors.

    Kiff, Scott D.; Reyna, David; Monahan, James (Drexel University, Philadelphia, PA); Bowden, Nathaniel S. (Lawrence Livermore National Laboratory, Livermore, CA)

    2010-10-01

    Antineutrino detection using inverse beta decay conversion has demonstrated the capability to measure nuclear reactor power and fissile material content for nuclear safeguards. Current efforts focus on aboveground deployment scenarios, for which highly efficient capture and identification of neutrons is needed to measure the anticipated antineutrino event rates in an elevated background environment. In this submission, we report on initial characterization of a new scintillation-based segmented design that uses layers of ZnS:Ag/{sup 6}LiF and an integrated readout technique to capture and identify neutrons created in the inverse beta decay reaction. Laboratory studies with multiple organic scintillator and ZnS:Ag/{sup 6}LiF configurations reliably identify {sup 6}Li neutron captures in 60 cm-long segments using pulse shape discrimination.

  8. Double-folding analysis of the 6Li + 58Ni reaction using the ab initio density distribution

    The elastic scattering angular distributions of the 6 Li + 58 Ni reaction are reanalyzed by using the double-folding model (DFM) within the framework of the optical model (OM) at energies near the Coulomb barrier, ELab = 9.9, 11.2, 12.1, 13.0 and 14.0 MeV. With this goal, for the first time, the no-core full configuration (NCFC) density distribution (DD) of the 6 Li nucleus is used in order to obtain the real potentials. Also, in order to see the validity of NCFC DD, another density distribution (Gaussian shape) of the 6 Li nucleus is used to obtain the real potentials in DF calculations. The results with NCFC DD are compared with Gaussian shape (GS) DD as well as the experimental data. It has been seen that the NCFC DD results are in agreement with the experimental data, giving better results than GS DD. (orig.)

  9. Energy loss of high velocity 6Li2+ ions in carbon foils in charge state non-equilibrium region

    Mean energy losses of high velocity H-like Li ions in thin carbon foils were measured in the charge state non-equilibrium region. Owing to the screening effect of the bound electron, the fixed-charge stopping power for 6Li2+ was smaller than that for 6Li3+. The projectile atomic number dependence of the fixed-charge stopping powers for H-like ions is discussed including our previous data of He, C and O ions with the same velocity. The present result is also compared with the theoretical prediction. (orig.)

  10. Quasi-bound alpha resonant states populated by the 12C(6Li, d) reaction

    Full text: The alpha cluster phenomenon in the light nuclei structure has been the subject of a long time investigation since the proposal of the Ikeda diagrams [1]. The main purpose of the research program in progress is the investigation of this phenomenon in (xα) and (xα+n) nuclei through the (6Li, d) alpha transfer reaction [2-4]. Alpha resonant states around the (4α) threshold in the nucleus 16O are the focus of the present contribution. In fact, the importance of these resonances at the elements production in stars is recognized, as primarily pointed out by Hoyle in 12C [6]. The existence of a rotational band with the α +12 C (Hoyle) cluster state structure was recently demonstrated by Ohkubo and Hirabayashi [6]. In order to explore this region of interest, measurements of the 12C(6Li, d)16O reaction up to 17 MeV of excitation at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique (plates Fuji G6B, 50 μm thick). Spectra associated with six scattering angles, from 5 deg to 29 deg in the laboratory frame, each one 50 cm along the focal surface, were measured. Several narrow resonances with a quasi-bound behavior embedded in the continuum were detected and the resolution of 25 keV allowed for the separation of doublets not resolved before [7,8]. The absolute cross sections and the respective deuteron angular distributions were determined and the analysis is in progress. [1] K. Ikeda et al., Prog. Theor. Phys. Suppl. E 68, 464 (1968); H. Horiuchi, K. Ikeda, and Y. Suzuki, ibid. 44, 225 (1978). [2] M.R.D.Rodrigues et al., in12th International Conference on Nuclear Reaction Mechanism, Varenna, Italy, edited by F. Cerutti and A. Ferrari , CERN Proceedings, 2010-2, pp. 331- 335. [3] T. Borello-Lewin et al., Proceedings of SOTANCP2, Brussels, Belgium 2010, edited by P. Descouvemount et al., Int. J. Mod. Mod. Phys E 20, 1018-1021 (2011). [4] T. Borello-Lewin et

  11. Alpha resonances excited in13C and 16O by the (6Li,d) reaction

    The investigation of a cluster correlations is the main purpose of the research program in progress, focusing on xα and xα + ν nuclei. The reactions 9Be(6Li,d)13C and 12C(6Li,d)16O measured at the bombarding energy of 25.5 MeV, employing the São Paulo Pelletron-Enge-Spectrograph facility and the nuclear emulsion technique, were used to enhance a resonant states in 13C and 16O. An energy resolution of 20-40 keV was obtained and up to 15.5 MeV of excitation, in both nuclei, several resonances not previously measured, revealing a quasi-bound behavior, were detected. Focusing on 13C, the experimental angular distributions associated with the resonances just above the 9Be + α and 3α + ν thresholds[2] were compared with DWBA predictions. Seen at the 9Be + α threshold, a pure L = 4 transfer is indicated for each transition to the known 7/2- and (5/2-) states instead of L = 2 obtained in the former fit[3] to the integrated contribution. The narrow resonance detected at 12.3 MeV of excitation, close to the 3α + ν threshold and populated by an L = 2 transfer, reveals a 9Be(G.S.) + α component for the 1/2- cluster state candidate, 12C(Hoyle) + ν, at this threshold. Considering the 16O, states were revealed around the 4α threshold (14.44 MeV) and the upper limit resonant widths were obtained. The resonance at 14.670 MeV was reached by an L = 5 direct transfer in agreement with the 5- attribution. The upper limit width obtained, near the experimental resolution, is inconsistent with the usual experimental[4,5] and theoretical[6-7] interpretations of the 5- state revealed as a broad resonance in the same excitation energy region and considered to be a member of the Kπ = 0- band with the 12C(G.S.) + α structure. In the same excitation energy range, a narrow 5- resonance decaying to 12C(2+ 1), was predicted by Suzuki using a comprehensive semi-microscopic alpha cluster calculation, in agreement with the present findings. Haigh et al., in the investigation of the 12C

  12. Multi-elemental characterization of organic liquid samples by use of a 13 MeV 6Li3+ beam

    Evaporated amniotic fluid (AF) targets have been bombarded with a 13 MeV 6Li3+ beam. Forward angle data have served to identify the 1H(6Li,1H)6Li reaction as an alternative for hydrogen characterization of such organic samples. Detected 6Li ions elastically scattered from C, N, O, Na and Cl can also be used to determine the concentrations of these elements in AF. The analyzed AF samples have been diluted with distilled water. The effect of sample dilution on the improvement of spectrum energy resolution has been observed, confirming previous reports. The hydrogen concentration determined in the studied AF targets is shown to vary linearly with sample dilution. Two detector arrangements have been used to find out which detection scheme is the most convenient. The combination of a counter telescope and a single detector, set up at the same polar angle on the opposite side of the beam, seems to be the best choice to have a reliable particle identification and an adequate energy resolution simultaneously.

  13. Evaluation of repulsive core parameters in heavy ion interactions from an analysis of the 6Li+28Si elastic scattering

    An attempt has been made to evaluate short-range repulsive core parameters in the potential of 6Li and 28Si nuclei interaction. The required data are obtained as a result of simultaneous analysis of experimental angular distributions of 6Li+28Si elastic scattering at the collision energy Esub(Li)=30 and 154 MeV. The evaluation calculations for Esub(Li)=5.8-154 MeV are performed. The relation of the repulsive core with the equation of nuclear matter state is discussed. From the analysis of experimental data on elastic scattering of 6Li+28Si at Esub(Li)=30 and 154 MeV an optical potential describing elastic scattering 30 MeV of 6Li+28Si in a wide angle range THETA <= 172 deg is obtained. The most specific peculiarity of the potential obtained is the presence of strong repulsion at short distances (r <= 3.5 f) between nuclei mass centres. It is shown that the parameters of the repulsive core obtained can be roughly evaluated using the equations of state of nuclear matter while the depth of the potential real part (approximately 30 MeV) is in qualitative agreement with some other approaches in which ion-ion interaction is calculated theoretically

  14. On the hyperfine structures of the ground state(s) in the ${}^{6}$Li and ${}^{7}$Li atoms

    Frolov, Alexei M

    2016-01-01

    Hyperfine structure of the ground $2^{2}S-$states of the three-electron atoms and ions is investigated. By using our recent numerical values for the doublet electron density at the atomic nucleus we determine the hyperfine structure of the ground (doublet) $2^{2}S-$state(s) in the ${}^{6}$Li and ${}^{7}$Li atoms.

  15. Reactions 7Li(e,6He) pe' and 7Li(e,6Li) ne' at intermediate excitation energies

    The reactions 7Li(e,6He) pe' and 7Li(e,6Li) ne' have been studied at intermediate excitation energies. Angular distributions as well as energy distributions are presented. The experimental cross sections are compared to the results obtained from a simple model

  16. Neutron total and scattering cross sections of 6Li in the few MeV region

    Neutron total cross sections of 6Li are measured from approx. 0.5 to approx. 4.8 MeV at intervals of approx. 10 scattering angles and at incident-neutron intervals of approx.< 100 keV. Neutron differential inelastic-scattering cross sections are measured in the incident-energy range 3.5 to 4.0 MeV. The experimental results are extended to lower energies using measured neutron total cross sections recently reported elsewhere by the authors. The composite experimental data (total cross sections from 0.1 to 4.8 MeV and scattering cross sections from 0.22 to 4.0 MeV) are interpreted in terms of a simple two-level R-matrix model which describes the observed cross sections and implies the reaction cross section in unobserved channels; notably the (n;α)t reaction (Q = 4.783 MeV). The experimental and calculational results are compared with previously reported results as summarized in the ENDF/B-V evaluated nuclear data file

  17. Direct measurements of the absorption and spin-dependent scattering of thermal neutrons by 6Li

    To describe the interaction of slow neutrons (s waves) with nuclei of non-zero spin I it is necessary to introduce four parameters: b+, b- (scattering length for bound nuclei) and sigma+sub(c), sigma-sub(c) (capture cross section), the indices + and - referring respectively to the two possible channels for the interaction: I+1/2 and I-1/2. Having introduced the formalism of slow neutron scattering by a polarized target it is shown how B=(b+-b-)/(2I+1) and (sigma+sub(c)-sigma-sub(c)) may be determined by two kinds of experiments: analysis of the transmission of a polarized neutron beam as a function of the target polarization, and the pseudo-magnetism measurements. The notions of spin temperature, thermodynamics spin reservoirs and phenomena of nuclear relaxation and dynamic polarization in solids are reviewed and the experimental equipment is described briefly. The methods are applied to the measurement of capture and spin-dependent scattering amplitude for 6Li nuclei on a polycrystalline metallic sample and a monocrystalline lithium fluoride sample. The values found are: b+-b-=(0.38+-0.05) 10-12cm and sigma+sub(c)-sigma-sub(c)=(-1190+-40w) barn

  18. Analysis of 6Li Scattering at 240 MeV Using Different Nuclear Potentials

    Al-Ghamdi, A. H.; Ibraheem, Awad A.

    2016-06-01

    Angular distributions of the elastic and inelastic scattering cross sections of 6Li projectile on different heavy ion target nuclei including the 24Mg, 28Si, 48Ca, 58Ni, 90Zr, and 116Sn at energy of 240 MeV have been analyzed by using two different folded potentials based on the CDM3Y6 and São Paulo potentials for the real part of the optical potential, while the imaginary parts have a phenomenological Woods-Saxon shape. Coupled channel calculations for the low-lying 2+ state at 1.369, 1.779, 3.832, 1.454, 2.186, and 1.29 MeV for 24Mg, 28Si, 48Ca, 58Ni, 90Zr, and 116Sn, respectively, have been carried out, and the best fit values for B(EL) with the above models have been extracted by fitting the inelastic scattering cross section and compared with the values of previous works. The total reaction cross section and real and imaginary volume integrals have also been investigated.

  19. UAV Robust Strategy Control Based on MAS

    Jian Han; Changhong Wang; Guoxing Yi

    2014-01-01

    A novel multiagent system (MAS) has been proposed to integrate individual UAV (unmanned aerial vehicle) to form a UAV team which can accomplish complex missions with better efficiency and effect. The MAS based UAV team control is more able to conquer dynamic situations and enhance the performance of any single UAV. In this paper, the MAS proposed and established combines the reacting and thinking abilities to be an initiative and autonomous hybrid system which can solve missions involving coo...

  20. The Trojan-Horse Method applied to the {sup 6}Li(p,{alpha}){sup 3}He reaction down to astrophysical energies

    Tumino, A.; Spitaleri, C.; Pappalardo, L.; Cherubini, S.; Del Zoppo, A.; La Cognata, M.; Musumarra, A.; Pellegriti, M.G.; Pizzone, R.G.; Rinollo, A.; Romano, S.; Typel, S

    2004-04-05

    The Trojan-Horse Method has been applied to the three-body d({sup 6}Li,{alpha}{sup 3}He)n break-up reaction in order to extract the bare nucleus S(E) factor for the {sup 6}Li(p,{alpha}){sup 3}He down to astrophysical energies.

  1. Towards {sup 6}Li-{sup 40}K ground state molecules

    Brachmann, Johannes Felix Simon

    2013-02-08

    The production of a quantum gas with strong long - range dipolar interactions is a major scientific goal in the research field of ultracold gases. In their ro - vibrational ground state Li-K dimers possess a large permanent dipole moment, which could possibly be exploited for the realization of such a quantum gas. A production of these molecules can be achieved by the association of Li and K at a Feshbach resonance, followed by a coherent state transfer. In this thesis, detailed theoretical an experimental preparations to achieve state transfer by means of Stimulated Raman Adiabatic Passage (STIRAP) are described. The theoretical preparations focus on the selection of an electronically excited molecular state that is suitable for STIRAP transfer. In this context, molecular transition dipole moments for both transitions involved in STIRAP transfer are predicted for the first time. This is achieved by the calculation of Franck-Condon factors and a determination of the state in which the {sup 6}Li-{sup 40}K Feshbach molecules are produced. The calculations show that state transfer by use of a single STIRAP sequence is experimentally very well feasible. Further, the optical wavelengths that are needed to address the selected states are calculated. The high accuracy of the data will allow to carry out the molecular spectroscopy in a fast and efficient manner. Further, only a comparatively narrow wavelength tuneability of the spectroscopy lasers is needed. The most suitable Feshbach resonance for the production of {sup 6}Li-{sup 40}K molecules at experimentally manageable magnetic field strengths is occurring at 155 G. Experimentally, this resonance is investigated by means of cross-dimensional relaxation. The application of the technique at various magnetic field strengths in the vicinity of the 155 G Feshbach resonance allows a determination of the resonance position and width with so far unreached precision. This reveals the production of molecules on the atomic side

  2. Studies on the light heavy ion system 6Li+16O

    In the present thesis the system 6Li+16O is studied in the range of the Coulomb threshold. The measured excitation functions exhibit almost without exception correlatedly occurring structures at Elab=5.4 MeV respectively 6.5 MeV (this corresponds to Ex(22Na)=18.5 MeV respectively 19.3 MeV). A detailed statistical analysis consisting of the calculation of the fluctuation band widths in the sense of the Ericson theory, the peak-counting analysis, the Fourier analysis, the auto-/cross-correlation analysis, as well as the calculation of the energy-dependent cross correlation and deviation functions identifies these phenomena as resonances (99% confidence limit). Further structures at Elab=4.7 and 7.8 MeV (corresponds toEx=17.9 respectively 20.2 MeV) reach the 90% confidence level. The mean coherence width resulted to Γ ≅ 130 keV and lies by this distinctly below the experimentally determined resonance widths of 350 keV ≤Γtot≤800 keV. The positions of the resonances can be well described by the assumption of a K=1 rotational band in the nucleus 22Na. Beside the model-dependent spin assignment the distribution of the angular momenta in the entrance channel suggests a negative parity of the band. By means of the experimentally determined linear cross correlation coefficients for isobaric analogue decay channels furthermore the Coulomb matrix element is determined to x>=1.5 keV. The comparison with the mean level width of the compound nucleus 22Na at excitation energies around 19 MeV indicates an extremely low Isospin violation. (orig./HSI)

  3. Precise determination of 6Li cold collision parameters by radio-frequency spectroscopy on weakly bound molecules

    We employ radio-frequency spectroscopy on weakly bound 6Li2 molecules to precisely determine the molecular binding energies and the energy splittings between molecular states for different magnetic fields. These measurements allow us to extract the interaction parameters of ultracold 6Li atoms based on a multichannel quantum scattering model. We determine the singlet and triplet scattering lengths to be as=45.167(8)a0 and at=-2140(18)a0 (1a0=0.052 917 7 nm), and the positions of the broad Feshbach resonances in the energetically lowest three s-wave scattering channels to be 83.41(15), 69.04(5), and 81.12(10) mT

  4. Comparison of thermal neutron detection efficiency of 6Li scintillation glass and 3He gas proportional tube

    We report on a comparison study of the 3He gas proportional tube and the 6Li incorporated scintillation glasses on thermal neutron detection efficiency. Both 3He and 6Li are used commonly for thermal neutron detection because of their high neutron capture absorption coefficient. By using a neutron source 252Cf and a paraffin moderator in an alignment system, we can get a small beam of thermal neutrons. A flash ADC is used to measure the thermal neutron spectrum of each detector, and the detected number of events is determined from the spectrum, then we can calculate the detection efficiency of different detectors. Meanwhile, the experiment has been modeled with GEANT4 to validate the results against the Monte Carlo simulation. (authors)

  5. Li2TiO3 pebbles reprocessing, recovery of 6Li as Li2CO3

    A process for obtaining Li2CO3 from Li2TiO3 powder by wet chemistry was developed. This is considered useful in view of the recovery of 6Li isotope from a lithium titanate breeder burned up to its end of life in a fusion reactor. The process was optimized with respect to the chemical attack of titanate and the precipitation of carbonate from aqueous solutions to get a powder, with the chemical and morphological characteristics, suitable for its re-exploitation in the fabrication of Li2TiO3 pebbles. Reprocessing was also planned to adjust the 6Li concentration to the desired value and to obtain homogeneous distribution in the powder batch. Further development concerning reprocessing of sintered Li2TiO3 pebbles is in progress exploiting the results obtained with lithium titanate powders. (orig.)

  6. Li2TiO3 pebbles reprocessing, recovery of 6Li as Li2CO3

    A process for obtaining Li2CO3 from Li2TiO3 powder by wet chemistry was developed. This is considered useful in view of the recovery of the 6Li isotope from lithium titanate breeder burned to its end of life in a fusion reactor. The process was optimized with respect to the chemical attack of titanate and the precipitation of carbonate from aqueous solutions to get a powder with chemical and morphological characteristics suitable for its reexploitation in the fabrication of Li2TiO3 pebbles. Reprocessing was also planned to adjust the 6Li concentration to the desired value and to obtain a homogeneous distribution in the powder batch. Further development concerning reprocessing of sintered Li2TiO3 pebbles is in progress exploiting the results obtained with lithium titanate powders

  7. Astrophysical S-factor for $^6$Li$(p,\\gamma)$$^7$Be in the coupled-channel Gamow shell model

    Dong, G X; Michel, N; Płoszajczak, M

    2015-01-01

    We have applied the Gamow shell model (GSM) in the coupled-channel representation to study the astrophysical $S$-factor for the proton radiative capture reaction of $^6$Li. Reaction channels are built by coupling the proton wave function expanded in different partial waves with the GSM wave functions of the ground state ($1^+$) and the excited states ($3^+_1$, $0^+_1$ and $2^+_1$) of $^6$Li. All relevant $E1$, $M1$, and $E2$ transitions from the initial continuum states in $^7$Be to the final bound states (${3/2}^-_1$ and ${1/2}^-_1$) states are included. It is found that the calculated total astrophysical $S$ factor for this reaction agrees well with the experimental data.

  8. Astrophysical S-factor for 6Li(ρ, γ)7Be in the coupled-channel Gamow shell model

    Dong, G. X.; Fossez, K.; Michel, N.; Płoszajczak, M.

    2016-02-01

    We have applied the Gamow shell model (GSM) in the coupled-channel representation to study the astrophysical S-factor for the proton radiative capture reaction of 6Li. Reaction channels are built by coupling the proton wave function expanded in different partial waves with the GSM wave functions of the ground state (1+) and the excited states (31+, 01+ and 21+) of 6Li. All relevant E1, M1, and E2 transitions from the initial continuum states in 7Be to the final bound states (3/21- and 1/21-) are included. It is found that the calculated total astrophysical S factor for this reaction agrees well with the experimental data.

  9. Neutron detection and identification using ZnS:Ag/{sup 6}LiF in segmented antineutrino detectors

    Kiff, Scott D., E-mail: skiff@sandia.gov [Sandia National Laboratories, 7011 East Avenue, Livermore, CA 94550 (United States); Bowden, Nathaniel [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550 (United States); Lund, Jim; Reyna, David [Sandia National Laboratories, 7011 East Avenue, Livermore, CA 94550 (United States)

    2011-10-01

    Antineutrino detection using inverse beta-decay conversion has demonstrated capability to measure nuclear reactor power and fissile material content for nuclear safeguards. Current efforts focus on aboveground deployment scenarios, for which a successful background rejection strategy will be needed to measure the anticipated antineutrino event rates. In this paper, we report on initial studies to quantify the intrinsic capture efficiency and particle identification capabilities of a new scintillation-based segmented design that uses layers of ZnS:Ag/{sup 6}LiF to capture and identify neutrons created in the inverse beta-decay reaction. Laboratory efficiency measurements are consistent with MCNP5 calculations, estimating {sup 6}Li neutron conversion efficiency above 50% for practical full-scale detector configurations.

  10. Study of the {sup 9}Be(p,{alpha}){sup 6}Li reaction via the Trojan Horse Method

    Romano, S.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Gulino, M.; La Cognata, M.; Tumino, A. [INFN, Laboratori Nazionali del Sud, Catania (Italy); Universita di Catania, Dipartimento di Metodologie Fisiche e Chimiche per l' Ingegneria, Catania (Italy); Li, C.; Pizzone, R.G. [INFN, Laboratori Nazionali del Sud, Catania (Italy)

    2006-03-15

    The Trojan Horse Method has been applied to the {sup 2}H({sup 9}Be,{sup 6}Li{alpha})n three-body reaction in order to investigate the {sup 9}Be(p,{alpha}){sup 6}Li two-body reaction, which is involved in the study of light element abundances (lithium, beryllium and boron). A coincidence measurement was performed in order to identify the presence of the quasi-free mechanism in the three-body reaction, needed for the application of the method. The astrophysical S(E)-factor was extracted and compared to direct data. No information about electron screening effects can be extracted due to the poor resolution of the indirect data. (orig.)

  11. Simultaneous measurement of angular distribution of elastic scattering for 6Li, 7Be, and 8B in 58Ni

    The experimental angular distributions of elastic scattering for the projectiles 6Li, 7Be, 8B in 58Ni were obtained. Using the Optical model with a Woods-Saxon potential form, as much for the real part as for the imaginary one, an adjustment to the experimental data varying only the depth of the imaginary part of the potential is made. A comparison of the results obtained for each projectile is made. (Author)

  12. Influence of the separation of the centre-of-mass motion on the charge form factor of /sup 6/Li

    Bouten, M. (Limburgs Universitair Centrum (Belgium)); Bouten, M.C. (Centre d' Etude de l' Energie Nucleaire, Mol (Belgium))

    1982-12-01

    An exact calculation is carried out for the charge form factor of /sup 6/Li using a wavefunction for the ground state which depends on the internal coordinates only and which contains a short-range correlation factor of the Jastrow type. A very good fit to the experimental data can be obtained by adjusting the parameters in the wavefunction. It is found that the optimum value of these parameters depends sensitively on the way the centre-of-mass coordinate is eliminated.

  13. Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study

    Balle, Thomas; Begtrup, Mikael; Jaroszewski, Jerzy W.;

    2006-01-01

    -position. The observed regioselectivity can be correctly predicted, at least qualitatively, using density functional B3LYP/6-31+G(d,p) calculations only when solvation effects (IEFPCM) are taken into account. The 1H,6Li HOESY and NOESY NMR spectra of the thermodynamic product 5-lithio-1-methylpyrazole (5...

  14. Theoretical study of the α +d →6Li +γ astrophysical capture process in a three-body model

    Tursunov, E. M.; Kadyrov, A. S.; Turakulov, S. A.; Bray, I.

    2016-07-01

    The astrophysical capture process α +d →6Li is studied in a three-body model. The initial state is factorized into the deuteron bound state and the (α +d )-scattering state. The final nucleus 6Li (1+) is described as a three-body bound state α +n +p in the hyperspherical Lagrange-mesh method. The contribution of the E 1 -transition operator from the initial isosinglet states to the isotriplet components of the final state is estimated to be negligible. An estimation of the forbidden E 1 transition to the isosinglet components of the final state is comparable with the corresponding results of the two-body model. However, the contribution of the E 2 -transition operator is found to be much smaller than the corresponding estimations of the two-body model. The three-body model perfectly matches the new experimental data of the LUNA Collaboration with the spectroscopic factor of 2.586 estimated from the bound-state wave functions of 6Li and a deuteron.

  15. Examination of the Coulomb-nuclear interference in inelastic scattering of 6Li in 76Ge

    The inelastic scattering of 28,0 MeV 6Li on 76Ge in the excitation of the 2+1 state, has been studied with the Coulomb-Nuclear Interference (CNI) analysis. The data were measured at the Pelletron-Enge-Spectrograph facility at LAFN-IFUSP. A solid-state position sensitive silicon detector (PSD) (500μm thickness and 47 × 8 mm2 area) was used to measure the data at the spectrometer focal plane. Digital pulse processing (DPP) was implemented in the acquisition system. Twenty-six spectra were measured at carefully chosen scattering angles in the range of 10 deg ≤ θLab ≤ 55 deg to obtain an angular distribution. The analysis was performed with the Distorted Wave Born Approximation (DWBA) and applied for the nuclear transition potential, the Deformed Optical Potential Model (DOMP), under well-established global optical parameters. The fit of the predicted cross sections to the experimental data through χ2 minimization, using the iterative method of Gauss, allowed for the extraction of the correlated parameters, δN2, the mass deformation length, and C2 = ΝC2/δN2, the ratio between charge and mass deformation lengths. The correlated parameters obtained in the present work were C2 = 1,101 (20) and δN2 = 1,08(21)fm. Statistical tests, through a Monte Carlo simulation of 5000 new data sets, validated the method employed in the correlated parameters fit. The methodology applied for the CNI analysis allowed the extraction of ratio B(EL)/B(ISL), which is proportional to the square of C2, with a good precision due to the scale uncertainties cancellation of the absolute cross sections. The values of B(IS2) and of the ratios B(E2)/B(IS2) obtained in the present work have not been reported before and allow the study of the evolution of the collectivity throughout the even-A germanium chain together with former results obtained for the 70,72,74Ge isotopes. The results along the chain indicate that although the protons relative to the neutrons reveal a small predominant

  16. First direct measurement of the 2H(α,γ)6Li cross section at big bang energies and the primordial lithium problem.

    Anders, M; Trezzi, D; Menegazzo, R; Aliotta, M; Bellini, A; Bemmerer, D; Broggini, C; Caciolli, A; Corvisiero, P; Costantini, H; Davinson, T; Elekes, Z; Erhard, M; Formicola, A; Fülöp, Zs; Gervino, G; Guglielmetti, A; Gustavino, C; Gyürky, Gy; Junker, M; Lemut, A; Marta, M; Mazzocchi, C; Prati, P; Rossi Alvarez, C; Scott, D A; Somorjai, E; Straniero, O; Szücs, T

    2014-07-25

    Recent observations of (6)Li in metal poor stars suggest a large production of this isotope during big bang nucleosynthesis (BBN). In standard BBN calculations, the (2)H(α,γ)(6)Li reaction dominates (6)Li production. This reaction has never been measured inside the BBN energy region because its cross section drops exponentially at low energy and because the electric dipole transition is strongly suppressed for the isoscalar particles (2)H and α at energies below the Coulomb barrier. Indirect measurements using the Coulomb dissociation of (6)Li only give upper limits owing to the dominance of nuclear breakup processes. Here, we report on the results of the first measurement of the (2)H(α,γ)(6)Li cross section at big bang energies. The experiment was performed deep underground at the LUNA 400 kV accelerator in Gran Sasso, Italy. The primordial (6)Li/(7)Li isotopic abundance ratio has been determined to be (1.5 ± 0.3) × 10(-5), from our experimental data and standard BBN theory. The much higher (6)Li/(7)Li values reported for halo stars will likely require a nonstandard physics explanation, as discussed in the literature. PMID:25105610

  17. Fluid flow dynamics in MAS systems.

    Wilhelm, Dirk; Purea, Armin; Engelke, Frank

    2015-08-01

    The turbine system and the radial bearing of a high performance magic angle spinning (MAS) probe with 1.3mm-rotor diameter has been analyzed for spinning rates up to 67kHz. We focused mainly on the fluid flow properties of the MAS system. Therefore, computational fluid dynamics (CFD) simulations and fluid measurements of the turbine and the radial bearings have been performed. CFD simulation and measurement results of the 1.3mm-MAS rotor system show relatively low efficiency (about 25%) compared to standard turbo machines outside the realm of MAS. However, in particular, MAS turbines are mainly optimized for speed and stability instead of efficiency. We have compared MAS systems for rotor diameter of 1.3-7mm converted to dimensionless values with classical turbomachinery systems showing that the operation parameters (rotor diameter, inlet mass flow, spinning rate) are in the favorable range. This dimensionless analysis also supports radial turbines for low speed MAS probes and diagonal turbines for high speed MAS probes. Consequently, a change from Pelton type MAS turbines to diagonal turbines might be worth considering for high speed applications. CFD simulations of the radial bearings have been compared with basic theoretical values proposing considerably smaller frictional loss values. The discrepancies might be due to the simple linear flow profile employed for the theoretical model. Frictional losses generated inside the radial bearings result in undesired heat-up of the rotor. The rotor surface temperature distribution computed by CFD simulations show a large temperature gradient over the rotor. PMID:26073599

  18. A social-democracia do MAS boliviano

    Guilherme Simões Reis

    2013-01-01

    O partido MAS, que governa a Bolívia e é liderado pelo presidente Evo Morales, geralmente é classificado como populista ou como revolucionário. Este artigo contesta ambos os diagnósticos, e sustenta que o MAS é um partido social-democrata. Tanto em sua gênese, como em seu comportamento na oposição, como em suas políticas no governo, o MAS apresenta todas as características necessárias para ser classificado como um representante da social-democracia. Para contestar os diagnósticos predominante...

  19. Is solid-state NMR enhanced by dynamic nuclear polarization?

    Lee, Daniel; Hediger, Sabine; De Paëpe, Gaël

    2015-01-01

    The recent trend of high-field (~5-20 T), low-temperature (~100 K) ssNMR combined with dynamic nuclear polarization (DNP) under magic angle spinning (MAS) conditions is analyzed. A brief overview of the current theory of hyperpolarization for so-called MAS-DNP experiments is given, along with various reasons why the DNP-enhancement, the ratio of the NMR signal intensities obtained in the presence and absence of microwave irradiation suitable for hyperpolarization, should not be used alone to gauge the value of performing MAS-DNP experiments relative to conventional ssNMR. This is demonstrated through a dissection of the current conditions required for MAS-DNP with particular attention to resulting absolute sensitivities and spectral resolution. Consequently, sample preparation methods specifically avoiding the surplus of glass-forming solvents so as to improve the absolute sensitivity and resolution are discussed, as are samples that are intrinsically pertinent for MAS-DNP studies (high surface area, amorphous, and porous). Owing to their pertinence, examples of recent applications on these types of samples where chemically-relevant information has been obtained that would have been impossible without the sensitivity increases bestowed by MAS-DNP are also detailed. Additionally, a promising further implementation for MAS-DNP is exampled, whereby the sensitivity improvements shown for (correlation) spectroscopy of nuclei at low natural isotopic abundance, facilitate internuclear distance measurements, especially for long distances (absence of dipolar truncation). Finally, we give some speculative perspectives for MAS-DNP. PMID:25779337

  20. NMR crystallography of active pharmaceuticals ingredients for industrial applications

    Urbanová, Martina; Brus, Jiří; Kobera, Libor

    Herceg Novi : Materials Research Society, 2008. s. 165. [Annual Conference YUCOMAT 2008 /10./. 08.09.2008-12.09.2008, Herceg Novi] R&D Projects: GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Keywords : MAS NMR * atorvastatin * NMR crystallography Subject RIV: CF - Physical ; Theoretical Chemistry

  1. Analysis of tritium production in concentric spheres of oralloy and 6LiD irradiated by 14-MeV neutrons

    Tritium production and activation of radiochemical detector foils in a sphere of 6LiD with an oralloy core irradiated by a central source of 14-MeV neutrons have been calculated and compared with experimental measurements. The experimental assembly consisted of an oralloy sphere surrounded by three solid 6LiD concentric shells with ampules of 6LiH and 7LiH and activation foils located in several positions throughout the assembly. The Los Alamos Monte Carlo Neutron Photon Transport Code (MCNP) was used to calculate neutron transport throughout the system, tritium production in the ampules, and foil activation. The overall experimentally observed-to-calculated ratios of tritium production were 0.996 +- 2.5% in 6Li ampules and 0.903 +- 5.2% in 7Li ampules. Observed-to-calculated ratios for foil activation are also presented. 11 refs., 4 figs., 7 tabs

  2. Role of neutron transfer processes on the 6Li+120Sn and 7Li+119Sn fusion reactions

    Fisichella M.

    2015-01-01

    Full Text Available The results concerning the study of 6Li+120Sn and 7Li+119Sn systems are presented. These two sistems are characterised by very similar structures of the interacting nuclei and by different Q-value for one-and two- neutron transfer. Our aim is to disentangle the possible effects due to the different n-transfer Q-values, at sub-barriers energies, by comparing the two fusion excitation function. In these experiments the fusion cross section has been measured by using a stack activation technique. No particular differences in the two fusion excitation functions have been observed.

  3. The 6Li(e,e'p) and 142,146Nd(e,e'p) reactions

    In this thesis two special cases of the (e,e'p) reaction are discussed. The first case is a (e,e'p) reaction for which the residual nucleus is unbound. With an unbound residual nucleus in the (e,e'p) reaction the proton-separation energy equals the two-body emission threshold of the target nucleus. Hence such a reaction is very interesting in a study of possible contributions of many-body mechanisms to cross sections obtained in (e,e'p) reactions. These contributions have been studied for the 6Li(e,e'p) reaction. The second case is an investigation of the change in shape of momentum distributions in the (e,e'p) reaction due to deformation effects, by studying proton knockout from 142Nd (spherical in the ground state) and 146N (deformable). The first part of the thesis deals with the 6Li(e,e'p) reaction. First the essential ingredients for the interpretation of the (e,e'p) cross sections are discussed. Three theoretical models, which predict the 6Li(e,e'p) spectral function, are discussed: the harmonic oscillator model shell, a three-body α-n-p cluster model, and another cluster model with different clusterization of the constituents 6Li and 5He. The experimental spectral function is presented and discussed within the theoretical framework. The occurence of reaction mechanisms beyond the quasi-elastic (e,e'p) reaction is investigated. In the second part the 142Ne(e,e'p) an 146Ne(e,e'p) reactions are discussed. The shape of the momentum distribution in deformed nuclei is discussed within the Nilsson model, followed by a summary of the experimental conditions under which the experimental spectral functions of both (e,e'p) reactions have been obtained. The energy-position and momentum distribution of the lowest discrete transitions are compared to the Nilsson-model predictions. (H.W.). 181 p.; 61 figs.; 27 tabs

  4. {sup 16}O resonances near 4α threshold through {sup 12}C({sup 6}Li,d) reaction

    Rodrigues, M. R. D.; Borello-Lewin, T.; Miyake, H.; Horodynski-Matsushigue, L. B.; Duarte, J. L. M.; Rodrigues, C. L.; Faria, P. Neto de [Instituto de Física, Universidade de São Paulo, Caixa Postal 66318, CEP 05314-970, São Paulo, SP (Brazil); Cunsolo, A.; Cappuzzello, F.; Foti, A.; Agodi, C.; Cavallaro, M. [INFN - Laboratori Nazionali del Sud, Via S. Sofia 62, 95125 Catania (Italy); Napoli, M. di; Ukita, G. M. [Faculdade de Psicologia, Universidade de Santo Amaro, R. Prof. Eneas da Siqueira Neto, 340, CEP 04829-300, São Paulo, SP (Brazil)

    2014-11-11

    Several narrow alpha resonant {sup 16}O states were detected through the {sup 12}C({sup 6}Li,d) reaction, in the range of 13.5 to 17.5 MeV of excitation energy. The reaction was measured at a bombarding energy of 25.5 MeV employing the São Paulo Pelletron-Enge-Spectrograph facility and the nuclear emulsion technique. Experimental angular distributions associated with natural parity quasi-bound states around the 4α threshold are presented and compared to DWBA predictions. The upper limit for the resonance widths obtained is near the energy resolution (15 keV)

  5. Contribution to the study of excited levels of 7Be obtained from the reaction 6Li (p, α)

    The interpretation of the results of the reaction 6Li (p, α) in the energy range 100 keV to 3 MeV has been done with the next levels of 7Be : 3/2- (5,9 MeV), 3/2+ (6,2 MeV), 5/2- (7,18 MeV) and a level the characteristics of which may be 1/2+ or 4P (9,5 MeV). (author)

  6. Application of a 6LiF small neutron detector with an optical fiber to tritium production rate measurement in D-T neutron fields

    6LiF small neutron detectors with an optical fiber have been used to measure 6Li(n,α)T reaction rate distributions at thermal research reactors and accelerator facilities. In the present study, we developed an experimental method for the measurement of tritium production rate (TPR) of 6Li using this small detector in deuterium-tritium (D-T) neutron fields. Reaction rate measurements with the detector were conducted in the D-T neutron fields at the Fusion Neutronics Source (FNS) facility. From the results, we determined that this detector can be used to measure the TPR distribution in soft neutron spectrum fields such as in a Be assembly. It is difficult to obtain 6Li(n,α)T reaction rate separately in hard neutron spectrum fields such as in a Li2O assembly, because many kinds of charged particle production reactions need to be taken into consideration. However, a time-dependent reaction rate measurement method combined with the 6LiF detector and the ZnS detector is effective to separate the 6Li(n,α)T reaction from other reactions even in a hard spectrum field, and it can be applied to the measurement of the TPR distribution accurately. (author)

  7. Analysis of the normal optical, Michel and molecular potentials on the $^{40}$Ca($^6$Li, d)$^{44}$ Ti reaction

    MAZUMDER UTTAM K; SOMADDER ANOCK; HOQUE ENAMUL; HAQUE YASMEEN; DAS SUSANTA K; SEN GUPTA H M

    2016-06-01

    Full finite-range (FFR) distorted-wave Born approximation (DWBA) method has been applied to analyse the angular distributions of cross-sections of the $^{40}$Ca($^{6}$Li, d)$^{44}$Ti reaction at 28 MeV incident energy for the 22 transitions involving both the bound and unbound states of $^{44}$Ti byusing the normal optical, Michel and molecular potentials. The extracted spectroscopic factors for the three optical potentials are compared with those of some previous studies of zero-range (ZR) calculations of the$^{40}$Ca($^{6}$Li, d)$^{44}$Ti reaction using the normal optical potential. The $\\chi^{2}$ values of all the levels are obtained for the three optical potentials to estimate the quality of the fits. Molecular and Michel potentials have been used for the first time to analyse the four-nucleon transfer reaction and it seems that the molecular potential fits the experimental data more satisfactorily for some of the states than the normal optical and Michel potentials.

  8. Coulomb-nuclear interference with 6Li: Isospin character of the 21+ excitation in 70,72,74Ge

    Ratios of B(E2) to B(IS2), that is, of the reduced quadrupole transition probabilities related, respectively, to charge and mass were extracted through Coulomb-nuclear interference (CNI) for the excitation of the 21+ states in 70,72,74Ge, with a relative accuracy of less than 4%. For this purpose, the CNI angular distributions associated with the inelastic scattering of 28-MeV incident 6Li ions accelerated by the Sao Paulo Pelletron, and momentum analyzed by the Enge magnetic spectrograph were interpreted within the DWBA-DOMP approach (distorted wave approximation for the scattering process and deformed optical model for the structure representation) with global 6Li optical parameters. The present CNI results demonstrate an abrupt change in the B(E2)/B(IS2) ratio for 74Ge: although for 70,72Ge, values of the order of 1.0 or slightly higher were obtained, this ratio is 0.66 (7) for 74Ge. The heavier Ge isotope is thus one of the few nuclei that, so far, have been shown to present clear mixed symmetry components in their ground-state band

  9. Low energy R-matrix fits for the 6Li(d,a)4He S factor

    Grineviciute, J; Lamia, L; Spitaleri, C; La Cognata, M

    2014-01-01

    Background: The information about the 6Li(d,a)4He reaction rates of the astrophysical interest can be obtained by extrapolating direct data to the lower energies, or by indirect methods. The indirect Trojan Horse method, as well as various R-matrix and polynomial fits to direct data, estimate the electron screening energies much larger than the adiabatic limit. Calculations that include the subthreshold resonance estimate smaller screening energies. Purpose: Obtain the 6Li(d,a)4He reaction R-matrix parameters and the astrophysical S factor for the energies relevant to the stellar plasmas by fitting the R-matrix formulas for the subthreshold resonances to the S factor data above 60 keV. Methods: The bare S factor is calculated using the single and the two-level R-matrix formulas for the closest to the threshold 0+ and 2+ subthreshold states at 22.2, 20.2 and 20.1 MeV. The electron screening potential Ue is then obtained by fitting it as a single parameter to the low energy data. Results: The low energy S facto...

  10. Theoretical study of the $\\alpha+d$ $\\rightarrow$ $^6$Li + $\\gamma $ astrophysical capture process in a three-body model

    Tursunov, E M; Turakulov, S A; Bray, I

    2016-01-01

    The astrophysical capture process $\\alpha+d$ $\\rightarrow$ $^6$Li + $\\gamma$ is studied in a three-body model. The initial state is factorized into the deuteron bound state and the $\\alpha+d$ scattering state. The final nucleus $^6$Li(1+) is described as a three-body bound state $\\alpha+n+p$ in the hyperspherical Lagrange-mesh method. The contribution of the E1 transition operator from the initial isosinglet states to the isotriplet components of the final state is estimated to be negligible. An estimation of the forbidden E1 transition to the isosinglet components of the final state is comparable with the corresponding results of the two-body model. However, the contribution of the E2 transition operator is found to be much smaller than the corresponding estimations of the two-body model. The three-body model perfectly matches the new experimental data of the LUNA collaboration with the help of the spectroscopic factor 2.586, very consistent with the three-body structure of the final state.

  11. Prospective conceptual qualification of hybrid centrifugation/distillatory for {sup 6}LI nuclear fusion technology scaled supply demands; Calificacion conceptual prospectiva de centrifugador/destilador hibrido para produccion de {sup 6}Li a demanda de la tecnologia Nuclear Fusion

    Sedano, L.; Herranz, J. L.; Casado, J. L.; Castro, P.; Xiberta, J.

    2013-07-01

    The change in the demand for exploitation of lithium as a resource appears during the last decade, related to the development of the ion-Li batteries market and with the requirements of Nuclear Fusion fuels (deuterium and lithium) as coming energy option. A prospective analysis of synergistic demands of both markets, in its technical and in its economic aspects appears of prospective interest. The civil market {sup 6}Li/{sup 7}Li enrichment demand is analyzed. Specific technological developments permitting on-line production according to demand is discussed. A [centrifugation /thermal diffusion / combined distillation] technique is selected and qualified as technologically viable option for scaled production of litiated-forms. A conceptual design of a production plant is finally proposed according to the new technical capability.

  12. New high S/N observations of the (6Li) /(7) Li blend in HD 84937 and two other metal-poor stars

    Cayrel, R.; Spite, M.; Spite, F.; Vangioni-Flam, E.; Cassé, M.; Audouze, J.

    1999-03-01

    High signal to noise ratio spectra have been obtained with the GECKO spectrograph at CFHT, at a spectral resolution of 100 000, for three metal-poor stars in order to obtain more accurate abundances of the very fragile element (6) Li. For two newly observed stars, BD +42 2667 and BD +36 2165 it appears that the first may have a detectable amount of (6) Li, whereas no (6) Li is found in the second one. The S/N ratio of only a few hundreds obtained for these two faint stars preclude however a firm conclusion. For the third star, the well known object HD84937, a very high S/N of 650 per pixel (over 1000 per resolved spectral element) was obtained, yielding greatly improved accuracy over previous determinations. A value of (6) Li / (7) Li = 0.052 +/- 0.019 (one sigma) is obtained. We also conclude that the no- (6) Li assumption is ruled out at the 95 per cent level, even in the most permissive case, when a variation of all the other free parameters (wavelength zero-point, continuum location, macroturbulent broadening, abundance of (7) Li) is allowed. The possibility that the (6) Li feature is an artifact due to a once suspected binarity of HD 84937 is discussed, with the conclusion that this assumption is ruled out by the extant data on the radial velocity of the object. The (6) Li abundance is compared with recent models of formation of the light elements Li, Be and B. This comparison shows that (6) Li is either undepleted, or only moderately depleted in HD 84937, from its initial value. Under the assumption that the atmospheric depletion of (6) Li and (7) Li in stars is by slow mixing with hot layers (underneath the convective zone), in which these elements can burn, we conclude that the depletion of (7) Li by this mechanism in HD 84937 is less than 0.1 dex. This new upper limit to the efficiency of the depletion of (7) Li by slow mixing burning, in a star located on the Spite plateau, leads to a more secure estimation of the primordial abundance of (7) Li. However

  13. AN UPDATED {sup 6}Li(p, {alpha}){sup 3}He REACTION RATE AT ASTROPHYSICAL ENERGIES WITH THE TROJAN HORSE METHOD

    Lamia, L.; Spitaleri, C.; Sergi, M. L. [Dipartimento di Fisica e Astronomia, Universita di Catania, I-95123 Catania (Italy); Pizzone, R. G.; Tumino, A.; La Cognata, M. [INFN-Laboratori Nazionali del Sud, I-95125 Catania (Italy); Tognelli, E.; Degl' Innocenti, S.; Prada Moroni, P. G. [Dipartimento di Fisica, Universita di Pisa, I-56127 Pisa (Italy); Pappalardo, L. [Dipartimento di Fisica e Scienze della Terra, Universita di Ferrara, I-44100 Ferrara (Italy)

    2013-05-01

    The lithium problem influencing primordial and stellar nucleosynthesis is one of the most interesting unsolved issues in astrophysics. {sup 6}Li is the most fragile of lithium's stable isotopes and is largely destroyed in most stars during the pre-main-sequence (PMS) phase. For these stars, the convective envelope easily reaches, at least at its bottom, the relatively low {sup 6}Li ignition temperature. Thus, gaining an understanding of {sup 6}Li depletion also gives hints about the extent of convective regions. For this reason, charged-particle-induced reactions in lithium have been the subject of several studies. Low-energy extrapolations of these studies provide information about both the zero-energy astrophysical S(E) factor and the electron screening potential, U{sub e} . Thanks to recent direct measurements, new estimates of the {sup 6}Li(p, {alpha}){sup 3}He bare-nucleus S(E) factor and the corresponding U{sub e} value have been obtained by applying the Trojan Horse method to the {sup 2}H({sup 6}Li, {alpha} {sup 3}He)n reaction in quasi-free kinematics. The calculated reaction rate covers the temperature window 0.01 to 2T{sub 9} and its impact on the surface lithium depletion in PMS models with different masses and metallicities has been evaluated in detail by adopting an updated version of the FRANEC evolutionary code.

  14. Development of antireflection coatings with a sup 6 LiF/ sup 6 sup 2 Ni multilayer converter for ultracold neutron detectors

    Maier-Komor, P; Bergmaier, A; Dollinger, G; Paul, S; Schott, W

    2002-01-01

    High efficiency detectors for ultracold neutrons (UCN) are needed at the new high flux neutron source, Forschungsreaktor Muenchen II. In the development described, silicon PIN diodes were chosen to detect the alpha-particles or the tritons created in the reaction sup 6 Li(n,alpha)t. The high reflectance of UCN on sup 6 Li with its positive optical potential must be compensated by a material with negative optical potential. The isotope sup 6 sup 2 Ni was chosen for this. To avoid problems due to chemical reactions of Li with humidity, the compound sup 6 LiF was chosen. One hundred and fifty double layers of sup 6 LiF/ sup 6 sup 2 Ni had to be deposited by physical vapor deposition on silicon PIN diodes which had already been coated with 88 nm approx 77 mu g/cm sup 2 of sup 5 sup 8 Ni for reflection of the UCN. The theoretical optimal thickness of the sup 6 sup 2 Ni layers is 3 nm, and that of sup 6 LiF is 6 nm. Since expensive isotopes were involved, a small source-to-substrate distance had to be used, but wit...

  15. Non-linearity of the high temperature peak area ratio of 6LiF:Mg,Ti (TLD-600)

    Thermoluminescent dosemeters of 6LiF:Mg,Ti (TLD-600) were exposed to high-energy heavy ion beams (He, C, Ne, and Ar) and 137Cs γ-rays and the glow curves were analyzed. The height of the main peak (peak 5) at about 200 deg. C slightly increased for He from γ-rays and decreased for heavier ions with increasing Linear Energy Transfer (LET). Whereas the high temperature peak (peak 7) area around 260 deg. C simply increased. Non-linearity was seen between the LET and the high temperature peak (peak 7) area ratio (HTR) which was calculated as the TL integrated over 225-275 deg. C from the peak 5 normalized glow curve. Based on these results, average LET and quality factor were estimated for an assumed LET spectra of space radiation by using the HTR method. Considerable differences were found between these estimations and true values

  16. Measurement of differential cross section for the 6Li(n,t)4He reaction by using gridded ionization chamber

    By using a gridded ionization chamber, the differential cross sections and angle integrated cross sections for the 6Li(n,t)4He reaction were measured at neutron energies of 3.67 and 4.42 MeV. The neutrons were produced through D(d,n)3He reaction by a deuteron gas target. Absolute neutron flux was determined through 238U(n,f) and H(n,p) reactions. At 3.67 MeV the differential cross section for triton is almost 90 degree symmetric but it is obviously forward peaked at 4.42 MeV in the center-of-mass reference system

  17. Characterization of charge-exchange collisions between ultracold $\\rm{^6Li}$ atoms and $\\rm{^{40}Ca^+}$ ions

    Saito, R; Sasakawa, M; Nakai, R; Raoult, M; Silva, H Da; Dulieu, O; Mukaiyama, T

    2016-01-01

    We investigate the energy dependence and the internal-state dependence of the charge-exchange collision cross sections in a mixture of $^6$Li atoms and $^{40}$Ca$^+$ ions in the collision energy range from 0.2 mK to 1 K. Deliberately excited ion micromotion is used to control the collision energy of atoms and ions. The energy dependence of the charge-exchange collision cross section obeys the Langevin model in the temperature range of the current experiment, and the measured magnitude of the cross section is correlated to the internal state of the $^{40}$Ca$^+$ ions. Revealing the relationship between the charge-exchange collision cross sections and the interaction potentials is an important step toward the realization of the full quantum control of the chemical reactions at an ultralow temperature regime.

  18. Contribution to the study of 8Be energy levels obtained during the reaction 6Li(d,α)α

    The reaction 6Li(d,α) is interpreted using the theory of Humblet and Rosenfeld. This theory is briefly reviewed and compared with that of Wigner. The intervention of the 4+ level, indicated in the study of the reaction 7Li(p,α), is suggested. A good fit to the experimental data is obtained assuming the level scheme (0+ 22.64 MeV), (4+ 22.82 MeV), (2+ 24.97 MeV). However the scheme proposed by Mani (22.5 MeV 2+; 24.0 MeV 0+; 25.2 MeV 2+) on the basis of the Wigner theory, cannot be rejected. (author)

  19. Investigation of the Triton Emission Asymmetry in the $^{6}$Li(n, alpha)$^{3}$H Reaction with Polarized Thermal Neutrons

    Gledenov, Yu M; Nesvizhevsky, V V; Petukhov, A K; Sedyshev, P V; Soldner, T; Shulgina, E V; Zimmer, O

    2002-01-01

    An experiment was carried out at the high-intensity polarized cold neutron beam of the PF1B instrument of the ILL reactor, Grenoble, France. As a detector, the 48-section ionization chamber with the ^{6}LiF targets was used. An integral (current) method of the event detection with compensation of the reactor power fluctuation was applied. Special measurement technique was used for minimization and estimation of the possible false effect contribution. A value of the P-odd (sigma_{\\bf n}, {\\bf P}_{\\bf n}) correlation has been obtained: alpha_{PN}=-(7.1\\pn 3.9)\\cdot 10^{-8}. At the base of the cluster model, the most accurate at present day estimation of the weak neutral current constant has been given: f_n \\leq 1.2\\cdot 10^{-7}.

  20. Complete and incomplete fusion cross sections for 6Li+209Bi reaction in multi-body classical molecular dynamical model

    Using the multi-body Classical Molecular Dynamics simulation of 6Li+209Bi reaction it is shown that: (i) the breakup of a projectile fragment near the barrier leads to substantial increase in the ICF probabilities; (ii) the expected increase in σCF on relaxation of the rigid-body (RB) constraint on the projectile is compensated by reduction in the flux leading to CF, due to ICF events; (iii) the breakup probability increases with ECM and, for given ECM it also increases as b increases and peaks around some b>0, while cross sections σCF and σTF were calculated for b=0 only Therefore, we present the results of σCF (Complete Fusion) and σTF (Total Fusion) calculations which are obtained at critical impact parameter, bcr, where many ICF channels open up and compare with the calculations performed at b=0 only, where only few ICF channels open up

  1. A point fusion reactor kinetics model admitting fuel and chain link balance conditions; the P-6Li case

    A set of coupled first-order non-linear differential equations that describe the kinetic behavior of the fusion carrier, fuel and chain link ion densities of a self-sustaining nuclear fusion multiplicative chain is obtained. This model is used to study the stability of the low and high-order P-6Li cycle by means of Liapunov's direct method. The low-order cycle turns out to be asymptotically stable whereas the results for the high-order cycle are inconclusive. Solutions were obtained in the linear approximation for devices working at constant fuel density and constant operating temperature. These solutions confirm the asymptotic stability of the low-order cycle and suggest possible fusion excursions for the high-order cycle. (orig.)

  2. 6Li-loaded directionally sensitive anti-neutrino detector for possible geo-neutrinographic imaging applications

    Tanaka, H. K. M.; Watanabe, H.

    2014-04-01

    Despite the latent and unique benefits of imaging uranium and thorium's distribution in the earth's interior, previously proposed experimental techniques used to identify the incoming geo-neutrino's direction are not applicable to practical imaging due to the high miss-identification in a neutrino's track reconstruction. After performing experimental studies and Monte-Carlo simulations, we confirmed that a significant improvement is possible in neutrino tracking identification with a 6Li-loaded neutrino detector. For possible imaging applications, we also explore the feasibility of producing geo-neutrinographic images of gigantic magmatic reservoirs and deep structure in the mantle. We anticipate and plan to apply these newly designed detectors to radiographic imaging of the Earth's interior, monitoring of nuclear reactors, and tracking astrophysical sources of neutrinos.

  3. Magnetic control of ultra-cold $^6$Li and $^{174}$Yb($^3P_2$) atom mixtures with Feshbach resonances

    Petrov, Alexander; Kotochigova, Svetlana

    2015-01-01

    We theoretically evaluate the feasibility to form magnetically-tunable Feshbach molecules in collisions between fermionic $^6$Li atoms and bosonic metastable $^{174}$Yb($^3$P$_2$) atoms. In contrast to the well-studied alkali-metal atom collisions, collisions with meta-stable atoms are highly anisotropic. Our first-principle coupled-channel calculation of these collisions reveals the existence of broad Feshbach resonances due to the combined effect of anisotropic-molecular and atomic-hyperfine interactions. In order to fit our predictions to the specific positions of experimentally-observed broad resonance structures \\cite{Deep2015} we optimized the shape of the short-range potentials by direct least-square fitting. This allowed us to identify the dominant resonance by its leading angular momentum quantum numbers and describe the role of collisional anisotropy in the creation and broadening of this and other resonances.

  4. Nuclear structure with accurate chiral perturbation theory nucleon-nucleon potential: Application to 6Li and 10B

    Navratil, P; Caurier, E

    2003-10-14

    The authors calculate properties of A = 6 system using the accurate charge-dependent nucleon-nucleon (NN) potential at fourth order of chiral perturbation theory. By application of the ab initio no-core shell model (NCSM) and a variational calculation in the harmonic oscillator basis with basis size up to 16 {h_bar}{Omega} they obtain the {sup 6}Li binding energy of 28.5(5) MeV and a converged excitation spectrum. Also, they calculate properties of {sup 10}B using the same NN potential in a basis space of up to 8 {h_bar}{Omega}. The results are consistent with results obtained by standard accurate NN potentials and demonstrate a deficiency of Hamiltonians consisting of only two-body terms. At this order of chiral perturbation theory three-body terms appear. It is expected that inclusion of such terms in the Hamiltonian will improve agreement with experiment.

  5. Study of the {sup 6}Li + p → {sup 3}He + {sup 4}He reaction in inverse kinematics

    Betsou, C.; Pakou, A.; Aslanoglou, X.; Nicolis, N.G.; Sgouros, O.; Soukeras, V. [The University of Ioannina, Department of Physics and HINP, Ioannina (Greece); Cappuzzello, F. [Laboratori Nazionali del Sud, INFN, Catania (Italy); Universita di Catania, Dipartimento di Fisica e Astronomia, Catania (Italy); Acosta, L. [Universidad Nacional Autonoma de Mexico, Instituto de Fisica, Mexico Distrito Federal (Mexico); INFN, Catania (Italy); Agodi, C.; Carbone, D.; Cavallaro, M.; Di Pietro, A.; Fernandez-Garcia, J.P.; Figuera, P.; Fisichella, M. [Laboratori Nazionali del Sud, INFN, Catania (Italy); Foti, A. [Universita di Catania, Dipartimento di Fisica e Astronomia, Catania (Italy); INFN, Catania (Italy); Keeley, N. [National Centre for Nuclear Research, Otwock (Poland); Marquinez-Duran, G.; Martel, I. [Universidad de Huelva, Departamento de Fisica Aplicada, Huelva (Spain); Mazzocco, M.; Strano, E.; Torresi, D. [Universita di Padova, Departimento di Fisica e Astronomia, Padova (Italy); INFN, Padova (Italy); Pierroutsakou, D. [INFN, Napoli (Italy); Rusek, K. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); Stiliaris, E. [University of Athens, Institute of Accelerating Systems and Applications and Department of Physics, Athens (Greece)

    2015-07-15

    Angular distribution measurements were performed for the {sup 6}Li + p → {sup 3}He + {sup 4}He reaction in inverse kinematics at incident energies of 2.7, 3.3, 4.2 and 4.8 MeV/u. The detection of both recoils ({sup 3}He and {sup 4}He) over the laboratory angle range θ{sub lab} = 16 {sup circle} to 34 {sup circle} allowed the determination of the angular distribution over a wide angular range in the center-of-mass frame (θ{sub c.m.} ∝ 40 {sup circle} to 140 {sup circle}). The results clarify inconsistencies between existing data sets and are consistent with compound nucleus model calculations. (orig.)

  6. Search for the signature of a halo structure in the p(6He,6Li)n reaction

    The elastic scattering p(6He,6He)p and charge exchange reaction p(6He,6Li)n have been measured in reverse kinematics with a secondary 6He beam. The angular distributions for these reactions were obtained. In the case of the charge exchange reaction, the ratio of the cross section for the Gamow-Teller transition to the ground state, and for the Fermi transition to the isobaric analog state is a measure of the relative strength of the two components of the exchange interaction. This ratio is found compatible with existing systematics for stable T=1 nuclei, and no clear signature of a halo structure was found in the present data. (author)

  7. Differential cross section measurements for the 6Li(n,t)alpha reaction in the few MeV region

    Devlin, Matthew J [Los Alamos National Laboratory; Taddeucci, Terence N [Los Alamos National Laboratory; Hale, Gerald M [Los Alamos National Laboratory; Haight, Robert C [Los Alamos National Laboratory; O' Donnell, Johhn M [Los Alamos National Laboratory

    2008-01-01

    New measured differential cross sections of tritons and alpha particles following the {sup 6}Li(n,t){alpha} reaction are reported for incident neutron energies between 0.2 and approximately 20 MeV. The neutrons were produced by spallation at the WNR facility at the Los Alamos Neutron Science CEnter (LANSCE), with the incident neutron energy determined by the time-of-flight method. Four E-{Delta}E telescopes were used at eight laboratory angles. These data have been incorporated into a prior R-matrix fit for the compound {sup 7}Li system, and result in an (n,t) reaction cross section that is 4% to 10% higher than previous evaluations in the 1-3 MeV incident neutron energy region.

  8. Kinematically complete measurements of the break-up of 6Li using the magnetic spectrograph 'Little John'

    This report describes set-up and application of an extended detection system for the magnetic spectrograph 'Little John'. The set-up is used in experiments of the Coulomb induced break-up of 6Li into α-particles and deuterons at the Karlsruhe Isochronous Cyclotron for the detection of both coincidence fragments. In first measurements the properties of the detection system are explored. It is shown that the extension provides an increased efficiency, simultaneously maintaining the angular resolution. This is achieved by a direct measurement of both particle trajectories and by an off-line subdivision of the solid angle acceptance. The differential cross sections obtained in this way are in a good agreement with known results and are completing the experimental information. (orig.)

  9. Angular anisotropy in the 6Li(n,α)3H reaction at 25 keV

    The angular anisotropy in the 6Li(n,α)3H reaction at 25 keV has been measured in two sets of experiments performed at an iron-filtered beam facility (99 percent of the flux at 25 keV) at the NBS Reactor. First, a surface-barrier detector coated with 80 μg/cm-2 of 6LiF (front face) was used as a 2π detector. This detector was placed in four different angular positions with respect to the neutron beam: front face at 900 and 450 to the beam; back face at 900 and 450 to the beam. The pulse-height distributions of both the 3H and 4He were recorded for these four positions yielding a forward-to-backward asymmetry of 1.59 +- 0.11 in the center-of-mass system. A second detector was placed coaxially with the first (at 900 to the beam) and in such a way as to substend a 450 cone. Coincidence measurements, that simultaneously recorded the distributions in both detectors, yielded an asymmetry in the backward-to-forward 450 cone of 1.80 +- 0.06 in the center-of-mass system. The existence of such a large anisotropy at this low energy and the possibility of similar behavior at still lower energies (i.e., 1 to 2 keV) should result from s--p wave interference. This would give rise to a constant anisotropy that is experimentally masked by the 1/v behavior of the isotropic s--s interference terms at lower energies. 5 figures, 1 table

  10. The preparation and characterisation of 6LiF and 10B reference deposits for the measurement of the neutron lifetime

    In beam experiments, the achievement of an accurate neutron lifetime measurements depends heavily on the use of well characterised boron and/or lithium reference deposits to assess the neutron density. Sets of 6LiF and 10B reference deposits on silicon wafers were prepared by vacuum deposition using planetary rotating substrate holders. The uniformity of deposition was investigated using visible light spectrophotometry and accurate dimensional characterisation was carried out on the basis of travelling microscope and Talistep measurements. The results obtained agreed well with theoretical calculations based on the geometry of the evaporation system. The deposits prepared in successive evaporation runs were then characterised by neutron induced charged particle measurements, calibrated by isotope dilution mass spectrometry. 6Li and 10B surface densities are certified with accuracies of 0.35-0.50% and 0.30-0.41%, respectively. An intercomparison of the 6Li and 10B calibrations confirms the consistency of the measurements. (orig.)

  11. A method for investigation of the D(4He, γ)6Li reaction in the Ultralow energy region under a high background

    Bystritsky, V. M.; Dudkin, G. N.; Krylov, A. R.; Gazi, S.; Huran, J.; Nechaev, B. A.; Padalko, V. N.; Sadovsky, A. B.; Tuleushev, Yu. Zh.; Filipowicz, M.; Philippov, A. V.

    2016-07-01

    The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of 7Li is 2-4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of 6Li, recent more accurate optical investigations have yielded only the upper limit on the 6Li/7Li ratio, which makes the problem of 6Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D(4He, γ)6Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D(4He, γ)6Li reaction proceeding in zirconium deuteride at the incident 4He+ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D(4He, 4He)D→D(D, n)3He→(n, γ) and/or (n, n‧γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D(4He, γ)6Li reaction cross section σ≤7·10-36 cm2 at the 90% confidence level is obtained.

  12. Second-class currents and the muon neutrino rest mass in the muon capture processes by 6Li and 3He nuclei

    The influence of second class currents (SCC) and that of the muon neutrino rest mass (mνμ) on the differential muon capture rate by the 6Li and 3He, and on the angular asymmetry coefficient (aμν) of the neutrino emission direction with respect to the muon spin orientation, is investigated. It is shown that the experimental study of aμν may give an efficient estimation for mνμ and for SCC form factors FT (in the case of 6Li and 3He) and FS (in the case of 3He). 26 refs

  13. The non-statistical population of the 11.10 MeV 4+ state in 16O by 12C(6Li, d)

    When compound nucleus calculations are normalized to the 13.88 MeV 4+12C(6Li,d)16O cross section it is found that the population of the 11.10 MeV 4+ state is underpredicted by a factor of four. These results mean that the anomalous population of the 11.10 MeV 4+ state in 16O by the 12C(6Li,d) reaction is not compound nuclear in origin

  14. HOTSPUR progress report: neutron source spectrum characterization, and 6Li(n,xα) and 7Li(n,xα) cross section determination

    As a prerequisite to high accuracy measurements involving the bulk configuration of 6LiD we must have a good grasp of the details of the RTNS-I neutron source energy spectrum. Experiments to this end involving neutron yield vs deuteron energy, ratios of foil activation of selected elements, and pulse height distributions of a Si surface barrier detector are described. With this knowledge, the 4He-production cross sections for 6Li and 7Li are found experimentally to be 0.512b and 0.336b, respectively, at anti E/sub N/ = 15.0 MeV in free-field geometry. 14 references

  15. In situ NMR analysis of fluids contained in sedimentary rock

    de Swiet TM; Tomaselli; Hurlimann; Pines

    1998-08-01

    Limitations of resolution and absorption in standard chemical spectroscopic techniques have made it difficult to study fluids in sedimentary rocks. In this paper, we show that a chemical characterization of pore fluids may be obtained in situ by magic angle spinning (MAS) nuclear magnetic resonance (NMR), which is normally used for solid samples. 1H MAS-NMR spectra of water and crude oil in Berea sandstone show sufficient chemical shift resolution for a straightforward determination of the oil/water ratio. Copyright 1998 Academic Press. PMID:9716484

  16. Quasi-bound alpha resonant states populated by the {sup 12}C({sup 6}Li, d) reaction

    Rodrigues, M.R.D.; Borello-Lewin, T.; Miyake, H.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica; Cunsolo, A.; Cappuzzello, F.; Foti, A.; Agodi, C.; Cavallaro, M. [Istituto Nazionale di Fisica Nucleare (LNS/INFN), Catania (Italy). Lab. Nazionali del Sud; Ukita, G.M. [Universidade de Santo Amaro (UNISA), Sao Paulo, SP (Brazil). Faculdade de Psicologia

    2012-07-01

    Full text: The alpha cluster phenomenon in the light nuclei structure has been the subject of a long time investigation since the proposal of the Ikeda diagrams [1]. The main purpose of the research program in progress is the investigation of this phenomenon in (x{alpha}) and (x{alpha}+n) nuclei through the ({sup 6}Li, d) alpha transfer reaction [2-4]. Alpha resonant states around the (4{alpha}) threshold in the nucleus {sup 16}O are the focus of the present contribution. In fact, the importance of these resonances at the elements production in stars is recognized, as primarily pointed out by Hoyle in {sup 12}C [6]. The existence of a rotational band with the {alpha} +{sup 12} C (Hoyle) cluster state structure was recently demonstrated by Ohkubo and Hirabayashi [6]. In order to explore this region of interest, measurements of the {sup 12}C({sup 6}Li, d){sup 16}O reaction up to 17 MeV of excitation at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique (plates Fuji G6B, 50 {mu}m thick). Spectra associated with six scattering angles, from 5 deg to 29 deg in the laboratory frame, each one 50 cm along the focal surface, were measured. Several narrow resonances with a quasi-bound behavior embedded in the continuum were detected and the resolution of 25 keV allowed for the separation of doublets not resolved before [7,8]. The absolute cross sections and the respective deuteron angular distributions were determined and the analysis is in progress. [1] K. Ikeda et al., Prog. Theor. Phys. Suppl. E 68, 464 (1968); H. Horiuchi, K. Ikeda, and Y. Suzuki, ibid. 44, 225 (1978). [2] M.R.D.Rodrigues et al., in12th International Conference on Nuclear Reaction Mechanism, Varenna, Italy, edited by F. Cerutti and A. Ferrari , CERN Proceedings, 2010-2, pp. 331- 335. [3] T. Borello-Lewin et al., Proceedings of SOTANCP2, Brussels, Belgium 2010, edited by P. Descouvemount et al., Int. J

  17. Multi-elemental characterization of organic liquid samples by use of a 13 MeV {sup 6}Li{sup 3+} beam

    Liendo, J.A., E-mail: jliendo@usb.v [Department of Physics, Simon Bolivar University, PO Box 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of); Bernal, M.A., E-mail: mbernal@usb.v [Department of Physics, Simon Bolivar University, PO Box 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of); Gonzalez, A.C. [Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas, Caracas (Venezuela, Bolivarian Republic of); Caussyn, D.D.; Fletcher, N.R.; Momotyuk, O.A. [Department of Physics, Florida State University, Tallahassee (United States); Muruganathan, R.M. [Department of Chemistry, Florida State University, Tallahassee (United States); Roeder, B.T.; Wiedenhoever, I. [Department of Physics, Florida State University, Tallahassee (United States); Fischer, T. [Department of Chemistry, Florida State University, Tallahassee (United States); Kemper, K.W.; Barber, P. [Department of Physics, Florida State University, Tallahassee (United States); Sajo-Bohus, L. [Department of Physics, Simon Bolivar University, PO Box 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of)

    2009-10-15

    Evaporated amniotic fluid (AF) targets have been bombarded with a 13 MeV {sup 6}Li{sup 3+} beam. Forward angle data have served to identify the {sup 1}H({sup 6}Li,{sup 1}H){sup 6}Li reaction as an alternative for hydrogen characterization of such organic samples. Detected {sup 6}Li ions elastically scattered from C, N, O, Na and Cl can also be used to determine the concentrations of these elements in AF. The analyzed AF samples have been diluted with distilled water. The effect of sample dilution on the improvement of spectrum energy resolution has been observed, confirming previous reports. The hydrogen concentration determined in the studied AF targets is shown to vary linearly with sample dilution. Two detector arrangements have been used to find out which detection scheme is the most convenient. The combination of a counter telescope and a single detector, set up at the same polar angle on the opposite side of the beam, seems to be the best choice to have a reliable particle identification and an adequate energy resolution simultaneously.

  18. Study of the reactions 9Be(p, α)6Li, 9Be(p,d)8Be from 300 keV to 900 keV

    The experimental results concerning the two reactions 9Be(p,α)6Li and 9Be(p,d)8Be from 300 to 900 keV are presented. The angular distribution, excitation and total cross-section curves are expressed in absolute values after a normalization carried out using results given by Weber, Davis and Marion. (authors)

  19. Improved neutron-gamma discrimination for a 6Li-glass neutron detector using digital signal analysis methods

    A 6Li-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 104. The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a1, b0) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods

  20. Improved neutron-gamma discrimination for a (6)Li-glass neutron detector using digital signal analysis methods.

    Wang, C L; Riedel, R A

    2016-01-01

    A (6)Li-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 10(4). The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a1, b0) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods. PMID:26827314

  1. Improved neutron-gamma discrimination for a 6Li-glass neutron detector using digital signal analysis methods

    Wang, C. L.; Riedel, R. A.

    2016-01-01

    A 6Li-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 104. The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a1, b0) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods.

  2. Investigation of the antiprotonic X-ray spectrum of the lithium isotopes 6Li and 7Li

    Antiprotons of the low-energy separated anti p-beam K23 at CERN in Geneva have been stopped in thin (0.6 g/cm2) targets of the Lithium isotopes 6Li and 7Li. The characteristic X-rays of the formed antiprotonic atoms were measured with four identical high-resolution Si (Li) detectors. Three lines of the N- series, four lines of the M-series and the 3d-2p transition of the Balmer series were observed. The measured relative intensities of the M- and N-series transitions are well described by the simple cascade model of Eisenberg and Kessler. The 3d-2p transition is considerably influenced by the strong interaction between antiproton and nucleus and thus drastically reduced in intensity. The analysis of this transition yields the shift and width of the 2p level, whereas the width of the 3d level is deduced from intensity considerations. (orig./HSI)

  3. BSS/6LiI response matrix to neutrons from 2.5E(-8) to 100 MeV

    Using Monte Carlo methods the response matrix of a Bonner sphere spectrometer was calculated. As thermal neutron detector a 0.4 cm x φ 0.4 cm 6 Li I was utilized. The response functions were calculated for 0, 2, 3, 5, 8, 10, and 12 inches-diameter polyethylene spheres. Twenty three monoenergetic neutron sources ranging from 2.50 E(-8) to 100 MeV were used and the resulting response functions were interpolated to 51 neutron energies. These were compared with a matrix response reported in the literature that was previously scaled by a factor that make corrections for the scintillator features utilized in this study and the response matrix reported in the literature. In this comparison both response matrices are in agreement. The main differences were found in the bare detector case, these are attributed to the differences in the irradiation conditions and cross sections libraries utilized in both studies. For the other detectors the differences are due to the cross sections. (Author)

  4. Hypernuclear production cross section in the reaction of 6Li + 12C at 2A GeV

    C. Rappold

    2015-07-01

    Full Text Available Hypernuclear production cross sections have been deduced for the first time with induced reaction of heavy ion beam on fixed target and by means of the invariant mass method by the HypHI Collaboration exploiting the reaction of 6Li + 12C at 2A GeV or sNN=2.70 GeV. A production cross section of 3.9±1.4 μb for 3ΛH and of 3.1±1.0 μb for 4ΛH respectively in the projectile rapidity region was inferred as well as the total production cross section of the Λ hyperon was measured and found to be equal to 1.7±0.8 mb. A global fit based on a Bayesian approach was performed in order to include and propagate statistical and systematic uncertainties. Production ratios of 3ΛH/4ΛH, 3ΛH/Λ and 4ΛH/Λ were included in the inference procedure. The strangeness population factors S3 and S4 of 3ΛH and 4ΛH respectively were extracted. In addition, the multiplicities of the Λ hyperon, 3ΛH, and 4ΛH together with the rapidity and transversal momentum density distributions of the observed hypernuclei were extracted and reported.

  5. Improved neutron-gamma discrimination for a {sup 6}Li-glass neutron detector using digital signal analysis methods

    Wang, C. L., E-mail: wangc@ornl.gov; Riedel, R. A. [Instrument and Source Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2016-01-15

    A {sup 6}Li-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 10{sup 4}. The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a{sub 1}, b{sub 0}) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods.

  6. Novel 4{pi} Detection System for the Measurement of the {sup 6}Li(n,{alpha}){sup 3}H Reaction Cross Section

    Giorginis, Georgios; Bencardino, Raffaele [European Commission, Joint Research Centre, Institute for Reference Materials and Measurements (IRMM), Retieseweg 111, B-2440 Geel (Belgium)

    2011-12-13

    A dedicated one-dimensional Time Projection Chamber (1D-TPC) was designed and produced at IRMM to determine the {sup 6}Li(n,{alpha}){sup 3}H cross section in the 0.4-2.8 MeV energy range, aiming at 5% accuracy. The basic TPC components were a twin gridded ionisation chamber (GIC) with interwired electrodes and fast digitisation of the anode and cathode signals. The energy of both reaction products emitted from a thin {sup 6}LiF sample at the common TPC cathode was measured. A Kr(97%)CO{sub 2}(3%) mixture was used as the detector gas at a pressure up to 3.5 bar. A {sup 238}U sample mounted on the cathode of an ionisation chamber without grid was used as the neutron flux monitor. Special care was taken to reduce the experimental sources of uncertainty. The beam-monitor {sup 238}U sample was characterised at IRMM by low-geometry {alpha}-counting with an accuracy of 0.1%. A {sup 6}Li sample was produced at IRMM by vacuum evaporation of {sup 6}LiF onto transparent aluminium backing. The number of {sup 6}Li atoms will be measured via Thermal Neutron Depth Profiling with an expected accuracy of 2% with respect to an IRMM Standard Reference Material. First test measurements were performed using a monoenergetic neutron beam produced by the T(p,n){sup 3}He reaction at the IRMM 7 MV Van de Graaff accelerator. The experimental method and preliminary results are presented.

  7. Functions of MgH2 in hydrogen storage reactions of the 6LiBH4-CaH2 reactive hydride composite.

    Zhou, Yifan; Liu, Yongfeng; Zhang, Yu; Gao, Mingxia; Pan, Hongge

    2012-08-28

    A significant improvement of hydrogen storage properties was achieved by introducing MgH(2) into the 6LiBH(4)-CaH(2) system. It was found that ~8.0 wt% of hydrogen could be reversibly stored in a 6LiBH(4)-CaH(2)-3MgH(2) composite below 400 °C and 100 bar of hydrogen pressure with a stepwise reaction, which is superior to the pristine 6LiBH(4)-CaH(2) and LiBH(4) samples. Upon dehydriding, MgH(2) first decomposed to convert to Mg and liberate hydrogen with an on-set temperature of ~290 °C. Subsequently, LiBH(4) reacted with CaH(2) to form CaB(6) and LiH in addition to further hydrogen release. Hydrogen desorption from the 6LiBH(4)-CaH(2)-3MgH(2) composite finished at ~430 °C in non-isothermal model, a 160 °C reduction relative to the 6LiBH(4)-CaH(2) sample. JMA analyses revealed that hydrogen desorption was a diffusion-controlled reaction rather than an interface reaction-controlled process. The newly produced Mg of the first-step dehydrogenation possibly acts as the heterogeneous nucleation center of the resultant products of the second-step dehydrogenation, which diminishes the energy barrier and facilitates nucleation and growth, consequently reducing the operating temperature and improving the kinetics of hydrogen storage. PMID:22842399

  8. Compact NMR

    Bluemich, Bernhard; Haber-Pohlmeier, Sabina; Zia, Wasif [RWTH Aachen Univ. (Germany). Inst. fuer Technische und Makromolekulare Chemie (ITMC)

    2014-06-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  9. Compact NMR

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  10. Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

    Hwang, Son-Jong; Bowman, Robert C., Jr.; Kim, Chul; Zan, Jason A.; Reiter, Joseph W.

    2011-01-01

    Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of ^(11)B MAS NMR in studies of metal borohydrides (BH_4) is mainly focused, revisiting the issue of dodecaborane formation and observation of ^(11)B{^1H} Nuclear Overhauser Effect.

  11. Characterizing polymorphism by solid-state NMR, X-ray powder diffraction and factor analysis

    Urbanová, Martina; Brus, Jiří; Šeděnková, Ivana; Brusová, H.; Kobera, Libor

    Göteborg : University of Göteborg, 2009. s. 111. [Euromar 2009 - Magnetic Resonance Conference. 05.07.2009-09.07.2009, Göteborg] R&D Projects: GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Keywords : MAS NMR * atorvastatin * NMR crystallography Subject RIV: CD - Macromolecular Chemistry

  12. Characterization of {sup 6}LiF:Mg,Cu,P (TLD-600 H) estimate of E, b and s parameters

    Andres, P. A., E-mail: andresp@cab.cnea.gov.ar [Centro Atomico Bariloche, Division Proteccion Radiologica / CNEA, Av. E. Bustillo Km 9.5, R8402AGP San Carlos de Bariloche (Argentina)

    2015-10-15

    LiF:Mg,Cu,P dosemeters are useful for low-dose measurements because of its high sensitivity compared to the LiF:Mg,Ti dosemeters. {sup 7}LiF:Mg,Cu,P have been used for environmental dosimetry in Bariloche Atomic Centre for almost a decade. Since {sup 6}LiF:Mg,Cu,P dosemeters were intended to be used for X ray diagnosis dosimetry in neonatology, they had to be characterized first. The main goal of measuring and analyzing Tl glow curves is the extraction of some parameters that can be used to describe the Tl process in the material. This job focused on the estimation of the activation energy E for the Tl traps, the frequency factor s and the order of kinetics b of the Tl process. Furthermore, the most appropriate time-temperature profile (Ttp) was determined as well as the annealing temperature and time, which resulted being 240 degrees C for 10 minutes. The Ttp used was 140 degrees C for 10 seconds, a heating rate of 20/s until 240 degrees C, remaining at this temperature for 20 seconds, and then an exponential cooling until 50 degrees C. After applying the whole glow-peak method for different orders of kinetic, and the Kitis equation assuming a first order kinetics, the values obtained were: E = (1.066 ± 0.025) eV, as a weighted average of both methods, and a frequency factor s = (3.57 ± 1.56) E-10 s{sup -1} again as a weighted average of both methods. In both cases a first order kinetics (b = 1) was assumed. The dosemeters were irradiated with a calibrated {sup 137}Cs source and read with a Harshaw TLD{sup TM} Model 3500 reader resulting in a minimum detectable dose of about 20 μGy. (Author)

  13. Examination of the Coulomb-nuclear interference in inelastic scattering of {sup 6}Li in {sup 76}Ge; Exame da interferencia Coulombiana-Nuclear no espalhamento inelastico de {sup 6}Li em {sup 76}Ge

    Zhang, Xinxin

    2015-07-01

    The inelastic scattering of 28,0 MeV {sup 6}Li on {sup 76}Ge in the excitation of the 2{sup +}{sub 1} state, has been studied with the Coulomb-Nuclear Interference (CNI) analysis. The data were measured at the Pelletron-Enge-Spectrograph facility at LAFN-IFUSP. A solid-state position sensitive silicon detector (PSD) (500μm thickness and 47 × 8 mm{sup 2} area) was used to measure the data at the spectrometer focal plane. Digital pulse processing (DPP) was implemented in the acquisition system. Twenty-six spectra were measured at carefully chosen scattering angles in the range of 10 deg ≤ θ{sub Lab} ≤ 55 deg to obtain an angular distribution. The analysis was performed with the Distorted Wave Born Approximation (DWBA) and applied for the nuclear transition potential, the Deformed Optical Potential Model (DOMP), under well-established global optical parameters. The fit of the predicted cross sections to the experimental data through χ{sup 2} minimization, using the iterative method of Gauss, allowed for the extraction of the correlated parameters, δ{sup N}{sub 2}, the mass deformation length, and C{sub 2} = Ν{sup C}{sub 2}/δ{sup N}{sub 2}, the ratio between charge and mass deformation lengths. The correlated parameters obtained in the present work were C{sub 2} = 1,101 (20) and δ{sup N}{sub 2} = 1,08(21)fm. Statistical tests, through a Monte Carlo simulation of 5000 new data sets, validated the method employed in the correlated parameters fit. The methodology applied for the CNI analysis allowed the extraction of ratio B(EL)/B(ISL), which is proportional to the square of C{sub 2}, with a good precision due to the scale uncertainties cancellation of the absolute cross sections. The values of B(IS2) and of the ratios B(E2)/B(IS2) obtained in the present work have not been reported before and allow the study of the evolution of the collectivity throughout the even-A germanium chain together with former results obtained for the {sup 70},{sup 72},{sup 74}Ge

  14. Characterization of the CRNA Bonner sphere spectrometer based on {sup 6}LiI scintillator exposed to an {sup 241}Am-Be neutron source

    Mazrou, Hakim [Centre de Recherche Nucleaire d' Alger (CRNA), 02 Boulevard Frantz Fanon, B.P. 399, 16000 Alger (Algeria)], E-mail: mazrou_h@comena-dz.org; Sidahmed, Tassadit; Idiri, Zahir; Lounis-Mokrani, Zohra; Bedek, Said [Centre de Recherche Nucleaire d' Alger (CRNA), 02 Boulevard Frantz Fanon, B.P. 399, 16000 Alger (Algeria); Allab, Malika [Faculte de Physique, Universite des Sciences et de la Technologie Houari-Boumediene (USTHB), Alger (Algeria)

    2008-02-15

    In the present work, measurements have been performed using an available multisphere neutron spectrometer based on a calibrated {sup 6}LiI scintillation detector (10mmox2mm) exposed to an {sup 241}Am-Be neutron source. Sensitive analysis has been performed to assess influence of angle and source-detector distances dependence on the detector responses. Our experimental responses were compared with the published experimental and calculated data for two {sup 241}Am-Be (ISO, PTB) neutron spectra with (4mmox4mm) {sup 6}LiI detector. A discrepancy by a factor of about two was achieved and it is chiefly due to the difference shown in active surface of both detectors.

  15. Alpha-spectroscopic factors from (d,6Li) and (3He,7Be) reactions on 12C,24Mg,40Ca and 58Ni

    An attempt has been made to compare the alpha-spectroscopic factors (Ssub(α)) resulting from (d,6Li) and (3He,7Be) reactions on 12C,24Mg,40Ca and 58Ni employing potentials characterizing the same potential family for the deuteron and for the 3He-channels and another set of potentials characterizing a particular potential family for 6Li and 7Be-channels respectively. It is found that the extracted spectroscopic factors for 12C,24Mg and 40Ca agree well, while that for the target 58Ni differs by an order of magnitude from the other two reactions. A possible reason has been discussed. (author)

  16. Trojan horse particle invariance studied with the 6Li(d,α)4He and 7Li(p,α)4He reactions

    The Trojan horse nucleus invariance for the binary reaction cross section extracted from the Trojan horse reaction was tested using the quasifree 3He(6Li,αα)H and 3He(7Li,αα)2H reactions. The cross sections for the 6Li(d,α)4He and 7Li(p,α)4He binary processes were extracted in the framework of the plane wave approximation. They are compared with direct behaviors as well as with cross sections extracted from previous indirect investigations of the same binary reactions using deuteron as the Trojan horse nucleus instead of 3He. The very good agreement confirms the applicability of the plane wave approximation which suggests the independence of the binary indirect cross section on the chosen Trojan horse nucleus, at least for the investigated cases.

  17. Space distributions and decay probability for excited state of 7Li*(7,45 MeV) in reaction 7Li(alpha, alpha6Li)n

    Differential cross-sections of excitation and decay of 7Li*(7,45 MeV) resonance into 6Li + n channel in three particle reaction 7Li(alpha, alpha6Li)n at alpha-particle energy of 27,2 MeV have been determined in kinematically complete and incomplete experiments. Usage of position sensitive detector made it possible to obtain the data on space distributions of decay events for full range of possible angles and to determine the total probability of this process, which value essentially differs from the data for binary reactions. This result is agreed with previously obtained [1] and confirms the theoretical calculations [2] of decay branching ratio for short lived near-threshold resonances in three particle reactions

  18. The measurement of tritium produced in a 6LiD sphere irradiated by neutrons from D-D and 252Cf

    In a 6LiD sphere irradiated by neutrons from D-D and 252Cf, tritium production rate and tritium production distribution were measured with 6LiI(Eu) scintillation detector. The measurement shows that the tritium production rate is 0.98 +- 0.05 with 252Cf neutrons and the average tritium production rate is 0.96 +- 0.07 with D-D neutrons. Moreover, the two dimensional measurement particle identification technique was used. The result shows that the measured value of tritium production rate is in accord with the theoretical calculating one within the experimental error range while in the areas of various radius, the tritium production distributions are different from each other. The experimental results can be used for correcting the group constant of neutron production tritium and checking relevant theoretical calculating method. (2 tabs., 7 figs.)

  19. An NMR Investigation of Phase Structure and Chain Dynamics in the Polyethylene/Montmorillonite Nano composites

    Novel exfoliated and interacted polyethylene (PE)/montmorillonite (MMT) nano composites prepared by in situ polymerization were characterized by solid-state nuclear magnetic resonance (NMR). The phase structure and molecular mobility were investigated by proton and carbon NMR under static and magic-angle spinning (MAS) conditions. The results showed that incorporation of MMT layer enhanced the polyethylene crystallinity behavior. The chain mobility of crystalline phase, interphase and amorphous phase was hindered in the nano composites. The phase structure and chain dynamics were also investigated upon changing the temperature. The orthorhombic and monoclinic phases were detected according to the 13CP/MAS NMR. Quantitative characterization of the phase structure was also conducted by 13C DP/MAS upon changing the temperature. Finally, the difference in the phase structure and chain dynamics in each phase of PE/nano composites was compared based on the NMR results when fiber filler was introduced

  20. Improving the Neutron Cross-section Standards 238U(n,f) and 6Li(n,a) : Measurements and Simulations

    Jansson, Kaj

    2015-01-01

    Improving or extending the range of cross-section standards, which in general are believed to be well known, require good control of the experimental conditions and the uncertainties involved. Two experiments that aspire to improve two different neutron cross-section standards, 238U(n,f) and 6Li(n,a, are presented in this thesis. Both standards have previously been extensively measured, but outside certain energy ranges discrepancies exist. In this thesis, a future precision measurement of th...

  1. Energy dependence of the 6Li(π+,3He)3He reaction at 60, 75 and 90 MeV

    Differential cross sections for the pionic fission reaction 6Li(π+,3He)3He at T sub(π) = 60, 75 and 90 MeV have been measured for theta sub(c.m.) = 4l degrees. The energy dependence of the differential cross section is found to follow an exponential decrease with increasing incident pion energy and is compared with existing theoretical predictions

  2. Experimental Study of the {sup 6}Li(d,{alpha}){sup 4}He Reaction and its Astrophysical Implications via the Trojan Horse Method

    Pizzone, R.G.; Aliotta, M.; Blagus, S.; Cherubini, S.; Figuera, P.; Lattuada, M; Milin, M.; Miljanic, D.; Pellegriti, M.G.; Rendic, D.; Romano, S.; Soic, N.; Spitaleri, C.; Zadro, M.; Zappala, R.A.

    2000-12-31

    The {sup 6}Li(d, {alpha}){sup 4}He reaction, whose astrophysical importance is connected to the primordial nucleosynthesis in the framework of the Inhomogeneous Big Bang, has been studied by using the Trojan Horse Method (THM). We derive and discuss the cross section and the astrophysical S(E)-factor for E{sub cm}=0.025-0.7 MeV. Results are compared with data from a direct measurement.

  3. Increased vascular sympathetic modulation in mice with Mas receptor deficiency

    Rabello Casali, K.; Ravizzoni Dartora, D.; Moura, M; Bertagnolli, M.; Bader, M; Haibara, A.; Alenina, N; Irigoyen, M.C.; Santos, R. A

    2016-01-01

    Introduction: The angiotensin-converting enzyme 2 (ACE2)/angiotensin (Ang)-(1–7)/Mas axis could modulate the heart rate (HR) and blood pressure variabilities (BPV) which are important predictors of cardiovascular risk and provide information about the autonomic modulation of the cardiovascular system. Therefore we investigated the effect of Mas deficiency on autonomic modulation in wild type and Mas-knockout (KO) mice. Methods: Blood pressure was recorded at high sample rate (4000 Hz). Statio...

  4. Experimental studies of the break-up of 156 MeV 6Li-ions at extreme forward angles using the Karlsruhe magnetic spectrograph 'Little John'

    6Li-induced break-up reactions have been investigated at reaction angles in extreme forward direction including O0 with the Karlsruhe Magnetic Spectrograph 'Little John'. The experiments were characterized by the minimization of the high experimental background that dominates at small emission angles. Inclusive alpha-particle and deuteron spectra from the bombardement of 12C- and 208Pb-targets with 156 MeV 6Li-ions have been measured. Below the grazing angle the Coulomb interaction shows a distinct influence on the angular distributions of the fragments. A simple spectator-model and a more realistic description within the DWBA-formalism largely allows a reproduction of the data. In the light of the reverse reaction α + d → 6Li + γ at small α-d-relative energies, which is of considerable interest for astrophysics, a particle-particle-coincidence measurement with θα = 50 and θd = -20 has been performed. The result could be reproduced reasonably well by a simple Monte-Carlo-simulation. Beside the treatment of a physical problem this work deals with the start-up of the magnetic spectrograph and the clarification of spectrograph specific questions concerning the data reduction. (orig.)

  5. S-factor measurement of the 2H(α,γ)6Li reaction at energies relevant for Big-Bang nucleosynthesis

    For about 20 years now, observations of 6Li in several old metal-poor stars inside the halo of our galaxy have been reported, which are largely independent of the stars' metallicity, and which point to a possible primordial origin. The observations exceed the predictions of the Standard Big-Bang Nucleosynthesis model by a factor of 500. In the relevant energy range, no directly measured S-factors were available yet for the main production reaction 2H(α,γ)6Li, while different theoretical estimations have an uncertainty of up to two orders of magnitude. The very small cross section in the picobarn range has been measured with a deuterium gas target at the LUNA accelerator (Laboratory for Underground Nuclear Astrophysics), located deep underground inside Laboratori Nazionali del Gran Sasso in Italy. A beam-induced, neutron-caused background in the γ-detector occurred which had to be analyzed carefully and subtracted in an appropriate way, to finally infer the weak signal of the reaction. For this purpose, a method to parameterize the Compton background has been developed. The results are a contribution to the discussion about the accuracy of the recent 6Li observations, and to the question if it is necessary to include new physics into the Standard Big-Bang Nucleosynthesis model.

  6. Ultracold neutron detection with 6Li-doped glass scintillators, NANOSC: a fast ultracold neutron detector for the nEDM experiment at the Paul Scherrer Institute

    Ban, G; Bodek, K; Chowdhuri, Z; Geltenbort, P; Griffith, W C; Hélaine, V; Henneck, R; Kasprzak, M; Kermaidic, Y; Kirch, K; Komposch, S; Koss, P A; Kozela, A; Krempel, J; Lauss, B; Lefort, T; Lemière, Y; Mtchedlishvili, A; Musgrave, M; Naviliat-Cuncic, O; Piegsa, F M; Pierre, E; Pignol, G; Quéméner, G; Rawlik, M; Ries, D; Rebreyend, D; Roccia, S; Rogel, G; Schmidt-Wellenburg, P; Severijns, N; Wursten, E; Zejma, J; Zsigmond, G

    2016-01-01

    This paper summarizes the results from measurements aiming to characterize ultracold neutron detection with 6Li-doped glass scintillators. Single GS10 or GS20 scintillators, with a thickness of 100-200 micrometer, fulfill the ultracold neutron detection requirements with an acceptable neutron-gamma discrimination. This discrimination is clearly improved with a stack of two scintillators: a 6Li-depleted glass bonded to a 6Li-enriched glass. The optical contact bonding is used between the scintillators in order to obtain a perfect optical contact. The scintillator's detection efficiency is similar to that of a 3He Strelkov gas detector. Coupled to a digital data acquisition system, counting rates up to a few 10^5 counts/s can be handled. A detector based on such a scintillator stack arrangement was built and has been used in the neutron electric dipole moment experiment at the Paul Scherrer Institute since 2010. Its response for the regular runs of the neutron electric dipole moment experiment is presented.

  7. Nanosatellites for Earth Environmental Monitoring: The MicroMAS Project

    Blackwell, William; Allen, G; Conrad, S.; Galbraith, C.; Kingsbury, R.; Leslie, R; McKinley, P.; Osaretin, I.; W. Osborn; Reid, B.; Retherford, L.; Scarito, M.; Semisch, C.; Shield, M; Silver, M

    2012-01-01

    The Micro-sized Microwave Atmospheric Satellite (MicroMAS) is a dual-spinning 3U CubeSat equipped with a passive microwave spectrometer that observes nine channels near the 118.75-GHz oxygen absorption line. The focus of this MicroMAS mission (hereafter, MicroMAS-1) is to observe convective thunderstorms, tropical cyclones, and hurricanes from a near-equatorial orbit. The MicroMAS-1 flight unit is currently being developed by MIT Lincoln Laboratory, the MIT Space Systems Laboratory, and the M...

  8. NMR spectroscopy

    The book reviews the applications of NMR-spectroscopy in medicine and biology. The first chapter of about 40 pages summarizes the history of development and explains the chemical and physical fundamentals of this new and non-invasive method in an easily comprehensible manner. The other chapters summarize diagnostic results obtained with this method in organs and tissues, so that the reader will find a systematic overview of the available findings obtained in the various organ systems. It must be noted, however, that ongoing research work and new insight quite naturally will necessitate corrections to be done, as is the case here with some biochemical interpretations which would need adjustment to latest research results. NMR-spectroscopy is able to measure very fine energy differences on the molecular level, and thus offers insight into metabolic processes, with the advantage that there is no need of applying ionizing radiation in order to qualitatively or quantitatively analyse the metabolic processes in the various organ systems. (orig./DG) With 40 figs., 4 tabs

  9. Combined zero-quantum and spin-diffusion mixing for efficient homonuclear correlation spectroscopy under fast MAS: broadband recoupling and detection of long-range correlations

    Lu, Xingyu, E-mail: luxingyu@udel.edu; Guo, Changmiao, E-mail: cmguo@udel.edu; Hou, Guangjin, E-mail: hou@udel.edu; Polenova, Tatyana, E-mail: tpolenov@udel.edu [University of Delaware, Department of Chemistry and Biochemistry (United States)

    2015-01-15

    Fast magic angle spinning (MAS) NMR spectroscopy is emerging as an essential analytical and structural biology technique. Large resolution and sensitivity enhancements observed under fast MAS conditions enable structural and dynamics analysis of challenging systems, such as large macromolecular assemblies and isotopically dilute samples, using only a fraction of material required for conventional experiments. Homonuclear dipolar-based correlation spectroscopy constitutes a centerpiece in the MAS NMR methodological toolbox, and is used essentially in every biological and organic system for deriving resonance assignments and distance restraints information necessary for structural analysis. Under fast MAS conditions (rotation frequencies above 35–40 kHz), dipolar-based techniques that yield multi-bond correlations and non-trivial distance information are ineffective and suffer from low polarization transfer efficiency. To overcome this limitation, we have developed a family of experiments, CORD–RFDR. These experiments exploit the advantages of both zero-quantum RFDR and spin-diffusion based CORD methods, and exhibit highly efficient and broadband dipolar recoupling across the entire spectrum, for both short-range and long-range correlations. We have verified the performance of the CORD–RFDR sequences experimentally on a U-{sup 13}C,{sup 15}N-MLF tripeptide and by numerical simulations. We demonstrate applications of 2D CORD–RFDR correlation spectroscopy in dynein light chain LC8 and HIV-1 CA tubular assemblies. In the CORD–RFDR spectra of LC8 acquired at the MAS frequency of 40 kHz, many new intra- and inter-residue correlations are detected, which were not observed with conventional dipolar recoupling sequences. At a moderate MAS frequency of 14 kHz, the CORD–RFDR experiment exhibits excellent performance as well, as demonstrated in the HIV-1 CA tubular assemblies. Taken together, the results indicate that CORD–RFDR experiment is beneficial in a

  10. Solid state NMR study of cumbaru flour

    The polysaccharide obtained by seed of Dipteryx alata Vog, has been characterised by 13C solid state, using the basic routine techniques, like MAS and CPMAS and by the proton spin-lattice relaxation time in the rotating frame parameter (T1Hρ). Knowing that the chemical structure and molecular dynamic are extremely necessary route to obtain information on the polysaccharides, this work contributes to the classification of the seed containing in the cumbaru fruit to get response on its application. To obtain the initial responses for our purposes some solid state NMR techniques were chosen. The CPMAS 13C NMR spectrum of the polysaccharide was investigated to know if it has some crystallinity. The MAS 13C NMR spectrum showed the presence of domains with distinct molecular mobility, because these domains will differ basically in the distribution size and chain packing. The variable contact time experiment was used to analyse the distribution form of 13C decays, which give us more information about sample heterogeneity. The T1HρHr values were obtained from the variable contact time and by delayed contact time experiment, because these parameter indicate the order of polysaccharides. From the values of this parameter, we found that this polysaccharide is completely non-ordered. (author)

  11. Upgrade of the POLDI diffractometer with a ZnS(Ag)/6LiF scintillation detector read out with WLS fibers coupled to SiPMs

    A thermal neutron detector based on ZnS(Ag)/6LiF scintillator, wavelength- shifting fibers (WLS) and silicon photomultipliers (SiPM) is under development at the Paul Scherrer Institute (PSI) for upgrading the POLDI instrument, a pulse-overlap diffractometer. The design of the detector is outlined, and the measurements performed on a single channel prototype are presented. An innovative signal processing system based on a photon counting approach is under development. Its principle of operation is described and its performances are evaluated on the basis of a Monte Carlo simulation.

  12. Neutron spectrometry in a natural uranium slab using the 6Li(n,t)4He reaction and surface barrier detectors

    The advantage of using neutron spectrometry based on the energy distributions of the tritons produced by the reaction 6Li(n,t)4He has already been stressed in previous publications. The data are presented from two series of measurements carried out on a natural uranium slab. The stability and the reproducibility of Et distribution measurements have been verified. In the second series the background noise was eliminated. Preliminary treatment of the data has made it possible to define the energy range analyzed; it covers the whole field of low energies. (authors)

  13. Digital signal processing for a thermal neutron detector using ZnS(Ag):6LiF scintillating layers read out with WLS fibers and SiPMs

    Mosset, J.-B.; Stoykov, A.; Greuter, U.; Hildebrandt, M.; Schlumpf, N.

    2016-07-01

    We present a digital signal processing system based on a photon counting approach which we developed for a thermal neutron detector consisting of ZnS(Ag):6LiF scintillating layers read out with WLS fibers and SiPMs. Three digital filters have been evaluated: a moving sum, a moving sum after differentiation and a digital CR-RC4 filter. The performances of the detector with these filters are presented. A full analog signal processing using a CR-RC4 filter has been emulated digitally. The detector performance obtained with this analog approach is compared with the one obtained with the best performing digital approach.

  14. Digital signal processing for a thermal neutron detector using ZnS(Ag):6LiF scintillating layers read out with WLS fibers and SiPMs

    Mosset, J -B; Greuter, U; Hildebrandt, M; Schlumpf, N

    2015-01-01

    We present a digital signal processing system based on a photon counting approach which we developed for a thermal neutron detector consisting of ZnS(Ag):6LiF scintillating layers read out with WLS fibers and SiPMs. Three digital filters have been evaluated: a moving sum, a moving sum after differentiation and a digital CR-RC^4 filter. The performances of the detector with these filters are presented. A full analog signal processing using a CR-RC^4 filter has been emulated digitally. The detector performance obtained with this analog approach is compared with the one obtained with the best performing digital approach.

  15. Search for $^6_\\Lambda$H hypernucleus by the $^6$Li$(\\pi^-,K^+)$ reaction at $p_{\\pi^-}$ = 1.2 GeV/$c$

    Sugimura, H; Ahn, J K; Ajimura, S; Akazawa, Y; Amano, N; Aoki, K; Bhang, H C; Chiga, N; Endo, M; Evtoukhovitch, P; Feliciello, A; Fujioka, H; Fukuda, T; Hasegawa, S; Hayakawa, S; Honda, R; Hosomi, K; Hwang, S H; Ichikawa, Y; Igarashi, Y; Imai, K; Ishibashi, N; Iwasaki, R; Joo, C W; Kiuchi, R; Lee, J K; Lee, J Y; Matsuda, K; Matsumoto, Y; Matsuoka, K; Miwa, K; Mizoi, Y; Moritsu, M; Nagae, T; Nagamiya, S; Nakagawa, M; Naruki, M; Noumi, H; Ota, R; Roy, B J; Saha, P K; Sakaguchi, A; Sako, H; Samanta, C; Samoilov, V; Sasaki, Y; Sato, S; Sekimoto, M; Shimizu, Y; Shiozaki, T; Shirotori, K; Soyama, T; Takahashi, T; Takahashi, T N; Tamura, H; Tanabe, K; Tanaka, T; Tanida, K; Tokiyasu, A O; Tsamalaidze, Z; Ukai, M; Yamamoto, T O; Yamamoto, Y; Yang, S B; Yoshida, K

    2014-01-01

    We have carried out an experiment to search for a neutron-rich hypernucleus, $^6_{\\Lambda}$H, by the $^6$Li($\\pi^-,K^+$) reaction at $p_{\\pi^-}$ =1.2 GeV/$c$. The obtained missing mass spectrum with an estimated energy resolution of 3.2 MeV (FWHM) showed no peak structure corresponding to the $^6_{\\Lambda}$H hypernucleus neither below nor above the $^4_{\\Lambda}$H$+2n$ particle decay threshold. An upper limit of the production cross section for the bound $^6_{\\Lambda}$H hypernucleus was estimated to be 1.2 nb/sr at 90% confidence level.

  16. The 9Be(p,α)6Li and 9Be(p,d)8Be cross sections at low energies

    Data for the 9Be(p,α)6Li and 9Be(p,d)8Be reactions with proton energies up to 700 keV are fitted using R-matrix formulae. The data include values of the astrophysical S factors and of the angular-distribution and analysing-power coefficients. A reasonable fit is obtained with two 1- and two 2+ levels of 10B, and one each of 2-, 1+ and 3+ levels. All represent levels outside the energy range fitted except for a 1- level at 6.87 MeV and a 2+ level at 6.95 MeV

  17. Upgrade of the POLDI diffractometer with a ZnS(Ag)/6LiF scintillation detector read out with WLS fibers coupled to SiPMs

    Mosset, J -B; Davydov, V; Hildebrandt, M; Van Swygenhoven, H; Wagner, W

    2013-01-01

    A thermal neutron detector based on ZnS(Ag)/6LiF scintillator, wavelength-shifting fibers (WLS) and silicon photomultipliers (SiPM) is under development at the Paul Scherrer Institute (PSI) for upgrading the POLDI instrument, a pulse-overlap diffractometer. The design of the detector is outlined, and the measurements performed on a single channel prototype are presented. An innovative signal processing system based on a photon counting approach is under development. Its principle of operation is described and its performances are evaluated on the basis of a Monte Carlo simulation.

  18. A microscopic three-cluster model with nuclear polarization applied to the resonances of 7Be and the reaction 6Li(p,3He)4He

    Vasilevsky, V S; Broeckhove, J; Kovalenko, T P

    2008-01-01

    A microscopic model for three-cluster configurations in light nuclei is presented. It uses an expansion in terms of Faddeev components for which the dynamic eqations are derived. The model is designed to investigate binary channel processes in a compound system. Gaussian and oscillator bases are used to expand the wave function and to represent appropriate boundary conditions. We study the effect of cluster polarization on ground and resonance states of 7Be, and on the astrophysical S-factor of the reaction 6Li(p,3He)4He.

  19. Measurements of double-differential neutron emission cross sections of {sup 6}Li and {sup 7}Li for 18 MeV neutrons

    Ibaraki, Masanobu; Baba, Mamoru; Matsuyama, Shigeo; Sanami, Toshiya; Win, T.; Miura, Takako; Hirakawa, Naohiro [Tohoku Univ., Sendai (Japan). Faculty of Engineering

    1997-03-01

    Double-differential neutron emission cross sections of {sup 6}Li and {sup 7}Li were measured for 18 MeV neutrons at Tohoku University 4.5 MV Dynamitron facility. Neutron emission spectra were obtained down to 1 MeV at 13 angles with energy resolution good enough to separate discrete levels. A care was taken to eliminate the sample-dependent background due to parasitic neutrons. Experimental results were in fair agreement with the JENDL-3.2 data and a simple model considering a three-body breakup process and discrete level excitations. (author)

  20. 二维双量子魔角旋转核磁共振技术在功能材料研究中的应用%Application of Two-dimensional Double Quantum Magic Angle Spinning NMR to Solid Functional Materials

    喻志武; 郑安民; 王强; 邓风

    2011-01-01

    简要介绍了二维双量子魔角旋转核磁共振(DQ-MAS NMR)新技术的基本原理,详细综述了1H,19F,29Si,31P和27 Al DQ-MAS NMR技术在各种固体功能材料中的应用,并展望了该技术的应用前景.%Solid-state NMR spectroscopy has been developed into a powerful tool for obtaining detailed information about the structure, ordering, and dynamics in various kinds of inorganic organic, and biological materials. Two-dimensional double quantum magic angle spinning(DQ-MAS) NMR experiment is a useful method for probing spatial proximities or interactions between nuclei in various solid materials. During the past decade, the DQ-MAS NMR technique has been successfully applied not only to spin I = 1/2 nuclei, such as 1H, 19F, 29Si' 31p, but also to quadrupolar nuclei system, such as 27Al, 11B and 23Na. In this paper, we briefly introduce the principle of two-dimensional DQ-MAS NMR, and review the recent applications of DQ-MAS NMR technique(including 1H, 19F, 29Si, 31p and 27Al DQ-MAS NMR) to various solid functional materials. In addition, a perspective for the future of DQ-MAS NMR is also given.

  1. The stoichiometry of synthetic alunite as a function of hydrothermal aging investigated by solid-state NMR spectroscopy, powder X-ray diffraction and infrared spectroscopy

    Grube, Elisabeth; Nielsen, Ulla Gro

    2015-01-01

    angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy. The 1H MAS NMR spectra recorded at high magnetic field (21.1 T, 900 MHz) allowed for a clear separation of the different proton environments and for quantitative determination of the aluminum vacancy concentration as a function of time....... The concentration of structural defects determined from, i.e., aluminum vacancies was reduced from 4 to 1 %, as the reaction time was extended from one to 31 days based on 1H MAS NMR. This was further supported by an increase of the unit cell parameter c, which is indicative of the relative...... concentration of potassium defects present, from 17.261(1) to 17.324(5) Å. Solid-state 27Al MAS NMR revealed a decrease in the defect concentration as a function of time and showed the presence of 7-10 % impurities in the samples....

  2. Structural analysis of a signal peptide inside the ribosome tunnel by DNP MAS NMR.

    Lange, Sascha; Franks, W Trent; Rajagopalan, Nandhakishore; Döring, Kristina; Geiger, Michel A; Linden, Arne; van Rossum, Barth-Jan; Kramer, Günter; Bukau, Bernd; Oschkinat, Hartmut

    2016-08-01

    Proteins are synthesized in cells by ribosomes and, in parallel, prepared for folding or targeting. While ribosomal protein synthesis is progressing, the nascent chain exposes amino-terminal signal sequences or transmembrane domains that mediate interactions with specific interaction partners, such as the signal recognition particle (SRP), the SecA-adenosine triphosphatase, or the trigger factor. These binding events can set the course for folding in the cytoplasm and translocation across or insertion into membranes. A distinction of the respective pathways depends largely on the hydrophobicity of the recognition sequence. Hydrophobic transmembrane domains stabilize SRP binding, whereas less hydrophobic signal sequences, typical for periplasmic and outer membrane proteins, stimulate SecA binding and disfavor SRP interactions. In this context, the formation of helical structures of signal peptides within the ribosome was considered to be an important factor. We applied dynamic nuclear polarization magic-angle spinning nuclear magnetic resonance to investigate the conformational states of the disulfide oxidoreductase A (DsbA) signal peptide stalled within the exit tunnel of the ribosome. Our results suggest that the nascent chain comprising the DsbA signal sequence adopts an extended structure in the ribosome with only minor populations of helical structure. PMID:27551685

  3. Quantitative analysis of backbone motion in proteins using MAS solid-state NMR spectroscopy

    Chevelkov, Veniamin; Fink, Uwe; Reif, Bernd [Leibniz-Forschungsinstitut fuer Molekulare Pharmakologie (FMP) (Germany)], E-mail: reif@fmp-berlin.de

    2009-09-15

    We present a comprehensive analysis of protein dynamics for a micro-crystallin protein in the solid-state. Experimental data include {sup 15}N T{sub 1} relaxation times measured at two different magnetic fields as well as {sup 1}H-{sup 15}N dipole, {sup 15}N CSA cross correlated relaxation rates which are sensitive to the spectral density function J(0) and are thus a measure of T{sub 2} in the solid-state. In addition, global order parameters are included from a {sup 1}H,{sup 15}N dipolar recoupling experiment. The data are analyzed within the framework of the extended model-free Clore-Lipari-Szabo theory. We find slow motional correlation times in the range of 5 and 150 ns. Assuming a wobbling in a cone motion, the amplitude of motion of the respective amide moiety is on the order of 10 deg. for the half-opening angle of the cone in most of the cases. The experiments are demonstrated using a perdeuterated sample of the chicken {alpha}-spectrin SH3 domain.

  4. Aspects of Wood Adhesion: Applications of 13C CP/MAS NMR and Fracture Testing

    Schmidt, Robert G

    1998-01-01

    Phenol Formaldehyde (PF) and polymeric isocyanate (pMDI) are the two main types of adhesives used in the production of structural wood-based composites. Much is unknown about various aspects of adhesion between these two types of resins and wood. The present research describes the development of techniques which will permit an enhanced understanding of 1.) the extent of cure of PF within a wood based composite, 2.) the scale of molecular level interactions between PF and pMDI and wood, 3.) ...

  5. A Construction Way of MAS Based on Organization Theory

    GAO Bo; FEI Qi; CHEN Xue-guang

    2002-01-01

    With emphasizing that the integration of autonomy and coordination is the basis for constructing multi-agent systems (MAS), we analyze the organizational characters inherent with MAS and point out that it's a natural and essential way to construct MAS based on organization theory. We consider that the emphasis of the theory is the process of system analyzing. Then we present an analysis frame to expound the process, which includes the process of organization definition, the process of role definition, the process of organizational structure definition and the process of interaction protocol definition. Lastly, we discuss some issues associated with the processes of system design and implementation.

  6. Simultaneous measurement of angular distribution of elastic scattering for {sup 6}Li, {sup 7}Be, and {sup 8}B in {sup 58}Ni; Medida simultanea de Distribuciones Angulares de Dispersion Elastica para {sup 6}Li, {sup 7}Be, y {sup 8}B en {sup 58}Ni

    Ruiz S, A. [Facultad de Ciencias, UAEM, Toluca, Estado de Mexico (Mexico); Martinez Q, E.; Aguilera R, E.F.; Murillo O, G.; Lizcano C, D.; Gomez C, A. [Departamento de Aceleradores, ININ, 52750 La Marquesa, Estado de Mexico (Mexico)

    2007-07-01

    The experimental angular distributions of elastic scattering for the projectiles {sup 6}Li, {sup 7}Be, {sup 8}B in {sup 58}Ni were obtained. Using the Optical model with a Woods-Saxon potential form, as much for the real part as for the imaginary one, an adjustment to the experimental data varying only the depth of the imaginary part of the potential is made. A comparison of the results obtained for each projectile is made. (Author)

  7. Theoretical analysis of the astrophysical S-factor for the capture reaction α + d → {sup 6}Li + γ in the two-body model

    Tursunov, E. M., E-mail: tursune@inp.uz; Turakulov, S. A., E-mail: turakulov@inp.uz [Uzbek Academy of Sciences, Institute of Nuclear Physics (Uzbekistan); Descouvemont, P., E-mail: pdesc@ulb.ac.be [Physique Nucléaire Théorique et Physique Mathématique (Belgium)

    2015-03-15

    Theoretical estimates for the astrophysical S-factor and the rate of the reaction d(α, γ){sup 6}Li were obtained on the basis of the two-body model involving an α−d potential that has a simple Gaussian form and which describes correctly S-, P-, and D-wave phase shifts, the binding energy, and the asymptotic normalization coefficient for the S-wave bound state. The wave functions for the bound and continuum channels were calculated with the aid of the highly precise Numerov algorithm. The results for the contributions of the E1 and E2 transition components reveal a good convergence as the upper limit in the effective integrals increases up to 40 fm. The results obtained for the astrophysical S-factor and the rate of the reaction d(α, γ){sup 6}Li in the temperature range of 10{sup 6}K ≤ T ≤ 10{sup 10} K agree well with the results of the calculations performed by A.M. Mukhamedzhanov and his coauthors [Phys. Rev. C 83, 055805 (2011)] by using the known asymptotic form of the wave function at low energies and a complicated two-body potential at higher energies.

  8. Simultaneous sub-Doppler laser cooling of fermionic $^6$Li and $^{40}$K on the D$_1$ line: Theory and Experiment

    Sievers, Franz; Kretzschmar, Norman; Fernandes, Diogo Rio; Suchet, Daniel; Rabinovic, Michael; Parker, Colin V; Khaykovich, Lev; Salomon, Christophe; Chevy, Frédéric

    2014-01-01

    We report on simultaneous sub-Doppler laser cooling of fermionic $^6$Li and $^{40}$K using the D$_1$ optical transitions. We compare experimental results to a numerical simulation of the cooling process applying a semi-classical Monte Carlo wavefunction method. The simulation takes into account the three dimensional optical molasses setup and the dipole interaction between atoms and the bichromatic light field driving the D$_1$ transitions. We discuss the physical mechanisms at play, we identify the important role of coherences between the ground state hyperfine levels and compare D$_1$ and D$_2$ sub-Doppler cooling. In 5 ms, the D$_1$ molasses phase largely reduces the temperature for both $^6$Li and $^{40}$K at the same time, with a final temperature of 44 $\\mu$K and 11 $\\mu$K, respectively. For both species this leads to a phase-space density close to $10^{-4}$. These conditions are well suited to directly load an optical or magnetic trap for efficient evaporative cooling to quantum degeneracy.

  9. Inclusive measurements of the break-up of 156 MeV 6Li-ions at extreme forward angles and the quasi free break-up model

    Inclusive alpha particle and deuteron spectra from collisions of 156 MeV 6Li-ions with 12C and 208Pb were measured at extreme forward emission angles including zero degree. The measurements were performed with the Karlsruhe magnetic spectrograph 'Little John' and required an efficient reduction of the background from small-angle scattering. The observed double differential cross sections and angular distributions have been analysed on the basis of Serber's spectator break-up model. When going to angles smaller than grazing, where Coulomb effects are expected to the dominating, transitional features may appear. Corresponding effects probably associated with Coulomb break-up are observed with the 208Pb-target and require a slight extension of the Serber approach. In the case of the 12C-target the break-up cross sections in forward direction seem to reflect the shape of the internal momentum distribution of the alpha particle and deuteron cluster in the 6Li-projectile and are in agreement with a 2S-type wave function. However, at larger angles the shape appears to be distorted, possibly by final state interactions. (orig.)

  10. Thermoluminescent response to thermal neutrons of mixture of CaSO4: Tm and non-luminous 6LiF

    Thermoluminescent property of the mixture of CaSO4: Tm powder and non-luminous 6LiF powder was studied with a view to developing a personnel monitor for thermal neutrons. Its thermoluminescent response to thermal neutrons as a function of the particle size or the mixing ratio of both powders was investigated theoretically and experimentally. The phosphor sample, which was prepared according to the most favorable conditions that the particle size of both powders was between 100 -- 150 μm and the mixing weight ratio of CaSO4: Tm to 6LiF was 1 : 1, was found to have the following dosimetric properties. (1) The thermoluminescence output is linear against neutron dose in a dose range from 10 μrem up to 6 rem. (2) The thermoluminescent efficiency remains constant even after 5,000 repetitions of exposure-reading-annealing procedure. (3) A thermal neutron dose of 1 mrem can be determined with a standard deviation of 5.2% even under a γ-ray background of 10 mR. (auth.)

  11. Theoretical analysis of the astrophysical S-factor for the capture reaction α + d → 6Li + γ in the two-body model

    Theoretical estimates for the astrophysical S-factor and the rate of the reaction d(α, γ)6Li were obtained on the basis of the two-body model involving an α−d potential that has a simple Gaussian form and which describes correctly S-, P-, and D-wave phase shifts, the binding energy, and the asymptotic normalization coefficient for the S-wave bound state. The wave functions for the bound and continuum channels were calculated with the aid of the highly precise Numerov algorithm. The results for the contributions of the E1 and E2 transition components reveal a good convergence as the upper limit in the effective integrals increases up to 40 fm. The results obtained for the astrophysical S-factor and the rate of the reaction d(α, γ)6Li in the temperature range of 106K ≤ T ≤ 1010 K agree well with the results of the calculations performed by A.M. Mukhamedzhanov and his coauthors [Phys. Rev. C 83, 055805 (2011)] by using the known asymptotic form of the wave function at low energies and a complicated two-body potential at higher energies

  12. An ultracold neutron (UCN) detector with Ti/ sup 6 LiF multi-layer converter and sup 5 sup 8 Ni reflector

    Maier-Komor, P; Bergmaier, A; Dollinger, G; Paul, S; Petzoldt, G; Schott, W

    2002-01-01

    High efficient detectors for ultracold neutrons (UCN) must be developed for the new high flux neutron source Forschungsreaktor Muenchen II (FRM II). On silicon PIN diodes 76 mu g/cm sup 2 sup 5 sup 8 Ni was deposited as a UCN reflector. On this 100 double layers of sup n sup a sup t Ti (4.7 mu g/cm sup 2) and sup 6 LiF (1.8 mu g/cm sup 2) were deposited to function as a UCN converter. On top of this, 33 double layers of sup n sup a sup t Ti (3.4 mu g/cm sup 2) and sup 6 LiF (0.92 mu g/cm sup 2) were condensed in addition to provide sensitivity to very low-energy UCN. Finally, 6.0 mu g/cm sup 2 sup n sup a sup t V was deposited to protect the multi-layers. Vanadium has nearly zero optical potential for UCN and thus should not hinder their transmission. Since no expensive isotopes were involved, a source to substrate distance of 24 cm could be chosen, leading to excellent uniformity. The setup designed for deposition under ultrahigh vacuum conditions and the evaporation procedures are described.

  13. Solid state NMR study calcium phosphate ceramics

    High-resolution 31P and 1H NMR spectra at 40 and 121 MHz 31P and 300 MHz 1H of synthetic and biological samples of calcium phosphates have been obtained by magic angle spinning (MAS) at spinning speeds up to 6.5 kHz, and high power proton decoupling. The samples include crystalline hydroxyapatite, a deficient hydroxyapatite characterized by a Ca/P atomic ratio of 1.5, a poorly crystallized hydroxyapatite, monetite, brushite, octacalcium phosphate, β-tricalcium phosphate and rabbit femoral bone. The interactions between nuclei in unlike structures and the mobility of acid protons are discussed. (author). 11 refs.; 2 figs.; 1 tab

  14. Solid-state NMR enhanced by dynamic nuclear polarization as a novel tool for ribosome structural biology

    Gelis, Ioannis; Vitzthum, Veronika; Dhimole, Neha; Caporini, Marc A.; Schedlbauer, Andreas; Carnevale, Diego; Connell, Sean R.; Fucini, Paola; Bodenhausen, Geoffrey

    2013-01-01

    The impact of Nuclear Magnetic Resonance (NMR) on studies of large macromolecular complexes hinges on improvements in sensitivity and resolution. Dynamic nuclear polarization (DNP) in the solid state can offer improved sensitivity, provided sample preparation is optimized to preserve spectral resolution. For a few nanomoles of intact ribosomes and an 800 kDa ribosomal complex we demonstrate that the combination of DNP and magic-angle spinning NMR (MAS-NMR) allows one to overcome current sensi...

  15. Evaluating Interaction of MAS Providing Context-Aware Services

    Sánchez-Pi, Nayat; Griol, David; Carbó, Javier; José M. Molina

    2011-01-01

    Much effort has been spent on suggesting and implementing new architectures of MAS to specific domains. Often each new architecture is not even compared to any existing architectures in order to evaluate their potential benefits. The evaluation of Multi-Agent Systems (MAS) is a complex problem and it does not have a single form. The present work follows the research line of considering the agent interaction as the main evaluation criteria, the most important characteristic of any complex soft...

  16. Solid-State NMR Examination of Alteration Layers on a Nuclear Waste Glasses

    Murphy, Kelly A. [Penn State Univ., State College, PA (United States). Dept. of Chemistry; Washton, Nancy M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Science Lab.; Ryan, Joseph V. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Pantano, Carlo G. [Penn State Univ., State College, PA (United States). Dept. of Materials Science and Engineering; Mueller, Karl T. [Penn State Univ., State College, PA (United States). Dept. of Chemistry; Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Science Lab.

    2013-06-01

    Solid-state NMR is a powerful tool for probing the role and significance of alteration layers in determining the kinetics for the corrosion of nuclear waste glass. NMR methods are used to probe the chemical structure of the alteration layers to elucidate information about their chemical complexity, leading to increased insight into the mechanism of altered layer formation. Two glass compositions were examined in this study: a glass preliminarily designed for nuclear waste immobilization (called AFCI) and a simplified version of this AFCI glass (which we call SA1R). Powdered glasses with controlled and known particles sizes were corroded at 90 °C for periods of one and five months with a surface-area to solution-volume ratio of 100,000 m-1. 1H-29Si CP-CPMG MAS NMR, 1H-27Al CP-MAS NMR, 1H-11B CP-MAS NMR, and 1H-23Na CP-MAS NMR experiments provide isolated structural information about the alteration layers, which differ in structure from that of the pristine glass. Both glasses studied here develop alteration layers composed primarily of [IV]Si species. Aluminum is also retained in the alteration layers, perhaps facilitated by the observed increase in coordination from [IV]Al to [VI]Al, which correlates with a loss of charge balancing cations. 1H-11B CP-MAS NMR observations indicated a retention of boron in hydrated glass layers, which has not been characterized by previous work. For the AFCI glass, secondary phase formation begins during the corrosion times considered here, and these neophases are detected within the alteration layers. We identify precursor phases as crystalline sodium metasilicates. An important finding is that layer thickness depends on the length of the initial alteration stages and varies only with respect to silicon species during the residual rate regime.

  17. Solid-State NMR Examination of Alteration Layers on a Nuclear Waste Glasses

    Solid-state NMR is a powerful tool for probing the role and significance of alteration layers in determining the kinetics for the corrosion of nuclear waste glass. NMR methods are used to probe the chemical structure of the alteration layers to elucidate information about their chemical complexity, leading to increased insight into the mechanism of altered layer formation. Two glass compositions were examined in this study: a glass preliminarily designed for nuclear waste immobilization (called AFCI) and a simplified version of this AFCI glass (which we call SA1R). Powdered glasses with controlled and known particles sizes were corroded at 90 °C for periods of one and five months with a surface-area to solution-volume ratio of 100,000 m-1. 1H-29Si CP-CPMG MAS NMR, 1H-27Al CP-MAS NMR, 1H-11B CP-MAS NMR, and 1H-23Na CP-MAS NMR experiments provide isolated structural information about the alteration layers, which differ in structure from that of the pristine glass. Both glasses studied here develop alteration layers composed primarily of [IV]Si species. Aluminum is also retained in the alteration layers, perhaps facilitated by the observed increase in coordination from [IV]Al to [VI]Al, which correlates with a loss of charge balancing cations. 1H-11B CP-MAS NMR observations indicated a retention of boron in hydrated glass layers, which has not been characterized by previous work. For the AFCI glass, secondary phase formation begins during the corrosion times considered here, and these neophases are detected within the alteration layers. We identify precursor phases as crystalline sodium metasilicates. An important finding is that layer thickness depends on the length of the initial alteration stages and varies only with respect to silicon species during the residual rate regime

  18. LiPF6/LiBOB混合锂盐改善LiFePO4/石墨动力电池高温循环性能研究%Use of LiPF6/LiBOB blend salt for improving cycling performances of LiFePO4/graphite battery at elevated temperature

    宋海申; 赖延清; 李劼; 刘业翔; 张治安

    2013-01-01

    分别以 LiPF6、LiBOB 和 LiPF6/LiBOB 混合盐为电解质,研究了不同电解液对 LiFePO4/石墨动力电池高温循环性能的影响。结果表明,LiBOB 盐抑制了正极溶铁行为,并提高了正极高温循环充放电效率;由于 LiBOB基电解液对正极的保护及在负极表面良好的成膜作用,使得LiFePO4/石墨电池高温循环性能得到明显改善,但是增大了电池阻抗。LiPF6/Li-BOB混合盐可以发挥 LiBOB盐的优点增加正极稳定性,在石墨表面形成致密的 SEI 膜并能够有效改善电池高温循环性能,同时避免了单纯使用 LiBOB盐时阻抗较高的缺点。使用 LiPF6/LiBOB 混合盐,利用LiPF6盐低阻抗特性及 LiBOB盐对正、负电极的保护作用,可以有效提高电池电化学性能。%LiPF6 ,LiBOB and LiPF6/LiBOB blend salt-based electrolytes were investigated for improving cycling performances of LiFePO4/graphite lithium-ion batteries at elevated temperature.It was demonstrated that dis-solution of Fe from LiFePO4 was depressed in LiBOB based electrolyte,and columbic efficiency of LiFePO4/Li cell at elevated temperature was increased;LiBOB was reduced earlier on anode surface,forming compact SEI layer;and the capacity retention of LiFePO4/graphite cells at 55℃ increases with LiBOB concentration due to protective depositions of LiBOB on cathode surface and the SEI layer on anode surface,while the impedance of the cell is increased.LiPF6/LiBOB blend salt-based electrolyte combines the advantages of the different salts and maximizes the performance of cells.When electrolytes with LiPF6/LiBOB blend salt was used,the LiFe-PO4/graphite cells have excellent capacity retention at 55℃,while the impedance was dramatically decreased.

  19. The structure of phosphate and borosilicate glasses and their structural evolution at high temperatures as studied with solid state NMR spectroscopy: Phase separation, crystallisation and dynamic species exchange

    In this contribution we present an in-depth study of the network structure of different phosphate based and borosilicate glasses and its evolution at high temperatures. Employing a range of advanced solid state NMR methodologies, complemented by the results of XPS, the structural motifs on short and intermediate length scales are identified. For the phosphate based glasses, at temperatures above the glass transition temperature Tg, structural relaxation processes and the devitrification of the glasses were monitored in situ employing MAS NMR spectroscopy and X-ray diffraction. Dynamic species exchange involving rapid P-O-P and P-O-Al bond breaking and reforming was observed employing in situ 27Al and 31P MAS NMR spectroscopy and could be linked to viscous flow. For the borosilicate glasses, an atomic scale investigation of the phase separation processes was possible in a combined effort of ex situ NMR studies on glass samples with different thermal histories and in situ NMR studies using high temperature MAS NMR spectroscopy including 11B MAS, 29Si MAS and in situ 29Si{11B} REAPDOR NMR spectroscopy. (authors)

  20. NMR studies of metabolism

    In this paper, the authors present applications of NMR to the study of different aspects of metabolism. The authors begin with a brief outline of localization methods that are commonly used to obtain in vivo NMR spectra. The authors then describe in more detail metabolic information recently obtained by NMR of perfused organs, intact animals, and humans. Previous reviews have already covered the applications of NMR to the study of metabolism in microorganisms, isolated or cultivated cells, and tumors. NMR spectroscopy of the brain, and human in vivo NMR spectroscopy have also been reviewed

  1. Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study

    Balle, Thomas; Begtrup, Mikael; Jaroszewski, Jerzy W.; Liljefors, Tommy; Norrby, Per-Ola

    Reaction of 1-methylpyrazole with n-BuLi in THF followed by reaction with monodeuteromethanol (CH3OD) under kinetically controlled conditions leads to functionalisation at the methyl group, whereas reaction under thermodynamically controlled conditions leads to functionalisation at the pyrazole 5......-position. The observed regioselectivity can be correctly predicted, at least qualitatively, using density functional B3LYP/6-31+G(d,p) calculations only when solvation effects (IEFPCM) are taken into account. The 1H,6Li HOESY and NOESY NMR spectra of the thermodynamic product 5-lithio-1-methylpyrazole (5...

  2. Detector for the FSD Fourier-Diffractometer Based on ZnS(Ag)/^{6}LiF Scintillation Screen and Wavelength Shifting Fibers Readout

    Kuzmin, E S; Bokuchava, G D; Zhuk, V V; Kudryashov, V A; Buklin, A P; Trounov, V A

    2001-01-01

    At the IBR-2 pulsed reactor (FLNP, JINR, Dubna), a specialized time-of-flight instrument Fourier-Stress-Diffractometer (FSD) intended for the measurement of internal steresses in bulk samples by using high-resolution neutron diffraction is under construction. One of the main components of the diffractometer is a new-type detector with combined electronic - geometrical focusing uniting a large solid angle and a small geometry contribution to the instrumental resolution. The first two modules of the detector, based on scintillation screen ZnS(Ag)/^{6}LiF with wavelength shifting fibers readout have been developed and tested. The design of the detector and associated electronics are described. The method of time focusing surface approximation, using the screen flexibility is proposed. Characteristics of tested modules in comparison with a detector of previous generation are presented and advantages of new detector design for high-resolution diffractometry are discussed.

  3. Investigation of the triton emission asymmetry in the sup 6 Li(n, alpha) sup 3 H reaction with polarized thermal neutrons

    Gledenov, Yu M; Petukhov, A K; Sedyshev, P V; Shulgina, E V; Soldner, T; Vesna, V A; Zimmer, O

    2002-01-01

    An experiment was carried out at the high-intensity polarized cold neutron beam of the PF1B instrument of the ILL reactor, Grenoble, France. As a detector, the 48-section ionization chamber with the sup 6 LiF targets was used. An integral (current) method of the event detection with compensation of the reactor power fluctuation was applied. Special measurement technique was used for minimization and estimation of the possible false effect contribution. A value of the P-odd (sigma sub n , P sub t) correlation has been obtained: alpha sub P sub N = -(7.1 +- 3.9) centre dot 10 sup - sup 8. On the basis of the cluster model, the most accurate at present day estimation of the weak neutral current constant has been given: f subpi <= 1.2 centre dot 10 sup - sup 7.

  4. Search for 6ΛH hypernucleus by the 6Li(π−,K+) reaction at pπ−=1.2 GeV/c

    We have carried out an experiment to search for a neutron-rich hypernucleus, 6ΛH, by the 6Li(π−,K+) reaction at pπ−=1.2 GeV/c. The obtained missing-mass spectrum with an estimated energy resolution of 3.2 MeV (FWHM) showed no peak structure corresponding to the 6ΛH hypernucleus neither below nor above the 4ΛH+2n particle decay threshold. An upper limit of the production cross section for the bound 6ΛH hypernucleus was estimated to be 1.2 nb/sr at 90% confidence level

  5. Neutron total cross section measurements with the {sup 6}Li-ZnS(Ag) scintillator (BC702) employing a neutron and noise separation technique

    Shin, Sung Gyun; Kye, Yong Uk; Cho, Moo Hyun [Pohang University of Science and Technology, Pohang (Korea, Republic of); Namkung, Won [Pohang Accelerator Laboratory, Pohang (Korea, Republic of); Kim, Gui Nyun [Kyungpook National University, Daegu (Korea, Republic of); Lee, Man Woo; Kang, Yeong Rok [Dongnam Institute of Radiological and Medical Science, Busan (Korea, Republic of)

    2014-05-15

    The neutron total cross-section of natural Dy has been measured in the energy region from 0.01 to 100 eV by using the neutron time-of-flight method at Pohang Neutron Facility, which consists of an electron linear accelerator, a water-cooled Ta target with a water moderator, and a timeof-flight path with an 11-m length. A {sup 6}Li-ZnS(Ag) scintillator with a diameter of 12.5 cm and a thickness of 1.5 cm has been used as a neutron detector, and a metallic Dy plate has been used for the neutron transmission measurement. The background level has been determined by using notch filters of Co, Ta, and Cd sheets. In order to reduce the gamma rays from Bremsstrahlung and from neutron capture, we have employed a neutron-gamma separation system based on their different pulse shapes.

  6. Lithium isotope separation by 6Li/7Li countercurrent exchange between lithium-amalgam and aqueous LiOH in a spray column

    Lithium isotope separation by 6Li/7Li exchange between lithium-amalgam and aqueous LiOH has been investigated by using a column consisting of a vertical Pyrex glass tube in which aqueous LiOH flows up and a fine spray of lithium-amalgam falls down. As the number of theoretical plates, a value of 48 was obtained on a single column while the amalgam stability was η = 0.74, where η is the ratio between Li concentration in amalgam at the column bottom and that at the column top. That is, a large separation may be obtained in a single column in spite of amalgam decomposition which takes place as a side reaction. (author)

  7. Detector for the FSD Fourier-diffractometer based on ZnS(Ag)/6LiF scintillation screen and wavelength shifting fibers readout

    At the IBR-2 pulsed reactor (FLNP, JINR, Dubna), a specialized time-of-flight instrument Fourier-Stress-Diffractometer (FSD) intended for the measurement of internal stresses in bulk samples by using high-resolution neutron diffraction is under construction. One of the main components of the diffractometer is a new-type detector with combined electronic - geometrical focusing uniting a large solid angle and a small geometry contribution to the instrumental resolution. The first two modules of the detector, based on scintillation screen ZnS(Ag)/6LiF with wavelength shifting fibers readout have been developed and tested. The design of the detector and associated electronics are described. The method of time focusing surface approximation, using the screen flexibility is proposed. Characteristics of the tested modules in comparison with a detector of the previous generation are presented and advantages of the new detector design for high-resolution diffractometry are discussed

  8. Two-stage magneto-optical trapping and narrow-line cooling of $^6$Li atoms to high phase-space density

    Sebastian, Jimmy; Li, Ke; Gan, Huat Chai Jaren; Li, Wenhui; Dieckmann, Kai

    2014-01-01

    We report an experimental study of peak and phase-space density of a two-stage magneto-optical trap (MOT) of 6-Li atoms, which exploits the narrower $2S_{1/2}\\rightarrow 3P_{3/2}$ ultra-violet (UV) transition at 323 nm following trapping and cooling on the more common D2 transition at 671 nm. The UV MOT is loaded from a red MOT and is compressed to give a high phase-space density up to $3\\times 10^{-4}$. Temperatures as low as 33 $\\mu$K are achieved on the UV transition. We study the density limiting factors and in particular find a value for the light-assisted collisional loss coefficient of $1.3 \\pm0.4\\times10^{-10}\\,\\textrm{cm}^3/\\textrm{s}$ for low repumping intensity.

  9. Extended optical model analyses of elastic scattering and fusion cross sections for the 6Li+208Pb system at near-Coulomb-barrier energies using a folding potential

    Based on the extended optical model approach in which the polarization potential is decomposed into direct reaction (DR) and fusion parts, simultaneous χ2 analyses are performed for elastic scattering and fusion cross section data for the 6Li+208Pb system at near-Coulomb-barrier energies. A folding potential is used as the bare potential. It is found that the real part of the resultant DR part of the polarization potential is repulsive, which is consistent with the results from the continuum discretized coupled channel (CDCC) calculations and the normalization factors needed for the folding potentials. Further, it is found that both DR and fusion parts of the polarization potential satisfy separately the dispersion relation

  10. Dynamic nuclear polarization enhanced NMR at 187 GHz/284 MHz using an extended interaction Klystron amplifier

    Watts, A; Kemp, T; Dannatt, HRW; Barrow, NS; Brown, SP; Newton, ME; Dupree, R.

    2016-01-01

    A Dynamic Nuclear Polarisation (DNP) enhanced solid-state Magic Angle Spinning (MAS) NMR spectrometer which uses a 187 GHz (corresponding to 1H NMR frequency of 284 MHz) Extended Interaction Klystron (EIK) amplifier as the microwave source is briefly described. Its performance is demonstrated for a biomolecule (bacteriorhodopsin), a pharmaceutical, and surface functionalised silica. The EIK is very compact and easily incorporated into an existing spectrometer. The bandwidth of the amplifier i...

  11. High resolution nuclear magnetic resonance spectroscopy (NMR) studies on meat components: potentialities and prospects

    Antonio Sacco; Gino Vonghia; Francesco Giannico; Daniela Sacco; Vincenzo di Martino; Anna Caputi Jambrenghi; Maria Antonietta Brescia

    2010-01-01

    In recent years, increasing application of nuclear magnetic resonance (NMR) spectroscopy in the study of the agricultur-  al food products has been remarked, thanks to the advantages of this technique over other conventional analytical tech-  niques. This preliminary work presents, for the first time, the application of an innovative NMR technique, the  proton  high resolution magic angle spinning (1H HR-MAS), for studying meat features. It stresses that this method makes ...

  12. Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

    Santos, Maiara S.; Edenir R. Pereira-Filho; Antonio G. Ferreira; Elisangela F. Boffo; Figueira, Glyn M.

    2012-01-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemo...

  13. Production of antimatter 5,6Li nuclei in central Au+Au collisions at sNN=200 GeV

    Kai-Jia Sun

    2015-12-01

    Full Text Available Combining the covariant coalescence model and a blast-wave-like analytical parametrization for (anti-nucleon phase–space freezeout configuration, we explore light (anti-nucleus production in central Au+Au collisions at sNN=200 GeV. Using the nucleon freezeout configuration (denoted by FO1 determined from the measured spectra of protons (p, deutrons (d and 3He, we find the predicted yield of 4He is significantly smaller than the experimental data. We show this disagreement can be removed by using a nucleon freezeout configuration (denoted by FO2 in which the nucleons are assumed to freeze out earlier than those in FO1 to effectively consider the effect of large binding energy value of 4He. Assuming the binding energy effect also exists for the production of 5Li, Li‾5, 6Li and Li‾6 due to their similar binding energy values as 4He, we find the yields of these heavier (anti-nuclei can be enhanced by a factor of about one order, implying that although the stable (anti-6Li nucleus is unlikely to be observed, the unstable (anti-5Li nucleus could be produced in observable abundance in Au+Au collisions at sNN=200 GeV where it may be identified through the p–4He (p‾–He‾4 invariant mass spectrum. The future experimental measurement on (anti-5Li would be very useful to understand the production mechanism of heavier antimatter.

  14. An MAS-Based ETL Approach for Complex Data

    Boussaïd, Omar; Darmont, Jérôme

    2008-01-01

    In a data warehousing process, the phase of data integration is crucial. Many methods for data integration have been published in the literature. However, with the development of the Internet, the availability of various types of data (images, texts, sounds, videos, databases...) has increased, and structuring such data is a difficult task. We name these data, which may be structured or unstructured, "complex data". In this paper, we propose a new approach for complex data integration, based on a Multi-Agent System (MAS), in association to a data warehousing approach. Our objective is to take advantage of the MAS to perform the integration phase for complex data. We indeed consider the different tasks of the data integration process as services offered by agents. To validate this approach, we have actually developed an MAS for complex data integration.

  15. NMR analysis of biodiesel

    Biodiesel is usually analyzed by the various methods called for in standards such as ASTM D6751 and EN 14214. Nuclear magnetic resonance (NMR) is not one of these methods. However, NMR, with 1H-NMR commonly applied, can be useful in a variety of applications related to biodiesel. These include monit...

  16. Neutron-induced background by an {alpha}-beam incident on a deuterium gas target and its implications for the study of the {sup 2}H({alpha},{gamma}){sup 6}Li reaction at LUNA

    Anders, M.; Bemmerer, D.; Elekes, Z.; Marta, M. [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden (Germany); Trezzi, D.; Mazzocchi, C. [INFN, Sezione di Milano, Milano (Italy); Bellini, A.; Costantini, H.; Corvisiero, P.; Lemut, A.; Prati, P. [Universita di Genova (Italy); INFN, Sezione di Genova, Dipartimento di Fisica, Genova (Italy); Aliotta, M.; Davinson, T.; Scott, D. [University of Edinburgh, SUPA, School of Physics and Astronomy, Edinburgh (United Kingdom); Broggini, C.; Caciolli, A.; Erhard, M.; Menegazzo, R.; Rossi Alvarez, C. [INFN, Sezione di Padova, Padova (Italy); Formicola, A.; Junker, M. [Laboratori Nazionali del Gran Sasso, INFN, Assergi (Italy); Fueloep, Zs.; Gyuerky, G.; Somorjai, E.; Szuecs, T. [Institute of Nuclear Research (ATOMKI), Debrecen (Hungary); Gervino, G. [Universita di Torino (Italy); INFN, Dipartimento di Fisica Sperimentale, Torino (Italy); Guglielmetti, A. [INFN, Sezione di Milano, Milano (Italy); Universita degli Studi di Milano, Milano (Italy); Gustavino, C. [INFN, Sezione di Roma ' ' La Sapienza' ' , Roma (Italy); Straniero, O. [INFN, Sezione di Napoli, Napoli (Italy); Osservatorio Astronomico di Collurania, Teramo (Italy); Collaboration: LUNA Collaboration

    2013-02-15

    The production of the stable isotope {sup 6}Li in standard Big Bang nucleosynthesis has recently attracted much interest. Recent observations in metal-poor stars suggest that a cosmological {sup 6}Li plateau may exist. If true, this plateau would come in addition to the well-known Spite plateau of {sup 7}Li abundances and would point to a predominantly primordial origin of {sup 6}Li, contrary to the results of standard Big Bang nucleosynthesis calculations. Therefore, the nuclear physics underlying Big Bang {sup 6}Li production must be revisited. The main production channel for {sup 6}Li in the Big Bang is the {sup 2}H({alpha},{gamma}){sup 6}Li reaction. The present work reports on neutron-induced effects in a high-purity germanium detector that were encountered in a new study of this reaction. In the experiment, an {alpha}-beam from the underground accelerator LUNA in Gran Sasso, Italy, and a windowless deuterium gas target are used. A low neutron flux is induced by energetic deuterons from elastic scattering and, subsequently, the {sup 2}H(d,n){sup 3}He reaction. Due to the ultra-low laboratory neutron background at LUNA, the effect of this weak flux of 2-3 MeV neutrons on well-shielded high-purity germanium detectors has been studied in detail. Data have been taken at 280 and 400keV {alpha}-beam energy and for comparison also using an americium-beryllium neutron source. (orig.)

  17. Structural characterisation of amorphous materials by solid state NMR

    Mollison, N B

    2002-01-01

    Solid state nuclear magnetic resonance (NMR) is a structural elucidation technique that is ideal as a probe in the investigation of atomic structure of highly complex amorphous materials. In this study, NMR is employed in the structural characterisation of a series of sodium-lithium disilicate glasses. These so-called 'mixed-alkali' glasses are of great scientific interest, since they exhibit non-linear ionic transport related properties; the theory of which is not understood, but is thought to be related to the cation distribution in the disilicate network. This project attempts to utilise solid state NMR to its fullest potential, by combining several techniques, including the novel MQMAS experiment and a series of double resonance measurements. The double resonance techniques TRAPDOR and SEDOR have been attempted to measure sup 2 sup 9 Si-left brace sup 2 sup 3 Na right brace and sup 6 sup , sup 7 Li-left brace sup 7 sup , sup 6 Li right brace interactions respectively. Since these experiments rely on the d...

  18. NMR spectroscopy applied to the eye: Drugs and metabolic studies

    Saether, Oddbjoern

    2005-07-01

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

  19. NMR spectroscopy applied to the eye: Drugs and metabolic studies

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

  20. Project MAS 1984-1985. OEA Evaluation Report.

    New York City Board of Education, Brooklyn. Office of Educational Assessment.

    This multi-site instructional program (Project MAS) provides instruction in English as a second language and native language arts, as well as bilingual instruction in mathematics and science to approximately 400 Spanish-speaking schools. It serves third through eighth graders at four sites in the Bronx. Its instructional and non-instructional…

  1. Neutron spectrometry in a natural uranium slab using the {sup 6}Li(n,t){sup 4}He reaction and surface barrier detectors; Spectrometrie des neutrons dans un massif d'uranium naturel au moyen de la reaction {sup 6}Li(n,t){sup 4}He a l'aide de detecteurs a barriere de surface

    De Leeuw-Gierts, G.; De Leeuw, S. [Commissariat a l' Energie Atomique, Centre d' Etudes Nucleaires de Cadarache, 13 - Saint-Paul-lez-Durance (France)

    1966-10-01

    The advantage of using neutron spectrometry based on the energy distributions of the tritons produced by the reaction {sup 6}Li(n,t){sup 4}He has already been stressed in previous publications. The data are presented from two series of measurements carried out on a natural uranium slab. The stability and the reproducibility of E{sub t} distribution measurements have been verified. In the second series the background noise was eliminated. Preliminary treatment of the data has made it possible to define the energy range analyzed; it covers the whole field of low energies. (authors) [French] L'interet d'effectuer la spectrometrie des neutrons a partir des distributions des energies de tritons emis lors de la reaction {sup 6}Li(n,t){sup 4}He a ete souligne dans des publications precedentes. Dans ce travail, on presente les donnees de deux series de mesures dans un massif d'uranium naturel. On a pu verifier la stabilite et la reproductibilite des mesures des distributions E{sub t}. Dans la deuxieme serie, le bruit de fond a ete elimine. Un traitement preliminaire des donnees a permis de mettre en evidence le domaine analyse des energies, on voit qu'il couvre tout le domaine des faibles energies. (auteurs)

  2. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  3. Fluorine dynamics in BaF2 superionic conductors investigated by NMR

    Gumann, Patryk

    2008-01-01

    In this work the dynamics of fluorine in solid-state electrolytes having BaF2-structure was investigated using three different NMR-methods: field cycling relaxometry, lineshape analysis, and static field gradient NMR. For this purpose a pure BaF2 crystal, as well as crystals doped with trivalent impurities (LaF3), were studied as a function of temperature. The main goal of this investigation was to utilize the structure information provided by neutron scattering and MAS NMR data in order to s...

  4. Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

    Maiara S. Santos

    2012-01-01

    Full Text Available The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques.

  5. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, 1H HR-MAS NMR and 1H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  6. High Resolution Magic Angle Spinning 1H-NMR Metabolic Profiling of Nanoliter Biological Tissues at High Magnetic Field

    Feng, Ju; Hu, Jian Z.; Burton, Sarah D.; Hoyt, David W.

    2013-03-05

    It is demonstrated that a high resolution magic angle spinning 1H-NMR spectrum of biological tissue samples with volumes as small as 150 nanoliters, or 0.15 mg in weight, can be acquired in a few minutes at 21.1 T magnetic field using a commercial 1.6 mm fast-MAS probe with minor modification of the MAS rotor. The strategies of sealing the samples inside the MAS rotor to avoid fluid leakage as well as the ways of optimizing the signal to noise are discussed.

  7. Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4: Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra

    Marashdeh, A.; Frankcombe, T.J.

    2008-01-01

    The dehydrogenation enthalpies of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski’s direct method. The dehydrog

  8. Sequential mechanism for the Li7 (He3, α)6 Li(d)α reaction at incident energy between 2.5 and 11.5 MeV

    A strictly sequential mechanism appears to appropriate for the Li7 (3He,α)6Li(d)α reaction in the energy range between 2.5 and 11.5 MeV. It can be described by a first direct emission mechanism and a second delayed emission

  9. Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy

    Skibsted, Jørgen Bengaard; Andersen, Morten D.; Jakobsen, Hans Jørgen

    2006-01-01

    Solid-state, magic-angle spinning (MAS) NMR spectroscopy represents a valuable tool for structural investigations on the nanoscale of the most important phases in anhydrous and hydrated Portland cements and of various admixtures. This is primarily due to the fact that the method reflects the first...... have been investigated in detail by 29Si and 27Al MAS NMR where the combination of the results for these spin-nuclei provides important information on the degree of Al-incorporation in the C-S-H structure and of the average chain lengths of tetrahedral SiO4 and AlO4 units. This presentation will...

  10. Probing structure and dynamics of protein assemblies by magic angle spinning NMR spectroscopy.

    Yan, Si; Suiter, Christopher L; Hou, Guangjin; Zhang, Huilan; Polenova, Tatyana

    2013-09-17

    In living organisms, biological molecules often organize into multicomponent complexes. Such assemblies consist of various proteins and carry out essential functions, ranging from cell division, transport, and energy transduction to catalysis, signaling, and viral infectivity. To understand the biological functions of these assemblies, in both healthy and disease states, researchers need to study their three-dimensional architecture and molecular dynamics. To date, the large size, the lack of inherent long-range order, and insolubility have made atomic resolution studies of many protein assemblies challenging or impractical using traditional structural biology methods such as X-ray diffraction and solution NMR spectroscopy. In the past 10 years, we have focused our work on the development and application of magic angle spinning solid-state NMR (MAS NMR) methods to characterize large protein assemblies at atomic-level resolution. In this Account, we discuss the rapid progress in the field of MAS NMR spectroscopy, citing work from our laboratory and others on methodological developments that have facilitated the in-depth analysis of biologically important protein assemblies. We emphasize techniques that yield enhanced sensitivity and resolution, such as fast MAS (spinning frequencies of 40 kHz and above) and nonuniform sampling protocols for data acquisition and processing. We also discuss the experiments for gaining distance restraints and for recoupling anisotropic tensorial interactions under fast MAS conditions. We give an overview of sample preparation approaches when working with protein assemblies. Following the overview of contemporary MAS NMR methods, we present case studies into the structure and dynamics of two classes of biological systems under investigation in our laboratory. We will first turn our attention to cytoskeletal microtubule motor proteins including mammalian dynactin and dynein light chain 8. We will then discuss protein assemblies from the

  11. TL response of pairs of 6LiF:Mg,Cu,Si/7LiF:Mg,Cu,Si and TLD-600/TLD-700 to 0.1–12 MeV neutrons

    Neutron dosimetery continues to remain an important and a challenging aspect of radiation protection due to the higher biological effectiveness of neutrons than that of gamma rays and the intricacy in the responses of the detectors. The need for personal dosimetry in mixed fields of neutrons and gamma rays has considerably increased due to the rising number of nuclear facilities, nuclear power plants, medical therapy equipment, accelerators and so on. The most widely used technique for personal dosimetry has been the albedo technique employing pairs of neutron sensitive 6LiF:Mg,Ti (TLD-600) and neutron insensitive 7LiF:Mg,Ti (TLD-700) thermoluminescent dosimeters (TLDs). Off late, LiF:Mg,Cu,Si has emerged as one of the most promising TLD material, having the advantages of high sensitivity, near tissue equivalence to gamma rays, negligible fading on pre and post-irradiation storage, thermal stability for readout and negligible residual signal after the readout. In this study, neutron energy response of indigenously developed 6LiF:Mg,Cu,Si and 7LiF:Mg,Cu,Si TLD pairs was evaluated to neutrons of energy from thermal to 11.6 MeV and was compared with the response of TLD-600 and TLD-700 pairs. The net TL per unit neutron dose for the 6LiF:Mg,Cu,Si/7LiF:Mg,Cu,Si TLD pair was found to be about 10 times of that of the TLD-600/TLD-700 pair. Unlike, TLD-600 and TLD-700, the glow curve structure of 6LiF:Mg,Cu,Si and 7LiF:Mg,Cu,Si remained almost the same for all the irradiations. Thus, 6LiF:Mg,Cu,Si and 7LiF:Mg,Cu,Si TLDs provided a better alternate to TLD-600 and TLD-700 for the dosimetry of mixed fields of neutrons and gamma rays. -- Highlights: ► High sensitivity 6Li and 7Li enriched LiF:Mg,Cu,Si TLDs have been developed at KAERI, Korea. ► Main TL glow peak remains unchanged for 6Li and 7Li enrichment and radiation type. ► Net TL/mSv is about 10 times of that of TLD-600/TLD-700 pairs

  12. Study of the ferroelastic phase transition in the tetraethylammonium compound [N(C2H54]2ZnBr4 by magic-angle spinning and static NMR

    Ae Ran Lim

    2016-03-01

    Full Text Available The ferroelastic phase transition of tetraethylammonium compound [N(C2H54]2ZnBr4 at the phase transition temperature (TC = 283 K was characterized by magic-angle spinning (MAS and static nuclear magnetic resonance (NMR, and confirmed by optical polarizing spectroscopy. The structural geometry near TC was studied in terms of the chemical shifts and the spin-lattice relaxation times T1ρ in the rotating frame for 1H MAS NMR and 13C cross-polarization (CP/MAS NMR. The two inequivalent ethyl groups were distinguishable in the 13C NMR spectrum, and the T1ρ results indicate that they undergo tumbling motion above TC in a coupled manner. From the 14N NMR results, the two nitrogen nuclei in the N(C2H54+ ions were distinguishable above TC, and the splitting in the spectra below TC was related to the ferroelastic domains with different orientations.

  13. Effects on distortion on the inter cluster motion in 2H, 3He, 6Li and 9Be on Trojan Horse applications

    Deuteron induced quasi-free scattering and reactions have been extensively investigated in the past few decades as well as 6Li, 3H, 3He and 9Be induced ones. This was done not only for nuclear structure and reaction mechanisms investigation but also for important astrophysical implications (Trojan Horse Method)[1]. In particular the width and the shape of the spectator momentum distribution inside several nuclei which have been used as Trojan Horse ones have been obtained as a function of the transferred momentum for all these nuclei. The behaviour of the width of the spectator momentum distribution as a function of the transferred momentum will be discussed extensively. This work is the continuation of what has been done for Li6 in [2]. Moreover a complete study on Trojan Horse method applications will also be given because the momentum distribution of the spectator particle inside the Trojan horse nucleus is a necessary input for the application of this method. This will give hints on distortion effects at low energies as well as implications for nuclear astrophysics.(author)

  14. Levels in 148Tb excited by the (6Li,2n), (7Li,3n) and (10B,4n) reactions

    High spin states in 148Tb have been excited by means of 144Sm(6Li,2n), 144Sm(7Li,3n), and 142Nd(10B,4n) reactions and studied by γ-ray and electron measurements. Gamma-ray singles, excitation functions, angular distributions, internal conversion coefficients, and γ-γ coincidence measurements have been made. A seven-fold gamma-gamma cascade feeding the 9+ isomeric state in 148Tb and originating in a level 4137keV above that state is strongly excited. The spin and parity assignments are made on the basis of angular distribution and internal conversion coefficients. On the basis of these measurements, the 1006keV transition is E3 in character; the half-life of the 1006keV(12-) level is established to be 25 +- 2ns. These experiments also confirm the existence of a number of high spin states in 148Gd seen by earlier workers. (author)

  15. Astrophysical Impact of the Updated 9Be(p,α)6Li and 10B(p,α)7Be Reaction Rates As Deduced By THM

    Lamia, L.; Spitaleri, C.; Tognelli, E.; Degl'Innocenti, S.; Pizzone, R. G.; Prada Moroni, P. G.

    2015-10-01

    The complete understanding of the stellar abundances of lithium, beryllium, and boron represents one of the most interesting open problems in astrophysics. These elements are largely used to probe stellar structure and mixing phenomena in different astrophysical scenarios, such as pre-main-sequence or main-sequence stars. Their different fragility against (p,α) burning reactions allows one to investigate different depths of the stellar interior. Such fusion mechanisms are triggered at temperatures between T ≈ (2-5) × {10}6 K, thus defining a corresponding Gamow energy between ≈ 3-10 keV, where S(E)-factor measurements need to be performed to get reliable reaction rate evaluations. The Trojan Horse Method is a well defined procedure to measure cross sections at Gamow energies overcoming the uncertainties due to low-energy S(E)-factor extrapolation as well as electron screening effects. Taking advantage of the {\\mathtt{THM}} measure of the 9Be(p,α)6Li and 10B(p,α)7Be cross sections, the corresponding reaction rates have been calculated and compared with the evaluations by the NACRE collaboration, widely used in the literature. The impact on surface abundances of the updated 9Be and 10B (p,α) burning rates is discussed for pre-MS stars.

  16. On uncertainty quantification of lithium-ion batteries: Application to an LiC6/LiCoO2 cell

    Hadigol, Mohammad; Maute, Kurt; Doostan, Alireza

    2015-12-01

    In this work, a stochastic, physics-based model for Lithium-ion batteries (LIBs) is presented in order to study the effects of parametric model uncertainties on the cell capacity, voltage, and concentrations. To this end, the proposed uncertainty quantification (UQ) approach, based on sparse polynomial chaos expansions, relies on a small number of battery simulations. Within this UQ framework, the identification of most important uncertainty sources is achieved by performing a global sensitivity analysis via computing the so-called Sobol' indices. Such information aids in designing more efficient and targeted quality control procedures, which consequently may result in reducing the LIB production cost. An LiC6/LiCoO2 cell with 19 uncertain parameters discharged at 0.25C, 1C and 4C rates is considered to study the performance and accuracy of the proposed UQ approach. The results suggest that, for the considered cell, the battery discharge rate is a key factor affecting not only the performance variability of the cell, but also the determination of most important random inputs.

  17. Detection of thermal neutrons using ZnS(Ag):6LiF neutron scintillator read out with WLS fibers and SiPMs

    Hildebrandt, M.; Stoykov, A.; Mosset, J.-B.; Greuter, U.; Schlumpf, N.

    2016-07-01

    In this paper we present the development of a one-dimensional multi-channel thermal neutron detection system for the application in neutron scattering instrumentation, e.g. strain-scanning diffractometers. The detection system is based on ZnS(Ag):6LiF neutron scintillator with embedded WLS fibers which are read out with a SiPM. A dedicated signal processing system allows us to suppress the SiPM dark counts and to extract the signals from the neutron absorption events. For a single-channel detection unit which represents the elementary building block of this detection system we achieved a neutron detection efficiency of ~65% at 1.2 Å, a background count rate <10-3 Hz and a gamma-sensitivity <10-6 (measured with a 60Co source), while the dead time is ~20 μs and the multi-count ratio is < 1 %. This performance was achieved even for SiPM dark count rates of up to ~2 MHz.

  18. NMR at 900 MHz

    2002-01-01

    @@ An important factor in the development of solutionstate NMR has always been th e ability to produce stable and homogeneous magnetic fields. As higher and higher field strengths are reached the pressure is growing on manufacturers to produce NMR systems with greatly improved spectral resolution and signal to noise ratio. The introduction of the Varian 900 MHz INOVA system in August 2000 featuring Oxford Instruments 21.1 T magnet represents the latest pioneering development in NMR technology.

  19. Solid-state NMR studies of bacteriorhodopsin and the purple membrane

    Mason, A J

    2001-01-01

    proteins. This technique may prove particularly useful when studying large proteins that are difficult to orient where the MAS lineshapes will remain relatively unaffected in comparison with current static NMR methods. Finally the MAOSS method was extended to the study of the lipid components of the purple membrane and the feasibility of determining structural constraints from phospholipid headgroups was assessed. The potential of using sup 3 sup 1 P NMR to observe qualitative protein-lipid interactions in both the purple membrane and reconstituted membranes containing bovine rhodopsin was also demonstrated. Following the demonstration of a new MAS NMR method for resolving orientational constraints in uni-axially oriented biological membranes (Glaubitz and Watts, 1998), experiments were performed to realise the potential of the new method on large, oriented membrane proteins. Using bacteriorhodopsin in the purple membrane as a paradigm for large membrane proteins, the protein was specifically labelled with de...

  20. 10B and 11B high-resolution NMR studies on boron-doped diamond

    Murakami, M.; Shimizu, T.; Tansho, M.; Takano, Y.; Ishii, S.; Ekimov, E. A.; Sidorov, V. A.; Takegoshi, K.

    2010-12-01

    11B magic-angle spinning (MAS) NMR experiments are applied to B-doped diamond samples prepared by high-pressure and high-temperature methods. From the spectrum, we show that there are at least four boron signal components and the one at 28.5 ppm is ascribed to the substitutional boron in the diamond structure providing the carriers responsible for conductivity. We further apply two-dimensional (2D) NMR to examine 1H dipolar broadening and 11B-11B boron spin diffusion, and candidates purported so far for the excess boron, that is, a boron + hydrogen complex and -B-B- and/or -B-C-B- clusters are negated. Furthermore, we show that 10B MAS NMR is useful to selectively observe the substitutional boron in the diamond structure appearing at 28.5 ppm, whose quadrupolar coupling is much smaller than that of the excess boron at 65.5 ppm.

  1. DynamicWorkflow in Grid-MAS Integration Context

    Salle, Paola; Duvert, Frédéric; Hérin, Danièle; Stefano A. CERRI

    2007-01-01

    This paper addresses the architectural foundations of dynamic workflows in distributed multi-agent systems (MAS) integrated in Grid context. The purpose is to design an architecture at the same time taking into consideration tasks dependencies among agents, adaptation with respect to historic lessons learnt from past behaviour (memory) and the autonomous decisions when an unpredicted event occurs. In order to do this, given one ontology, called AGIO, which describes Agent-Grid Integration, we...

  2. Commercial facility site selection simulating based on MAS

    Chao, Yi; Li, Qingquan; Zheng, Guizhou

    2008-10-01

    The location of commercial facility decides the benefit of the operator to a large degree. Existing location methods can express the static relationships between site selection result and location factors, but there still are some limites when express the dynamic and uncertain relationship between them. Hence, a dynamic, stochastic and forecastable location model should be built which can introduce the customer's behavior into the model and combine the macro pattern and micro spatial interaction. So the authors proposes Geosim-LM based on MAS. Geosim-LM has 3 kinds of agents, CustAgent, SiteAgent and GovAgent. They represent the customers, commercial fercilities and government. The land type, land price and traffic are the model environment. Then Geosim-LM is applied in the bank branches site evaluation and selection in Liwan district, Guangzhou. In existing bank branches site evaluation, there are 70% consistent in score grade between result of Geosim-LM after 200 round runing and actual rebust location. It proves the model is reliable and feasible. The conclusions can be get from the paper. MAS have advantages in location choice than existed methods. The result of Geosim-LM running can powerfully proves that building location model based on MAS is feasible.

  3. MAS及其相关概念%MAS and Correlation Conceptions

    程显毅; 董红斌

    2000-01-01

    The researching of MAS originates from distributed artificial intelligence ,because new theory framework is provided for solving some problems in complex and distributed environment ,MAS is valued increasingly by computer ,automatic control and management science.

  4. Lectures on pulsed NMR

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 32 refs., 56 figs

  5. Lectures on pulsed NMR

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 55 figs

  6. Revised Big Bang Nucleosynthesis with Long-lived, Negatively Charged Massive Particles: Updated Recombination Rates, Primordial 9Be Nucleosynthesis, and Impact of New 6Li Limits

    Kusakabe, Motohiko; Kim, K. S.; Cheoun, Myung-Ki; Kajino, Toshitaka; Kino, Yasushi; Mathews, Grant. J.

    2014-09-01

    We extensively reanalyze the effects of a long-lived, negatively charged massive particle, X -, on big bang nucleosynthesis (BBN). The BBN model with an X - particle was originally motivated by the discrepancy between the 6, 7Li abundances predicted in the standard BBN model and those inferred from observations of metal-poor stars. In this model, 7Be is destroyed via the recombination with an X - particle followed by radiative proton capture. We calculate precise rates for the radiative recombinations of 7Be, 7Li, 9Be, and 4He with X -. In nonresonant rates, we take into account respective partial waves of scattering states and respective bound states. The finite sizes of nuclear charge distributions cause deviations in wave functions from those of point-charge nuclei. For a heavy X - mass, mX >~ 100 GeV, the d-wave → 2P transition is most important for 7Li and 7, 9Be, unlike recombination with electrons. Our new nonresonant rate of the 7Be recombination for mX = 1000 GeV is more than six times larger than the existing rate. Moreover, we suggest a new important reaction for 9Be production: the recombination of 7Li and X - followed by deuteron capture. We derive binding energies of X nuclei along with reaction rates and Q values. We then calculate BBN and find that the amount of 7Be destruction depends significantly on the charge distribution of 7Be. Finally, updated constraints on the initial abundance and the lifetime of the X - are derived in the context of revised upper limits to the primordial 6Li abundance. Parameter regions for the solution to the 7Li problem and the primordial 9Be abundances are revised.

  7. REVISED BIG BANG NUCLEOSYNTHESIS WITH LONG-LIVED, NEGATIVELY CHARGED MASSIVE PARTICLES: UPDATED RECOMBINATION RATES, PRIMORDIAL 9Be NUCLEOSYNTHESIS, AND IMPACT OF NEW 6Li LIMITS

    We extensively reanalyze the effects of a long-lived, negatively charged massive particle, X –, on big bang nucleosynthesis (BBN). The BBN model with an X – particle was originally motivated by the discrepancy between the 6, 7Li abundances predicted in the standard BBN model and those inferred from observations of metal-poor stars. In this model, 7Be is destroyed via the recombination with an X – particle followed by radiative proton capture. We calculate precise rates for the radiative recombinations of 7Be, 7Li, 9Be, and 4He with X –. In nonresonant rates, we take into account respective partial waves of scattering states and respective bound states. The finite sizes of nuclear charge distributions cause deviations in wave functions from those of point-charge nuclei. For a heavy X – mass, mX ≳ 100 GeV, the d-wave → 2P transition is most important for 7Li and 7, 9Be, unlike recombination with electrons. Our new nonresonant rate of the 7Be recombination for mX = 1000 GeV is more than six times larger than the existing rate. Moreover, we suggest a new important reaction for 9Be production: the recombination of 7Li and X – followed by deuteron capture. We derive binding energies of X nuclei along with reaction rates and Q values. We then calculate BBN and find that the amount of 7Be destruction depends significantly on the charge distribution of 7Be. Finally, updated constraints on the initial abundance and the lifetime of the X – are derived in the context of revised upper limits to the primordial 6Li abundance. Parameter regions for the solution to the 7Li problem and the primordial 9Be abundances are revised

  8. Fluctuations on the X-ray intensity beam using a portable X-ray probe based on 6LiI(Eu) crystal

    X-rays are produced by accelerating electrons with a high voltage and allowing them to collide with a metal target. This high voltage presents fluctuations that define peak, minimum, and average voltages. Different voltages are applied to the X-ray tube depending on the radiographic applications. A rectifier circuit converts the alternating high voltage to unidirectional high voltage to accelerate electrons in this tube. The fluctuations on the energy in the electron beam depend on the mode of rectification. Both energy of the electrons and X rays intensity fluctuates. A portable probe built with a 6LiI(Eu) detector coupled to a 10 m light guide and a Hamamatsu photon counting head H9319 was used to measuring X ray intensities. This system is designed to collect up to 10000 counts in intervals of 10 ms to 1 s. Counts were accumulated in time intervals of 10 ms during 10 s. The system starts the count before activating the X-ray apparatus, which is on during a time interval of 100ms. During this period, counts may overflow in consequence high voltage was adjusted to be 40kV, in order to avoid such a problem. For each of these points dose was measured using an ionization chamber. The objectives of this work are to study fluctuations on the X-ray beam and to calibrate the portable probe for measuring radiation doses. Counting rates measured for each 10 ms presented strong variations due to high voltages fluctuations. Both dose and counting rate when correlated with distances between source and detector followed the inverse square law and presented values of R2 near of unit. A calibration curve of the portable system for dose measurements showed also R2 value near of unity. (author)

  9. Formalization of the Abstract Architecture of MAS Based on FIPA Specification

    Zheng Liwei(郑丽伟); Yu Xueli; Feng Xiufang

    2003-01-01

    The FIPA specification of MAS (multi-agent system)is accepted by most of the applications of MAS in the world, and has been used in many projects. This paper draws an abstract architecture from the FIPA based MAS, and gives formalization about it.

  10. O-17 NMR studies of some silicate crystals and glasses

    Yildirim, E K

    2000-01-01

    structure. Therefore some of the Sn has to be in three coordinated to oxygen for charge balancing. The sup 1 sup 7 O MAS NMR spectra of a partially crystallised sample showed three distinct sites which are assigned as Sn-O-Sn, Si-O-Sn, and Si-O-Si on the basis of their chemical shift. The C sub Q values obtained from the simulations of these peaks supports this assignment. The sup 2 sup 9 Si MAS NMR of the same sample showed two crystalline and a glassy peaks which are fitted to two crystalline and two glassy sites. The possible composition of this sample was calculated and found to be SiSn sub 8 O sub 1 sub 0. Crystalline and glassy silicates were investigated by means of sup 1 sup 7 O NMR. The dependence of the measured efg on the Si-O-AI bond angle was investigated in some crystalline aluminosilicate sodalites and kalsilite. The results show that C sub Q increases with increasing bond angle while eta decreases with increasing bond angle and they both follow a similar function to that found for the Si-O-Si ...

  11. Characterization of polymers by nuclear magnetic resonance (NMR)

    After having recalled some generalities which are necessary for the obtention of a spectrum and the method to be chosen, the author considers the use of the hydrogen 1 and carbon 13 high resolution nuclear magnetic resonance (in liquid and solid phase) on some examples in the field of polymers. In the case of the polymers in solution, this technology seems to be limited to liquid or soluble polymers and to insoluble polymers which are inflatable in some solvents. The other polymers (infusible and non-inflatable) require the use of the CP-MAS solid phase NMR (cross polarization magic angle spinning nuclear magnetic resonance). For liquids, the NMR allows to better know the microstructure of these compounds and to better understand the reaction mechanisms (in the case of poly-condensation, polymerization, degradation..) which can control the polymerization. The CP-MAS solid phase NMR is a particularly interesting method for the determination of insoluble three-dimensional polymers structures and for the study of the conformations and configurations of the chain carbonated skeleton. (O.M.). 46 refs., 18 figs

  12. MAS-SCM for Auto Sector-The Framework

    Ritu Sindhu

    2011-07-01

    Full Text Available The purpose of this study is to describe in detail the development status of the innovative Multi -Agent based supply chain management (MAS-SCMAS for auto sector. This study was undertaken in view of the significance of improvement in efficiency of automobile sector and the development of a good multi-agent system framework to achieve that. The factors affecting the efficiency or OEE of the industry and the efficiency properties were identified. It was clearly revealed that the available model do not fulfill the needs in the supply chain management of automobile industry and there is a scope for evolving new model resulting in better efficiency.

  13. The MAS Six Years in Power in Bolivia

    2012-01-01

    Review Essay of:– The Rise of Evo Morales and the MAS, by Sven Harten. London/New York: Zed Books, 2011.– Evo Morales and the Movimiento al Socialismo in Bolivia; The First Term in Context, edited by Adrian J. Pearce. London, Institute for the Study of the Americas, 2011.– El estado de derecho como tiranía, by Luis Tapia. La Paz: CIDES/UMSA, 2011.– From Rebellion to Reform in Bolivia: Class Struggle, Indigenous Liberation and the Politics of Evo Morales, by Jeffery R. Webber. Chicago: Haymark...

  14. Optimization of MAS and MODIS Polar ocean cloud mask

    Memmen, Sean P.

    2000-01-01

    With the reduction of funding for sea ice reconnaissance flights, the National/Naval Ice Center needs to capitalize on the improvements in satellite technology. Imaging sensors such as AVHRR, DMSP/OLS, SSM/I and RADARSAT have been used to detect the presence of sea ice, but with the exception of SSM/I and RADARSAT, clouds are a major obstacle to viewing the surface. With NASA's development of the Moderate-resolution Imaging Spectroradiometer (MODIS) and MODIS Airborne Simulator (MAS), there i...

  15. Solid-state NMR in the analysis of drugs and naturally occurring materials.

    Paradowska, Katarzyna; Wawer, Iwona

    2014-05-01

    This article presents some of the solid-state NMR (SSNMR) techniques used in the pharmaceutical and biomedical research. Solid-state magic angle spinning (MAS) NMR provides structural information on powder amorphous solids for which single-crystal diffraction structures cannot be obtained. NMR is non-destructive; the powder sample may be used for further studies. Quantitative results can be obtained, although solid-state NMR spectra are not normally quantitative. As compared with other techniques, MAS NMR is insensitive and requires a significant amount of the powder sample (2-100mg) to fill the 1.3-7 mm ZrO2 rotor. This is its main drawback, since natural compounds isolated from plants, microorganisms or cell cultures are difficult to obtain in quantities higher than a few milligrams. Multinuclear MAS NMR routinely uses (1)H and (13)C nuclei, less frequently (15)N, (19)F, (31)P, (77)Se, (29)Si, (43)Ca or (23)Na. The article focuses on the pharmaceutical applications of SSNMR, the studies were aimed to control over manufacturing processes (e.g. crystallization and milling) investigation of chemical and physical stability of solid forms both as pure drug and in a formulated product. SSNMR is used in combination with some other analytical methods (DSC, XRD, FT-IR) and theoretical calculations of NMR parameters. Biologically active compounds, such as amino acids and small peptides, steroids and flavonoids were studied by SSNMR methods (part 4) providing valuable structural information. The SSNMR experiments performed on biopolymers and large natural products like proteins, cellulose and lipid layers are commented upon briefly in part 5. PMID:24173236

  16. Carbon-13 solid state NMR studies in the aromatization of residual coals from hydropyrolised cellulose

    Pure cellulose was pyrolyzed is a fixed-bed reactor under hydrogen pressure (hydropyrolysis). Residual chars were collected and analysed by solid state nmr 13 C (CP-MAS) and elemental. Hydrophyrolysis parameters such as final temperature in the range of 300 to 520 deg C and hydrogen pressure from 5 to 100 atm gave different char samples. CP-MAS spectra were obtained in a BRUKER MSL-100 spectrometer. The results showed that the aromatic and aliphatic fractions had strong dependence with temperature and no influence with pressure. Elemental analysis indicated the carbon content increased more with temperature than the pressure increasing. (author)

  17. Asynchronous through-bond homonuclear isotropic mixing: application to carbon–carbon transfer in perdeuterated proteins under MAS

    Kulminskaya, Natalia; Vasa, Suresh Kumar; Giller, Karin; Becker, Stefan; Linser, Rasmus, E-mail: rali@nmr.mpibpc.mpg.de [Max Planck Institute for Biophysical Chemistry, Department of NMR-based Structural Biology (Germany)

    2015-11-15

    Multiple-bond carbon–carbon homonuclear mixing is a hurdle in extensively deuterated proteins and under fast MAS due to the absence of an effective proton dipolar-coupling network. Such conditions are now commonly employed in solid-state NMR spectroscopy. Here, we introduce an isotropic homonuclear {sup 13}C–{sup 13}C through-bond mixing sequence, MOCCA, for the solid state. Even though applied under MAS, this scheme performs without rotor synchronization and thus does not pose the usual hurdles in terms of power dissipation for fast spinning. We compare its performance with existing homonuclear {sup 13}C–{sup 13}C mixing schemes using a perdeuterated and partially proton-backexchanged protein. Based on the analysis of side chain carbon–carbon correlations, we show that particularly MOCCA with standard 180-degree pulses and delays leading to non-rotor-synchronized spacing performs exceptionally well. This method provides high magnetization transfer efficiency for multiple-bond transfer in the aliphatic region compared with other tested mixing sequences. In addition, we show that this sequence can also be tailor-made for recoupling within a selected spectral region using band-selective pulses.

  18. Asynchronous through-bond homonuclear isotropic mixing: application to carbon–carbon transfer in perdeuterated proteins under MAS

    Multiple-bond carbon–carbon homonuclear mixing is a hurdle in extensively deuterated proteins and under fast MAS due to the absence of an effective proton dipolar-coupling network. Such conditions are now commonly employed in solid-state NMR spectroscopy. Here, we introduce an isotropic homonuclear 13C–13C through-bond mixing sequence, MOCCA, for the solid state. Even though applied under MAS, this scheme performs without rotor synchronization and thus does not pose the usual hurdles in terms of power dissipation for fast spinning. We compare its performance with existing homonuclear 13C–13C mixing schemes using a perdeuterated and partially proton-backexchanged protein. Based on the analysis of side chain carbon–carbon correlations, we show that particularly MOCCA with standard 180-degree pulses and delays leading to non-rotor-synchronized spacing performs exceptionally well. This method provides high magnetization transfer efficiency for multiple-bond transfer in the aliphatic region compared with other tested mixing sequences. In addition, we show that this sequence can also be tailor-made for recoupling within a selected spectral region using band-selective pulses

  19. μHigh resolution-magic-angle spinning NMR spectroscopy for metabolic phenotyping of Caenorhabditis elegans.

    Wong, Alan; Li, Xiaonan; Molin, Laurent; Solari, Florence; Elena-Herrmann, Bénédicte; Sakellariou, Dimitris

    2014-06-17

    Analysis of model organisms, such as the submillimeter-size Caenorhabditis elegans, plays a central role in understanding biological functions across species and in characterizing phenotypes associated with genetic mutations. In recent years, metabolic phenotyping studies of C. elegans based on (1)H high-resolution magic-angle spinning (HR-MAS) nuclear magnetic resonance (NMR) spectroscopy have relied on the observation of large populations of nematodes, requiring labor-intensive sample preparation that considerably limits high-throughput characterization of C. elegans. In this work, we open new platforms for metabolic phenotyping of C. elegans mutants. We determine rich metabolic profiles (31 metabolites identified) from samples of 12 individuals using a (1)H NMR microprobe featuring high-resolution magic-angle coil spinning (HR-MACS), a simple conversion of a standard HR-MAS probe to μHR-MAS. In addition, we characterize the metabolic variations between two different strains of C. elegans (wild-type vs slcf-1 mutant). We also acquire a NMR spectrum of a single C. elegans worm at 23.5 T. This study represents the first example of a metabolomic investigation carried out on a small number of submillimeter-size organisms, demonstrating the potential of NMR microtechnologies for metabolomics screening of small model organisms. PMID:24897622

  20. Nuclear shadowing in polarized DIS on ^6LiD at small x and its effect on the extraction of the deuteron spin structure function g_{1}^{d}(x,Q^2)

    Guzey, V.

    2000-01-01

    We consider the effect of nuclear shadowing in polarized deep inelastic scattering (DIS) on ^6LiD at small Bjorken x and its relevance to the extraction of the deuteron spin structure function g_{1}^{d}(x,Q^2). Using models, which describe nuclear shadowing in unpolarized DIS, we demonstrate that the nuclear shadowing correction to g_{1}^{d}(x,Q^2) is significant.

  1. An explanation for the high stability of polycarboxythiophenes in photovoltaic devices—A solid-state NMR dipolar recoupling study

    Bierring, M.; Nielsen, J.S.; Siu, Ana;

    2008-01-01

    acid carbon atoms were measured by C-13 solid-state magic-angle-spinning (MAS) NMR using symmetry-based double-quantum (2Q) dipolar recoupling. This revealed the presence of C-13-C-13 distances of 3.85 angstrom, which correspond to the C-C distance in hydrogen-bonded carboxylic acid dimers. In spite of...

  2. Milli-Arcsecond (MAS) Imaging of the Solar Corona

    Davila, Joseph M.; Oktem, Figen S.; Kamalabadi, Farzad; O'Neill, John; Novo-Gradac, Anne-Marie; Daw, Adrian N.; Rabin, Douglas M.

    2016-05-01

    Dissipation in the solar corona is believed to occur in extremely thin current sheets of order 1-100 km. Emission from these hot but thin current sheets should be visible in coronal EUV emission lines. However, this spatial scale is far below the resolution of existing imaging instruments, so these dissipation sites have never been observed individually. Conventional optics cannot be manufactured with sufficient surface figure accuracy to obtain the required spatial resolution in the extreme-ultraviolet where these hot plasmas radiate. A photon sieve, a diffractive imaging element similar to a Fresnel zone plate, can be manufactured to provide a few milli-arcsec (MAS) resolution, with much more readily achievable tolerances than with conventional imaging technology. Prototype photon sieve elements have been fabricated and tested in the laboratory. A full-scale ultra-high resolution instrument will require formation flying and computational image deconvolution. Significant progress has been made in overcoming these challenges, and some recent results in these areas are discussed. A simple design for a sounding rocket concept demonstration payload is presented that obtains 80 MAS (0.080 arcsec) imaging with a 100 mm diameter photon sieve to image Fe XIV 334 and Fe XVI 335. These images will show the structure of the corona at a resolution never before obtained, and they will also allow a study of the temperature structure in the dissipation region.

  3. Measurement of tritium production rates in a multi-layer breeding blanket mock-up with 6Li-enriched Li2TiO3 and D-T neutrons

    Experiments with breeding blanket mock-ups composed of layers of beryllium, ferritic steel F82H and 6Li enriched lithium titanate, Li2TiO3, are currently under investigation at Fusion Neutronics Source (FNS) of JAERI. Pellets of Li2TiO3 and Li2CO3 enriched to the proper 6Li concentration were used as detectors inside the tritium breeding layer. Additional detectors containing 32S and 35C1 were applied to estimate the tritium production due to 6Li and 7Li experimentally. After irradiation, the pellets were dissolved and the tritium activity in the sample solution was measured by liquid scintillation counting. A method for measuring the tritium production directly in lithium titanate was developed. The experimental values were compared with calculations based on the Monte Carlo code MCNP-4C, the continuous transport library fsxlb33 derived from the new neutron cross section evaluation JENDL-3.3 and the actx1 dosimetry file from FENDL-2. The calculations tend to overestimate the TPR similar to previous integral experiments with clean beryllium assemblies

  4. Measurement of cross section ratios of anti sigmasub(na)(sup(10)B)/ssigmasub(f)(sup(235)U) and anti sigmasub(n,a)(sup(6)Li)sup(235)U in fast neutron spectrum

    The method of measurements of cross section ratios of (n, d) reactions on 10B and 6Li isotopes and cross section of 235U fission in fast neutron spectrum with the help of solid state track detectors is proposed. The method is based on detection of d-particles produced in the reaction H1 H0B(N]7Li and 6Li(n, d)3H with the help of track detectors while artificial mica-fluorophlogopit has served as the detector of fission fragments. The conducted investigations have shown that the meanings of anti σsub(n, a) (6Li)/σsub(f)(sup(235U) and σsub(n5)) (sup(10)B/σsub(f) (sup(235)U) in the cells of fast reactors can be measured by the present methods with approximately 3% error. The attenuators of d-particle energy are needed to increase the accuracy of σsub(n, d)(Li)/σsub(f)(sup(235)U) measurement. The attenuators are placed between the source and the detector to shift the a-particle energy to the side of lower energies in the range where the efficiency of d-particle detection retains constant meaning

  5. Contribution to the study of the inelastic scattering 6Li(n,n') on the 0+ level situated at 3.56 MeV with 14 MeV neutrons

    This work is dedicated to the experimental study of the 14 MeV neutron scattering on the 3.56 MeV level of 6Li. The 14 MeV neutrons are produced through the reaction T(d,n)α where the 175 keV deuterons come from the ARIANE accelerator. The measurement of the neutron energy has been performed by a time-of-flight spectrometer. In order to reduce the gamma background noise, an electronic device has been designed to build a n-γ identification system at low threshold (about 0.5 MeV). The target is made of Lithium enriched in 6Li at a ratio of 96%. The results concerning the differential cross-section of 6Li(n,n') with Q=-3.56 MeV for the following values of the scattered angle (in the laboratory frame) 15, 45 and 60 degrees are respectively (4±1.5) mb/sr, (2.2±1) mb/sr and (1.4±0.6) mb/sr

  6. Functional studies using NMR

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

  7. The importance of having different isotopes in NMR/NQR studies

    One of the powers of Nuclear Magnetic Resonance (NMR) as a spectroscopic tool arises from the fact that each stable element of the periodic table (except for Ar and Tc) has at least one isotope that possesses a nuclear magnetic dipole moment and hence can be employed in a NMR experiment. For the benefit of the researcher, 36 elements have even several magnetic isotopes, e.g. H, Li, B, N, Cl, K, Cu, Xe, Ba. Furthermore, there are 62 elements which possess at least one isotope having a nuclear quadrupole moment and thus, in addition to NMR, allow Nuclear Quadrupole Resonance (NQR) experiments. Given this rich supply of isotopes, no wonder that chemical compounds with different isotopes of the same element, for instance H2O and D2O, play an important role in NMR studies. Well known are the structural investigations in liquids by NMR (high-resolution NMR) where, e.g., hydrogen is replaced by deuterium if a certain bond is of special interest. The hydrogen bond studies in ferroelectrics using also deuterium substitution are a typical example from solid-state physics. In our review, we will present less known but representative examples where the NMR study of two isotopes of the same element yields important information on very different characteristic features of the compound (structure, dynamics etc.). We will discuss the following examples: i) Determination of the type of molecular movements of a transient Xe molecule in the gas phase (by using the Xe isotopes 129 Xe and 131 Xe); ii) Classical nature of the isotope effect of the Li diffusion coefficient in Li metal (7 Li and 6 Li in solid Li); iii) Magnetic and electric origin of spin-lattice relaxation and other quantities in cuprate superconductors 63 Cu and 65 Cu); iv) Isotope shift of the temperature of the opening of the spin gap in the superconductor YBa2Cu4O8 (16 O and 18 O exchanged samples). (author)

  8. Characterization of zeolites by magic-angle-spinning NMR

    Magic-angle-spinning nuclear magnetic resonance (MAS NMR) has been used to study structure defects in TPA/ZSM-5, the dealumination process caused by hydrothermal treatment and acid leaching of zeolites, the influence of Lewis sites upon water as a probe molecule, the boron incorporation into the ZSM-5 framework, and the acid sites and structure defects in SAPO-5. The nuclei under study are 1H, 11B, 27Al, 29Si, and 31P. 24 refs.; 7 figs.; 1 table

  9. Renal transplant NMR

    The preliminary results of NMR evaluation of renal transplants (Txs) are reported including correlation with nuclear medicine (NM) and ultrasound (US). Thirteen Txs (8 cadaver (Cd), 5 living related doner (LRD) in 13 patients (6M, 7F) ranging in age from 25-47 (x 35) were evaluated by NM (32), NMR (15) and US (5). Clinical diagnoses included: rejection (8), ATN (2), infarction (1), and normal (2). Of the 8 patients with rejection (5) Cd; 3 LRD) pathologic proof was obtained in 3. An experimental 0.12 T resistive magnet (GE) was used with a partial saturation technique with repetition time (TR) of 143 and 286 msec to provide T1 weighting. T2 weighted information was obtained with a spin echo technique with echo times (TE) of 20, 40, 60 and 80 msec. The NMR appearance of normal Txs consisted of a uniform signal intensity (Tx> pelvic musculature), well-defined internal architecture with good cortical medullary differentiation and normal appearing vessels. The NMR appearance of abnormal transplants consisted of a heterogeneous or overall decrease in signal intensity (kidney muscle) with poor cortical medullary differentiation with or without a halo of decreased signal intensity. Although NMR was able to differentiate normal from abnormal, it was unable to clearly discriminate between ATN and rejection. Advantages of NMR included the ability to demonstrate regional anatomy, vasculature, post operative fluid collections and hematomas, and associated avascular necrosis of the hips

  10. An Improved NMR Study of Liposomes Using 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospatidylcholine as Model

    AnnaLaura Segre

    2006-05-01

    Full Text Available In this paper we report a comparative characterization of Small UnilamellarVesicles (SUVs, Large Unilamellar Vesicles (LUVs and Multilamellar Vesicles (MLVsprepared from 1-palmitoyl-2-oleoyl-sn-glycero-3-phospatidylcholine (POPC, carried outusing two NMR techniques, namely High Resolution NMR in solution and HighResolution–Magic Angle Spinning (HR-MAS. The size and size distributions of thesevesicles were investigated using the dynamic light scattering technique. An improvedassignment of the 1H-NMR spectrum of MLVs is also reported.

  11. The MAS Six Years in Power in Bolivia

    Ton Salman

    2012-04-01

    Full Text Available Review Essay of:– The Rise of Evo Morales and the MAS, by Sven Harten. London/New York: Zed Books, 2011.– Evo Morales and the Movimiento al Socialismo in Bolivia; The First Term in Context, edited by Adrian J. Pearce. London, Institute for the Study of the Americas, 2011.– El estado de derecho como tiranía, by Luis Tapia. La Paz: CIDES/UMSA, 2011.– From Rebellion to Reform in Bolivia: Class Struggle, Indigenous Liberation and the Politics of Evo Morales, by Jeffery R. Webber. Chicago: Haymarket Books, 2011.– La democracia desde los márgenes: Transformaciones en el campo político boliviano, by María Teresa Zegada, with Claudia Arce, Gabriela Canedo and Alber Quispe. La Paz: Muela del Diablo Editores/CLACSO, 2011.

  12. MODIS Airborne simulator (MAS) Final Report for CLASIC

    Thomas Arnold; Steven Platnick

    2010-11-24

    The MAS was flown aboard the NASA ER-2 for the CLASIC field experiment, and for all data collected, provided calibrated and geolocated (Level-1B) radiance data for it’s 50 spectral bands (ranging in wavelength for 0.47 to 14.3 µm). From the Level-1B data, as directed in the Statement of Work, higher order (Level-2) data products were derived. The Level-2 products include: a) cloud optical thickness, b) cloud effective radius, c) cloud top height (temperature), d) cloud fraction, e) cloud phase products. Preliminary Level-1B and Level-2 products were provided during the field experiment (typically within one or two days of data collection). Final version data products were made available in December 2008 following considerable calibration analysis. Data collection, data processing (to Level-2), and discussion of the calibration work are summarized below.

  13. Solid state NMR studies of gels derived from low molecular mass gelators.

    Nonappa; Kolehmainen, E

    2016-07-13

    Since its invention more than six decades ago, nuclear magnetic resonance (NMR) spectroscopy has evolved as an inevitable part of chemical as well as structural analysis of small molecules, polymers, biomaterials and hybrid materials. In the solution state, due to the increased viscosity of complex viscoelastic fluids such as gels, liquid crystals and other soft materials, the rate of molecular tumbling is reduced, which in turn affects the chemical shift anisotropy, dipolar and quadrupolar interactions. As a consequence the solution state NMR spectra show broad lines, and therefore, extracting detailed structural information is a challenging task. In this context, solid state (SS) NMR has the ability to distinguish between a minute amount of polymorphic forms, conformational changes, and the number of non-equivalent molecules in an asymmetric unit of a crystal lattice, and to provide both qualitative as well as quantitative analytical data with a short-range order. Therefore, SS NMR has continued to evolve as an indispensable tool for structural analysis and gave birth to a new field called NMR crystallography. Solid state cross polarization (CP) and high resolution (HR) magic angle spinning (MAS) NMR spectroscopy has been used to study weak interactions in polymer gels. However, the application of SS NMR spectroscopy to study gels derived from low molecular weight gelators has been limited until recently. In this review, we will focus on the importance of solid state NMR spectroscopy in understanding and elucidating the structure of supramolecular gels derived from low molecular weight gelators with selected examples. PMID:27374054

  14. Solid-State NMR Characterization of Mixed Phosphonic Acid Ligand Binding and Organization on Silica Nanoparticles.

    Davidowski, Stephen K; Holland, Gregory P

    2016-04-01

    As ligand functionalization of nanomaterials becomes more complex, methods to characterize the organization of multiple ligands on surfaces is required. In an effort to further the understanding of ligand-surface interactions, a combination of multinuclear ((1)H, (29)Si, (31)P) and multidimensional solid-state nuclear magnetic resonance (NMR) techniques was utilized to characterize the phosphonic acid functionalization of fumed silica nanoparticles using methylphosphonic acid (MPA) and phenylphosphonic acid (PPA). (1)H → (29)Si cross-polarization (CP)-magic angle spinning (MAS) solid-state NMR was used to selectively detect silicon atoms near hydrogen atoms (primarily surface species); these results indicate that geminal silanols are preferentially depleted during the functionalization with phosphonic acids. (1)H → (31)P CP-MAS solid-state NMR measurements on the functionalized silica nanoparticles show three distinct resonances shifted upfield (lower ppm) and broadened compared to the resonances of the crystalline ligands. Quantitative (31)P MAS solid-state NMR measurements indicate that ligands favor a monodentate binding mode. When fumed silica nanoparticles were functionalized with an equal molar ratio of MPA and PPA, the MPA bound the nanoparticle surface preferentially. Cross-peaks apparent in the 2D (1)H exchange spectroscopy (EXSY) NMR measurements of the multiligand sample at short mixing times indicate that the MPA and PPA are spatially close (≤5 Å) on the surface of the nanostructure. Furthermore, (1)H-(1)H double quantum-single quantum (DQ-SQ) back-to-back (BABA) 2D NMR spectra further confirmed that MPA and PPA are strongly dipolar coupled with observation of DQ intermolecular contacts between the ligands. DQ experimental buildup curves and simulations indicate that the average distance between MPA and PPA is no further than 4.2 ± 0.2 Å. PMID:26914738

  15. Food Waste Composting Study from Makanan Ringan Mas

    Kadir, A. A.; Ismail, S. N. M.; Jamaludin, S. N.

    2016-07-01

    The poor management of municipal solid waste in Malaysia has worsened over the years especially on food waste. Food waste represents almost 60% of the total municipal solid waste disposed in the landfill. Composting is one of low cost alternative method to dispose the food waste. This study is conducted to compost the food waste generation in Makanan Ringan Mas, which is a medium scale industry in Parit Kuari Darat due to the lack knowledge and exposure of food waste recycling practice. The aim of this study is to identify the physical and chemical parameters of composting food waste from Makanan Ringan Mas. The physical parameters were tested for temperature and pH value and the chemical parameter are Nitrogen, Phosphorus and Potassium. In this study, backyard composting was conducted with 6 reactors. Tapioca peel was used as fermentation liquid and soil and coconut grated were used as the fermentation bed. Backyard composting was conducted with six reactors. The overall results from the study showed that the temperature of the reactors were within the range which are from 30° to 50°C. The result of this study revealed that all the reactors which contain processed food waste tend to produce pH value within the range of 5 to 6 which can be categorized as slightly acidic. Meanwhile, the reactors which contained raw food waste tend to produce pH value within the range of 7 to 8 which can be categorized as neutral. The highest NPK obtained is from Reactor B that process only raw food waste. The average value of Nitrogen is 48540 mg/L, Phosphorus is 410 mg/L and Potassium is 1550 mg/L. From the comparison with common chemical fertilizer, it shows that NPK value from the composting are much lower than NPK of the common chemical fertilizer. However, comparison with NPK of organic fertilizer shown only slightly difference value in NPK.

  16. Characterization of Al30 in commercial poly-aluminum chlorohydrate by solid-state (27)Al NMR spectroscopy.

    Phillips, Brian L; Vaughn, John S; Smart, Scott; Pan, Long

    2016-08-15

    Investigation of commercially produced hydrolysis salts of aluminum by solid-state (27)Al NMR spectroscopy and size-exclusion chromatography (SEC) reveals well-defined and distinct Al environments that can be related to physicochemical properties. (27)Al MAS and MQ-MAS NMR spectroscopic data show that the local structure of the solids is dominated by moieties that closely resemble the Al30 polyoxocation (Al30O8(OH)56(H2O)26(18+)), accounting for 72-85% of the total Al. These Al30-like clusters elute as several size fractions by SEC. Comparison of the SEC and NMR results indicates that the Al30-like clusters includes intact isolated clusters, moieties of larger polymers or aggregates, and possibly fragments resembling δ-Al13 Keggin clusters. The coagulation efficacy of the solids appears to correlate best with the abundance of intact Al30-like clusters and of smaller species available to promote condensation reactions. PMID:27232539

  17. Synthesis and solid state NMR characterization of novel peptide/silica hybrid materials.

    Werner, Mayke; Heil, Andreas; Rothermel, Niels; Breitzke, Hergen; Groszewicz, Pedro Braga; Thankamony, Aany Sofia; Gutmann, Torsten; Buntkowsky, Gerd

    2015-11-01

    The successful synthesis and solid state NMR characterization of silica-based organic-inorganic hybrid materials is presented. For this, collagen-like peptides are immobilized on carboxylate functionalized mesoporous silica (COOH/SiOx) materials. A pre-activation of the silica material with TSTU (O-(N-Succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate) is performed to enable a covalent binding of the peptides to the linker. The success of the covalent immobilization is indicated by the decrease of the (13)C CP-MAS NMR signal of the TSTU moiety. A qualitative distinction between covalently bound and adsorbed peptide is feasible by (15)N CP-MAS Dynamic Nuclear Polarization (DNP). The low-field shift of the (15)N signal of the peptide's N-terminus clearly identifies it as the binding site. The DNP enhancement allows the probing of natural abundance (15)N nuclei, rendering expensive labeling of peptides unnecessary. PMID:26411982

  18. 13C NMR spectroscopy of methane adsorbed in SAPO-11 molecular sieve

    Koskela, Tuomas; Ylihautala, Mika; Vaara, Juha; Jokisaari, Jukka

    1996-10-01

    Static 13C and 13C-{ 1H} NMR spectra of carbon-13 enriched methane ( 13CH 4) adsorbed into SAPO-11 molecular sieve were recorded at variable temperatures. Moreover, the corresponding MAS NMR spectra were measured. These experiments reveal a temperature-dependent, anisotropic and asymmetric 13C nuclear shielding tensor. Ab initio model calculations of methane in the field of a positive point charge suggest that the deformation of the shielding tensor may be related to the interaction between the methane molecule and the charge-compensating protons. A comparison with existing Xe data is made.

  19. Solid-state NMR enhanced by dynamic nuclear polarization as a novel tool for ribosome structural biology.

    Gelis, Ioannis; Vitzthum, Veronika; Dhimole, Neha; Caporini, Marc A; Schedlbauer, Andreas; Carnevale, Diego; Connell, Sean R; Fucini, Paola; Bodenhausen, Geoffrey

    2013-06-01

    The impact of Nuclear Magnetic Resonance (NMR) on studies of large macromolecular complexes hinges on improvements in sensitivity and resolution. Dynamic nuclear polarization (DNP) in the solid state can offer improved sensitivity, provided sample preparation is optimized to preserve spectral resolution. For a few nanomoles of intact ribosomes and an 800 kDa ribosomal complex we demonstrate that the combination of DNP and magic-angle spinning NMR (MAS-NMR) allows one to overcome current sensitivity limitations so that homo- and heteronuclear (13)C and (15)N NMR correlation spectra can be recorded. Ribosome particles, directly pelleted and frozen into an NMR rotor, yield DNP signal enhancements on the order of ~25-fold and spectra that exhibit narrow linewidths, suitable for obtaining site-specific information. We anticipate that the same approach is applicable to other high molecular weight complexes. PMID:23689811

  20. Solid-state NMR enhanced by dynamic nuclear polarization as a novel tool for ribosome structural biology

    The impact of Nuclear Magnetic Resonance (NMR) on studies of large macromolecular complexes hinges on improvements in sensitivity and resolution. Dynamic nuclear polarization (DNP) in the solid state can offer improved sensitivity, provided sample preparation is optimized to preserve spectral resolution. For a few nanomoles of intact ribosomes and an 800 kDa ribosomal complex we demonstrate that the combination of DNP and magic-angle spinning NMR (MAS-NMR) allows one to overcome current sensitivity limitations so that homo- and heteronuclear 13C and 15N NMR correlation spectra can be recorded. Ribosome particles, directly pelleted and frozen into an NMR rotor, yield DNP signal enhancements on the order of ∼25-fold and spectra that exhibit narrow linewidths, suitable for obtaining site-specific information. We anticipate that the same approach is applicable to other high molecular weight complexes.

  1. Perencanaan Disain Deep Dig Arm pada Kapal Water Witch Untuk Pengerukan Sampah di Kali Mas Surabaya

    Tony Bambang Musriyadi; Erno Setyawan; Irfan Syarif Arief

    2014-01-01

    Kali Mas merupaka salah satu Sungai di Surabaya yang bermanfaat bagi hajat hidup penduduk Surabaya,Namun seiring berjalan waktu Kali Mas mengalami pendangkalan dan polusi sampah padat akibat pembuangan sampah sembarangan.Oleh karena itu penting untuk melakuakan pengerukan sendimen dan sampah yang efektif dan tepat agar tidak menggangu fungsi utama dari Kali Mas,maka perlu suatu alat untuk pengerukan,Backhoe dreger merupak alat yang tepat untuk pengerukan, akan tetapi harus disesuaikan lengan ...

  2. An HR-MAS MR Metabolomics Study on Breast Tissues Obtained with Core Needle Biopsy

    MuLan Li; Yonghyun Song; Nariya Cho; Jung Min Chang; Hye Ryoung Koo; Ann Yi; Hyeonjin Kim; Sunghyouk Park; Woo Kyung Moon

    2011-01-01

    BACKGROUND: Much research has been devoted to the development of new breast cancer diagnostic measures, including those involving high-resolution magic angle spinning (HR-MAS) magnetic resonance (MR) spectroscopic techniques. Previous HR-MAS MR results have been obtained from post-surgery samples, which limits their direct clinical applicability. METHODOLOGY/PRINCIPAL FINDINGS: In the present study, we performed HR-MAS MR spectroscopic studies on 31 breast tissue samples (13 cancer and 18 non...

  3. MOS-2: A Two-Dimension Space for Positioning MAS Organizational Models

    Abbas, Hosny; Shaheen, Samir

    2015-01-01

    The increased complexity and dynamism of present and future Multi-Agent Systems (MAS) enforce the need for considering both of their static (design-time) and the dynamic (run-time) aspects. A type of balance between the two aspects can definitely give better results related to system stability and adaptivity. MAS organization is the research area that is concerned with these issues and it is currently a very active and interesting research area. Designing a MAS with an initial organization an...

  4. Synthesis and NMR characterization of SAPO-35 from non-aqueous systems using hexamethyleneimine template

    SAPO-35 was synthesized using hexamethyleneimine template in non-aqueous systems. X-ray diffraction and scanning electron micrograph analysis shows the synthesized sample is pure and well crystalline. Presence of four stages (1.6%, 0.8%, 7.8% and 8.4%) of weight loss is observed by TG/DTA analysis. FT-IR analysis in the framework region shows the presence of tetrahedral T-O-T vibrations is similar to the other known aluminophosphate molecular sieves. FT-IR spectrum in the -OH region shows stretching vibrations at 3631, 3604 and 3580 cm-1 can be assigned to OH groups in bigger cages near S6R, in bigger cages near D6R and those actually confined inside the D6R, respectively. The spectra for the as-synthesized sample show a single symmetrical 27Al MAS NMR line at δ = 36.26 indicating the presence of a single tetrahedral aluminium species. Where as 29Si and 31P MAS NMR shows the presence of two peaks in both at (-89.9 and -95.15 ppm) and (-34.01 and -40.45 ppm) due to the Si substitution of P present in two different locations in double 6 ring (D6R) and in single 6 ring (S6R). 27Al 3Q-MAS NMR shows two peaks for environmentally different tetrahedral aluminium atoms. This is the first time we are showing such a fact which is not observable using ordinary MAS NMR

  5. Phosphorus 31 solid state NMR characterization of oligonucleotides covalently bound to a solid support.

    Macdonald, P M; Damha, M J; Ganeshan, K; Braich, R; Zabarylo, S V

    1996-01-01

    31P cross polarization (CP) magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were acquired for various linear and branched di- and tri-nucleotides attached to a controlled pore glass (CPG) solid support. The technique readily distinguishes the oxidation state of the phosphorus atom (phosphate versus phosphate), the presence or absence of a protecting group attached directly to phosphorus (cyanoethyl), and other large changes in the phosphorus chemistry (phosphate versus pho...

  6. Powder NMR crystallography of new polyanhydride injectable microbead formulations of decitabine

    Brus, Jiří; Švec, P.; Czernek, Jiří; Husak, M.; Hrubý, Martin; Kobera, Libor; Urbanová, Martina; Policianová, Olivia

    Aveiro: University of Aveiro, 2015. s. 28. [International conference on Advanced Nanomaterials /6./, International conference on Graphene Technology /1./, International conference on Hydrogen Energy /1./ - ANM2015. 20.07.2015-22.07.2015, Aveiro] R&D Projects: GA ČR(CZ) GA14-03636S; GA MPO(CZ) FR-TI4/625 Institutional support: RVO:61389013 Keywords : MAS NMR * buccal films * ciclopirox Subject RIV: CD - Macromolecular Chemistry

  7. Solid-state NMR study of stability of geopolymers prepared from alkaline activated metakaoline

    Brus, Jiří; Urbanová, Martina; Koloušek, D.; Andertová, J.

    Zagreb : Faculty of Science & Faculty of Mining, Geology and Petroleum Engineering , University of Zagreb, 2006 - (Vlahovic, I.; Tibljaš, D.). s. 31 ISBN 953-6076-09-8. [Mid-European Clay Conference /3./. 18.09.2006-23.9.2006, Opatia] R&D Projects: GA ČR GA103/03/0506; GA MŠk 2B06120 Institutional research plan: CEZ:AV0Z40500505 Keywords : geopolymers * MAS NMR Subject RIV: JI - Composite Materials

  8. NMR Aerosolomics: Novel NMR Method for Organic Aerosol Analysis

    Horník, Štěpán; Schwarz, Jaroslav; Sýkora, Jan

    - : -, 2015, s. 162. ISBN N. [Small Molecule NMR Conference - SMASH 2015. Baveno (IT), 20.09.2015-23.09.2015] Institutional support: RVO:67985858 Keywords : aerosol * analysis * NMR Subject RIV: CC - Organic Chemistry

  9. NMR imaging technique

    This invention provides a method that can be adapted to existing NMR tomographic scanners of producing spectra of any given point in the image of the specimen slice, the intensity distribution of a selected resonance within an area of the image of the specimen slice, or an entire NMR spectrum of the given area. The method comprises acquiring n projections of the specimen slice, where n is greater than 1. Each of the projections is then shifted by Δ f for the point (the frequency offset of the signal arising from the point, from the true chemical shift)

  10. Study of metabolic changes in cornea and lens induced by UV radiation and steroids with mas NMR spectroscopy

    Midelfart, A.; Seather, O.; Risa, O.; Krane, J.; Čejková, Jitka

    Geneva : ogranizator symposia, 2002. s. 47. [International congress of eye research /15./. 06.10.2002-10.10.2002, Geneva] R&D Projects: GA MZd NG16 Keywords : UV radiation Subject RIV: FF - HEENT, Dentistry

  11. Friedel's salt formation in sulfoaluminate cements: A combined XRD and {sup 27}Al MAS NMR study

    Paul, G. [Dipartimento di Scienze ed Innovazione Tecnologica, Università del Piemonte Orientale A. Avogadro, Viale T. Michel 11, 15121 Alessandria (Italy); Boccaleri, E., E-mail: enrico.boccaleri@mfn.unipmn.it [Dipartimento di Scienze ed Innovazione Tecnologica, Università del Piemonte Orientale A. Avogadro, Viale T. Michel 11, 15121 Alessandria (Italy); Buzzi, L.; Canonico, F. [Buzzi Unicem S.p.A., Via L. Buzzi 6, 15033 Casale Monferrato (Italy); Gastaldi, D., E-mail: dgastaldi@buzziunicem.it [Buzzi Unicem S.p.A., Via L. Buzzi 6, 15033 Casale Monferrato (Italy)

    2015-01-15

    Four different binders based on calcium sulfoaluminate cements have been submitted to accelerated chlorination through ionic exchange on hydrated pastes, in order to investigate their ability to chemically bind chloride ions that might reduce chloride penetration. The composition of hydrated cements before and after the treatment was evaluated by means of an X-Ray Diffraction–{sup 27}Al Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy combined study, allowing to take into account even partially amorphous phases and to make quantitative assumption on the relative abundance of the different aluminium-containing phases. It was found that low SO{sub 3} Sulfoaluminate–Portland ternary systems are the most effective in binding chloride ions and the active role played by different members of the AFm family in chloride uptake was confirmed. Moreover, a peculiar behavior related to the formation of Friedel's salt in different pH conditions was also established for the different cements.

  12. Hydration properties and phosphorous speciation in native, gelatinized and enzymatically modified potato starch analyzed by solid-state MAS NMR

    Larsen, Flemming H.; Kasprzak, Miroslaw Marek; Lærke, Helle Nygaard;

    2013-01-01

    . Comparative analysis of wheat and waxy maize starches demonstrated that starches were similar upon gelatinization independent of botanical origin and that the torsion angles of the glycosidic linkages were averages of the crystalline A and B type structures. In starch suspension phosphorous in immobile...... regions was only observed in NA starch. Moreover phosphorous was observed in a minor pH-insensitive form and as major phosphate in hydrated GEL and BE starches....

  13. Sample preparation of membrane proteins suitable for solid-state MAS NMR and development of assignment strategies

    Hiller, Matthias

    2009-01-01

    Although the basic structure of biological membranes is provided by the lipid bilayer, most of the specific functions are carried out by membrane proteins (MPs) such as channels, ion-pumps and receptors. Additionally, it is known, that mutations in MPs are directly or indirectly involved in many diseases. Thus, structure determination of MPs is of major interest not only in structural biology but also in pharmacology, especially for drug development. Advances in structural biology of membrane...

  14. Acidic properties of SSZ-33 and SSZ-35 novel zeolites: a complex infrared and MAS NMR study

    Žilková, Naděžda; Gil, B.; Zones, S. I.; Hwang, S.-J.; Voláková, Martina; Čejka, Jiří

    Oxford: Elsevier B.V./Ltd, 2008 - (Gédéon, A.; Massiani, P.; Babonneau, F.), s. 1027-1032. (Studies in surface science and catalysis. Vol. 174). ISBN 978-0-444-53297-8. [International FEZA Conference /4./. Paris (FR), 01.09.2008-04.09.2008] R&D Projects: GA ČR GA104/07/0383; GA AV ČR 1QS400400560 Institutional research plan: CEZ:AV0Z40400503 Keywords : SSZ-33 * SSZ-35 * zeolites * acidity Subject RIV: CF - Physical ; Theoretical Chemistry

  15. NMR a substitute for CT

    The possibility that NMR (Nuclear Magnetic Resonance) can be a substitute for CT (Computerized Tomography), is described. NMR focus on the nuclei in the atoms of certain elements, for example hydrogen

  16. International symposium on NMR spectroscopy

    The publication consists of 32 papers and presentations from the field of NMR spectroscopy applications submitted to the International Symposium on NMR Spectroscopy held at Smolenice between 29 Sep and 3 Oct, 1980. (B.S.)

  17. 中子探测用含6Li玻璃闪烁材料最新进展%Development of Containing 6Li Glass Scintillators for Neutron Detection

    陈艳平; 罗德礼

    2012-01-01

    Since the development of first generation glass scintillators for neutron detection in the 1950s, glass scintillators have played an increasingly unsubstitutional role in the fields of nuclear physics, high energy physics, industry detection (neutron spectrum measurement, neutron radiography, a, p, and γ-ray detection in extreme environments). Most researches were concentrated on containing 6Li, 10B silicate, phosphate, fluoro-oxide glass doped with lanthanide ions (Ce3+, Tb3+, Pr3+, etc.). This paper described performance characteristic, development history and luminescence mechanism of glass scintillators, then focused on studies about preparation methods, optical properties, neutron detection efficiency and luminescence delay time measurement of containing 6Li silicate glass, containing 6Li phosphate glasses, 6Li fluoxygen glasses and other glass scintillators, and pointed out future development trends and application fields of glass scintillators.%自上世纪50年代第一代玻璃闪烁材料开发以来,玻璃闪烁材料在核物理、高能物理、工业探测(中子能谱测量、中子射线照相术及极端环境下α、β与γ射线的探测等)等领域发挥着越来越难以替代的作用.中子探测用玻璃闪烁材料的研究集中于镧系离子(Ce3+、Tb3+、Pr3+等)掺杂含6Li、10B等中子吸收截面较大核素的硅酸盐、磷酸盐、铝酸盐上.本文由中子探测用玻璃闪烁材料的性能特点、发展历程与发光机理出发,重点关注了含6Li硅酸盐玻璃、磷酸盐玻璃、氟氧玻璃及其它玻璃闪烁材料的制备方法、光学性能、荧光衰减时间及中子探测效率等性能研究,并对玻璃闪烁材料的发展趋势及未来应用方向作出了展望.

  18. The search for a main cause of uncertainty of the calculated astrophysical S factor for the direct radiative capture d(α, γ)6Li reaction at stellar energies

    Full text: It is well known that the d( α,γ )6Li reaction is one of the sources of the 6Li production in the Big Bang nucleosynthesis. At the present time rather large uncertainties exist in the prediction of the rate of this reaction, which are mainly due to the absence both of the reliable experimental cross section (or the astrophysical S factor, S(E)) and of the theoretical calculations at extremely low energies E (E ≤ 600 keV) (see [1] and references therein). The aim of our work is to find out the principal cause of the existing large spread of the calculated values of S(E) at extremely low energies obtained by different authors, including the results of the present work. The basic idea of our consideration is that the d( α, γ)6Li reaction at such energies is predominantly peripheral [2]-[4]. Therefore the values of S(E) at extremely low energies are mainly determined by the nuclear vertex constant (NVC) (or by the asymptotic normalization constant (ANC)) for the virtual decay 6Li→α+ d. Taking this circumstance into account, we calculated the NVC for the virtual decay 6Li→α + d in the framework of three- body ( np) Faddeev equations in the momentum space. The Malfliet-Tjon and Graz potentials for NN interaction and the Sack-Biedenharn-Breit and Yamaguchi type potentials for αN interaction were used. The results of our calculations show that the obtained values of the NVC (or the ANC) are sensitive to the form of NN and αN potentials. This result is also corroborated by the values of the NVC calculated within the microscopic model using the Minnesota and Volkov potentials for NN- interaction [5]. The values of the NVC obtained in the present work were used to determine the values of the astrophysical S factor for the direct radiative capture d( α,γ )6Li reaction at extremely low energies. It is shown that the values of the NVC corresponding to the different forms of NN and αN potentials lead to the different values of the astrophysical factor

  19. Experimental determination of sensitivity of DN-A-1 dosimeter and 6LiJ(Eu) scintillation detector in sphere polyethylene moderators in the 30 keV neutron energy range

    DH-A-1 dosimeter and 6LiJ(Eu) detector, located in the center of polyethylene spheres with various diameters, were calibrated by means of neutrons with the energy of about 30 keV. The data on the detectors responses enable one to determine the shape of responses as a function of neutron energy more definitely at the energy range from some keV to some tens of keV. For DN-A-1 dosimeter response at neutrons and at neutrons in the energy range of about 30 keV the agreement is better than the uncertainties of measurements (about 20%)

  20. A 16-ch module for thermal neutron detection using ZnS:${}^6$LiF scintillator with embedded WLS fibers coupled to SiPMs and its dedicated readout electronics

    Mosset, J -B; Greuter, U; Gromov, A; Hildebrandt, M; Panzner, T; Schlumpf, N

    2016-01-01

    A scalable 16-ch thermal neutron detection system has been developed in the framework of the upgrade of a neutron diffractometer. The detector is based on ZnS:${}^6$LiF scintillator with embedded WLS fibers which are read out with SiPMs. In this paper, we present the 16-ch module, the dedicated readout electronics, a direct comparison between the performance of the diffractometer obtained with the current ${}^3$He detector and with the 16-ch detection module, and the channel-to-channel uniformity.