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Sample records for angle spinning mas

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

    International Nuclear Information System (INIS)

    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)

  2. 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)

    Energy Technology Data Exchange (ETDEWEB)

    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)

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

    OpenAIRE

    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.

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

    Science.gov (United States)

    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.

  5. Spinning angle optical calibration apparatus

    Science.gov (United States)

    Beer, Stephen K.; Pratt, II, Harold R.

    1991-01-01

    An optical calibration apparatus is provided for calibrating and reproducing spinning angles in cross-polarization, nuclear magnetic resonance spectroscopy. An illuminated magnifying apparatus enables optical setting an accurate reproducing of spinning "magic angles" in cross-polarization, nuclear magnetic resonance spectroscopy experiments. A reference mark scribed on an edge of a spinning angle test sample holder is illuminated by a light source and viewed through a magnifying scope. When the "magic angle" of a sample material used as a standard is attained by varying the angular position of the sample holder, the coordinate position of the reference mark relative to a graduation or graduations on a reticle in the magnifying scope is noted. Thereafter, the spinning "magic angle" of a test material having similar nuclear properties to the standard is attained by returning the sample holder back to the originally noted coordinate position.

  6. Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization.

    Science.gov (United States)

    Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva

    2015-09-01

    Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea-eb-n} during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle. This

  7. 27Al Magic Angle Spinning–Nuclear Magnetic Resonance (MAS-NMR) Analyses Applied to Historical Mortars

    Czech Academy of Sciences Publication Activity Database

    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

  8. High-pressure magic angle spinning nuclear magnetic resonance.

    Science.gov (United States)

    Hoyt, David W; Turcu, Romulus V F; Sears, Jesse A; Rosso, Kevin M; Burton, Sarah D; Felmy, Andrew R; Hu, Jian Zhi

    2011-10-01

    A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure rotor loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve by abrading the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other removable plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal loss of pressure for 72 h. As an application example, in situ(13)C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg(2)SiO(4)) reacted with supercritical CO(2) and H(2)O at 150 bar and 50°C are reported, with relevance to geological sequestration of carbon dioxide. PMID:21862372

  9. High-pressure Magic Angle Spinning Nuclear Magnetic Resonance

    International Nuclear Information System (INIS)

    A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve to include micro-groves at the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal penetration loss of pressure for 72 hours. As an application example, in situ 13C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg2SiO4) reacted with supercritical CO2 and H2O at 150 bar and 50 C are reported, with relevance to geological sequestration of carbon dioxide.

  10. Quantum Computation Based on Magic-Angle-Spinning Solid State Nuclear Magnetic Resonance Spectroscopy

    OpenAIRE

    Ding, Shangwu; McDowell, Charles A.; Ye, Chaohui; Zhan, Mingsheng; Zhu, Xiwen; Gao, Kelin; Sun, Xianping; Mao, Xi-An; Liu, Maili

    2001-01-01

    Magic-angle spinning (MAS) solid state nuclear magnetic resonance (NMR) spectroscopy is shown to be a promising technique for implementing quantum computing. The theory underlying the principles of quantum computing with nuclear spin systems undergoing MAS is formulated in the framework of formalized quantum Floquet theory. The procedures for realizing state labeling, state transformation and coherence selection in Floquet space are given. It suggests that by this method, the largest number o...

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

    Science.gov (United States)

    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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-14

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

  13. Characterization of zeolites by magic-angle-spinning NMR

    International Nuclear Information System (INIS)

    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

  14. High-resolution NMR spectroscopy of biological tissues usingprojected Magic Angle Spinning

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Rachel W.; Jachmann, Rebecca C.; Sakellariou, Dimitris; Nielsen, Ulla Gro; Pines, Alexander

    2005-01-27

    High-resolution NMR spectra of materials subject toanisotropic broadening are usually obtained by rotating the sample aboutthe magic angle, which is 54.7 degrees to the static magnetic field. Inprojected Magic Angle Spinning (p-MAS), the sample is spun about twoangles, neither of which is the magic angle. This provides a method ofobtaining isotropic spectra while spinning at shallow angles. The p-MASexperiment may be used in situations where spinning the sample at themagic angle is not possible due to geometric or other constraints,allowing the choice of spinning angle to be determined by factors such asthe shape of the sample, rather than by the spin physics. The applicationof this technique to bovine tissue samples is demonstrated as a proof ofprinciple for future biological or medical applications.

  15. The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

    International Nuclear Information System (INIS)

    We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between “bulk” and “core” nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei

  16. Moderate positive spin Hall angle in uranium

    Science.gov (United States)

    Singh, Simranjeet; Anguera, Marta; del Barco, Enrique; Springell, Ross; Miller, Casey W.

    2015-12-01

    We report measurements of spin pumping and the inverse spin Hall effect in Ni80Fe20/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni80Fe20 (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 1019 m-2 and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics.

  17. Moderate positive spin Hall angle in uranium

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Simranjeet; Anguera, Marta; Barco, Enrique del, E-mail: delbarco@ucf.edu, E-mail: cwmsch@rit.edu [Department of Physics, University of Central Florida, Orlando, Florida 32816 (United States); Springell, Ross [H. H. Will Laboratory, University of Bristol, Bristol BS2 8BS (United Kingdom); Miller, Casey W., E-mail: delbarco@ucf.edu, E-mail: cwmsch@rit.edu [School of Chemistry and Materials Science, Rochester Institute of Technology, Rochester, New York 14623 (United States)

    2015-12-07

    We report measurements of spin pumping and the inverse spin Hall effect in Ni{sub 80}Fe{sub 20}/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni{sub 80}Fe{sub 20} (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 10{sup 19} m{sup −2} and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics.

  18. Moderate positive spin Hall angle in uranium

    International Nuclear Information System (INIS)

    We report measurements of spin pumping and the inverse spin Hall effect in Ni80Fe20/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni80Fe20 (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 1019 m−2 and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics

  19. Devices and process for high-pressure magic angle spinning nuclear magnetic resonance

    Science.gov (United States)

    Hoyt, David W; Sears, Jr., Jesse A; Turcu, Romulus V.F.; Rosso, Kevin M; Hu, Jian Zhi

    2014-04-08

    A high-pressure magic angle spinning (MAS) rotor is detailed that includes a high-pressure sample cell that maintains high pressures exceeding 150 bar. The sample cell design minimizes pressure losses due to penetration over an extended period of time.

  20. Magnetic resonance imaging of DNP enhancements in a rotor spinning at the magic angle

    Science.gov (United States)

    Perras, Frédéric A.; Kobayashi, Takeshi; Pruski, Marek

    2016-03-01

    Simulations performed on model, static, samples have shown that the microwave power is non-uniformly distributed in the magic angle spinning (MAS) rotor when using conventional dynamic nuclear polarization (DNP) instrumentation. Here, we applied the stray-field magic angle spinning imaging (STRAFI-MAS) experiment to generate a spatial map of the DNP enhancements in a full rotor, which is spun at a low rate in a commercial DNP-MAS NMR system. Notably, we observed that the enhancement factors produced in the center of the rotor can be twice as large as those produced at the top of the rotor. Surprisingly, we observed that the largest enhancement factors are observed along the axis of the rotor as opposed to against its walls, which are most directly irradiated by the microwave beam. We lastly observed that the distribution of enhancement factors can be moderately improved by degassing the sample and increasing the microwave power. The inclusion of dielectric particles greatly amplifies the enhancement factors throughout the rotor. The STRAFI-MAS approach can provide useful guidance for optimizing the access of microwave power to the sample, and thereby lead to further increases in sensitivity of DNP-MAS NMR.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-24

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

  2. Combined zero-quantum and spin-diffusion mixing for efficient homonuclear correlation spectroscopy under fast MAS: broadband recoupling and detection of long-range correlations

    Energy Technology Data Exchange (ETDEWEB)

    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

  3. Dynamic nuclear polarization at 40 kHz magic angle spinning.

    Science.gov (United States)

    Chaudhari, Sachin R; Berruyer, Pierrick; Gajan, David; Reiter, Christian; Engelke, Frank; Silverio, Daniel L; Copéret, Christophe; Lelli, Moreno; Lesage, Anne; Emsley, Lyndon

    2016-04-21

    DNP-enhanced solid-state NMR spectroscopy under magic angle spinning (MAS) is rapidly developing into a powerful analytical tool to investigate the structure of a wide range of solid materials, because it provides unsurpassed sensitivity gains. Most developments and applications of DNP MAS NMR were so far reported at moderate spinning frequencies (up to 14 kHz using 3.2 mm rotors). Here, using a 1.3 mm MAS DNP probe operating at 18.8 T and ∼100 K, we show that signal amplification factors can be increased by up to a factor two when using smaller volume rotors as compared to 3.2 mm rotors, and report enhancements of around 60 over a range of sample spinning rates from 10 to 40 kHz. Spinning at 40 kHz is also shown to increase (29)Si coherence lifetimes by a factor three as compared to 10 kHz, substantially increasing sensitivity in CPMG type experiments. The contribution of quenching effects to the overall sensitivity gain at very fast MAS is evaluated, and applications are reported on a functionalised mesostructured organic-inorganic material. PMID:27035630

  4. Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe

    OpenAIRE

    Nanni, Emilio A.; Barnes, Alexander B.; Matsuki, Yoh; Woskov, Paul P.; Corzilius, Björn; Griffin, Robert G.; Temkin, Richard J.

    2011-01-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B[subscript 1S]) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4 mm diameter sapphire rotor containing the sample. The p...

  5. Studies of phospholipid hydration by high-resolution magic-angle spinning nuclear magnetic resonance.

    OpenAIRE

    Zhou, Z.; Sayer, B G; Hughes, D. W.; Stark, R E; Epand, R M

    1999-01-01

    A sample preparation method using spherical glass ampoules has been used to achieve 1.5-Hz resolution in 1H magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectra of aqueous multilamellar dispersions of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), serving to differentiate between slowly exchanging interlamellar and bulk water and to reveal new molecular-level information about hydration phenomena in these model biolo...

  6. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

    Energy Technology Data Exchange (ETDEWEB)

    Thurber, Kent R., E-mail: thurberk@niddk.nih.gov; Tycko, Robert [Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520 (United States)

    2014-05-14

    We report solid state {sup 13}C and {sup 1}H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, {sup 1}H and cross-polarized {sup 13}C NMR signals from {sup 15}N,{sup 13}C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T{sub 1e} is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations.

  7. Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves

    International Nuclear Information System (INIS)

    We report solid state 13C and 1H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, 1H and cross-polarized 13C NMR signals from 15N,13C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T1e is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations

  8. High Resolution Magic Angle Spinning 1H-NMR Metabolic Profiling of Nanoliter Biological Tissues at High Magnetic Field

    Energy Technology Data Exchange (ETDEWEB)

    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.

  9. Quantum Computation Based on Magic-Angle-Spinning Solid State Nuclear Magnetic Resonance Spectroscopy

    CERN Document Server

    Ding, S; Ye, C; Zhan, M S; Zhu, X; Gao, K; Sun, X; Mao, X A; Liu, M; Ding, Shangwu; Dowell, Charles A. Mc; Ye, Chaohui; Zhan, Mingsheng; Zhu, Xiwen; Gao, Kelin; Sun, Xianping; Mao, Xi-An; Liu, Maili

    2001-01-01

    Magic-angle spinning (MAS) solid state nuclear magnetic resonance (NMR) spectroscopy is shown to be a promising technique for implementing quantum computing. The theory underlying the principles of quantum computing with nuclear spin systems undergoing MAS is formulated in the framework of formalized quantum Floquet theory. The procedures for realizing state labeling, state transformation and coherence selection in Floquet space are given. It suggests that by this method, the largest number of qubits can easily surpass that achievable with other techniques. Unlike other modalities proposed for quantum computing, this method enables one to adjust the dimension of the working state space, meaning the number of qubits can be readily varied. The universality of quantum computing in Floquet space with solid state NMR is discussed and a demonstrative experimental implementation of Grover's search is given.

  10. Systematic evaluation of heteronuclear spin decoupling in solid-state NMR at the rotary-resonance conditions in the regime of fast magic-angle spinning.

    Science.gov (United States)

    Sharma, Kshama; Madhu, P K; Agarwal, Vipin

    2016-09-01

    The performance of heteronuclear spin decoupling sequences in solid-state NMR severely degrades when the proton radiofrequency (RF) nutation frequencies (ν1) are close to or at multiples of magic-angle spinning (MAS) frequency (νr) that are referred to as rotary-resonance recoupling conditions (ν1=n·νr). Recently, two schemes, namely, PISSARRO and rCW(ApA), have been shown to be less affected by the problem of MAS and RF interference, specifically at the n=2 rotary-resonance recoupling condition, especially in the fast MAS regime. Here, we systematically evaluate the loss in intensity of several heteronuclear spin decoupling sequences at the n=1, 2 conditions compared to high-power decoupling in the fast-MAS regime. We propose that in the fast-MAS regime (above 40kHz) the entire discussion about RF and MAS interference can be avoided by using appropriate low-power decoupling sequences which give comparable performance to decoupling sequences with high-power (1)H irradiation of ca.195kHz. PMID:27472380

  11. Quantifying Spin Hall Angles from Spin Pumping: Experiments and Theory

    NARCIS (Netherlands)

    Mosendz, O.; Pearson, J.E.; Fradin, F.Y.; Bauer, G.E.W.; Bader, S.D.; Hoffmann, A.

    2010-01-01

    Spin Hall effects intermix spin and charge currents even in nonmagnetic materials and, therefore, ultimately may allow the use of spin transport without the need for ferromagnets. We show how spin Hall effects can be quantified by integrating Ni80Fe20|normal metal (N) bilayers into a coplanar wavegu

  12. μHigh resolution-magic-angle spinning NMR spectroscopy for metabolic phenotyping of Caenorhabditis elegans.

    Science.gov (United States)

    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

  13. Microfabricated inserts for magic angle coil spinning (MACS wireless NMR spectroscopy.

    Directory of Open Access Journals (Sweden)

    Vlad Badilita

    Full Text Available This article describes the development and testing of the first automatically microfabricated probes to be used in conjunction with the magic angle coil spinning (MACS NMR technique. NMR spectroscopy is a versatile technique for a large range of applications, but its intrinsically low sensitivity poses significant difficulties in analyzing mass- and volume-limited samples. The combination of microfabrication technology and MACS addresses several well-known NMR issues in a concerted manner for the first time: (i reproducible wafer-scale fabrication of the first-in-kind on-chip LC microresonator for inductive coupling of the NMR signal and reliable exploitation of MACS capabilities; (ii improving the sensitivity and the spectral resolution by simultaneous spinning the detection microcoil together with the sample at the "magic angle" of 54.74° with respect to the direction of the magnetic field (magic angle spinning - MAS, accompanied by the wireless signal transmission between the microcoil and the primary circuit of the NMR spectrometer; (iii given the high spinning rates (tens of kHz involved in the MAS methodology, the microfabricated inserts exhibit a clear kinematic advantage over their previously demonstrated counterparts due to the inherent capability to produce small radius cylindrical geometries, thus tremendously reducing the mechanical stress and tearing forces on the sample. In order to demonstrate the versatility of the microfabrication technology, we have designed MACS probes for various Larmor frequencies (194, 500 and 700 MHz testing several samples such as water, Drosophila pupae, adamantane solid and LiCl at different magic angle spinning speeds.

  14. NMR longitudinal relaxation enhancement in metal halides by heteronuclear polarization exchange during magic-angle spinning.

    Science.gov (United States)

    Shmyreva, Anna A; Safdari, Majid; Furó, István; Dvinskikh, Sergey V

    2016-06-14

    Orders of magnitude decrease of (207)Pb and (199)Hg NMR longitudinal relaxation times T1 upon magic-angle-spinning (MAS) are observed and systematically investigated in solid lead and mercury halides MeX2 (Me = Pb, Hg and X = Cl, Br, I). In lead(ii) halides, the most dramatic decrease of T1 relative to that in a static sample is in PbI2, while it is smaller but still significant in PbBr2, and not detectable in PbCl2. The effect is magnetic-field dependent but independent of the spinning speed in the range 200-15 000 Hz. The observed relaxation enhancement is explained by laboratory-frame heteronuclear polarization exchange due to crossing between energy levels of spin-1/2 metal nuclei and adjacent quadrupolar-spin halogen nuclei. The enhancement effect is also present in lead-containing organometal halide perovskites. Our results demonstrate that in affected samples, it is the relaxation data recorded under non-spinning conditions that characterize the local properties at the metal sites. A practical advantage of fast relaxation at slow MAS is that spectral shapes with orientational chemical shift anisotropy information well retained can be acquired within a shorter experimental time. PMID:27306000

  15. NMR longitudinal relaxation enhancement in metal halides by heteronuclear polarization exchange during magic-angle spinning

    Science.gov (United States)

    Shmyreva, Anna A.; Safdari, Majid; Furó, István; Dvinskikh, Sergey V.

    2016-06-01

    Orders of magnitude decrease of 207Pb and 199Hg NMR longitudinal relaxation times T1 upon magic-angle-spinning (MAS) are observed and systematically investigated in solid lead and mercury halides MeX2 (Me = Pb, Hg and X = Cl, Br, I). In lead(ii) halides, the most dramatic decrease of T1 relative to that in a static sample is in PbI2, while it is smaller but still significant in PbBr2, and not detectable in PbCl2. The effect is magnetic-field dependent but independent of the spinning speed in the range 200-15 000 Hz. The observed relaxation enhancement is explained by laboratory-frame heteronuclear polarization exchange due to crossing between energy levels of spin-1/2 metal nuclei and adjacent quadrupolar-spin halogen nuclei. The enhancement effect is also present in lead-containing organometal halide perovskites. Our results demonstrate that in affected samples, it is the relaxation data recorded under non-spinning conditions that characterize the local properties at the metal sites. A practical advantage of fast relaxation at slow MAS is that spectral shapes with orientational chemical shift anisotropy information well retained can be acquired within a shorter experimental time.

  16. Rotor Design for High Pressure Magic Angle Spinning Nuclear Magnetic Resonance

    International Nuclear Information System (INIS)

    High pressure magic angle spinning (MAS) nuclear magnetic resonance (NMR) with a sample spinning rate exceeding 2.1 kHz and pressure greater than 165 bar has never been realized. In this work, a new sample cell design is reported, suitable for constructing cells of different sizes. Using a 7.5 mm high pressure MAS rotor as an example, internal pressure as high as 200 bar at a sample spinning rate of 6 kHz is achieved. The new high pressure MAS rotor is re-usable and compatible with most commercial NMR set-ups, exhibiting low 1H and 13C NMR background and offering maximal NMR sensitivity. As an example of its many possible applications, this new capability is applied to determine reaction products associated with the carbonation reaction of a natural mineral, antigorite ((Mg,Fe2+)3Si2O5(OH)4), in contact with liquid water in water-saturated supercritical CO2 (scCO2) at 150 bar and 50 deg C. This mineral is relevant to the deep geologic disposal of CO2, but its iron content results in too many sample spinning sidebands at low spinning rate. Hence, this chemical system is a good case study to demonstrate the utility of the higher sample spinning rates that can be achieved by our new rotor design. We expect this new capability will be useful for exploring solid-state, including interfacial, chemistry at new levels of high-pressure in a wide variety of fields.

  17. Nonadiabatic Hannay's Angle of Spin One Half in Grassmannian Version and Invariant Angle Coherent States

    OpenAIRE

    Cherbal, Omar; Maamache, Mustapha; Drir, Mahrez

    2003-01-01

    We propose to determinate the nonadiabatic Hannay’s angle of spin one half in a varying external magnetic field, by using an averaged version of the variational principal. We also show how the evolution and this nonadiabatic Hannay’s angle is associated with the evolution of Grassmannian invariant-angle coherent states.

  18. A spin- and angle-resolving photoelectron spectrometer

    International Nuclear Information System (INIS)

    A new type of hemispherical electron energy analyzer that permits angle and spin resolved photoelectron spectroscopy has been developed. The analyzer permits standard angle resolved spectra to be recorded with a two-dimensional detector in parallel with spin detection using a mini-Mott polarimeter. General design considerations as well as technical solutions are discussed and test results from the Au(111) surface state are presented.

  19. Probing structure and dynamics of protein assemblies by magic angle spinning NMR spectroscopy.

    Science.gov (United States)

    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

  20. High-pressure, high-temperature magic angle spinning nuclear magnetic resonance devices and processes for making and using same

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jian Zhi; Hu, Mary Y.; Townsend, Mark R.; Lercher, Johannes A.; Peden, Charles H. F.

    2015-10-06

    Re-usable ceramic magic angle spinning (MAS) NMR rotors constructed of high-mechanic strength ceramics are detailed that include a sample compartment that maintains high pressures up to at least about 200 atmospheres (atm) and high temperatures up to about least about 300.degree. C. during operation. The rotor designs minimize pressure losses stemming from penetration over an extended period of time. The present invention makes possible a variety of in-situ high pressure, high temperature MAS NMR experiments not previously achieved in the prior art.

  1. Direct detection of solanesol in tobacco by 1H and 13C magic angle spinning NMR

    International Nuclear Information System (INIS)

    1H and 13C NMR have been used to detect solanesol directly in tobacco without destroying or modifying the sample. Magic angle sample spinning was employed to remove the resonance line broadening due to variations of magnetic susceptibility within the sample. 13C line widths of ca . 10 Hz were obtained. The 1H MAS spectrum of tobacco allows the solanesol signals to be resolved from the broad signal of exchangeable protons. 13C spin-lattice relaxation times (T3) and nuclear Overhauser enhancements (NOE) of solanesol in chloroform solution, in intact tobacco, and as nest oil indicate that the polyisoprene chain motion in tobacco is restricted relative to the motion in solution but still sufficient to average out the dipolar couplings between protons and carbons. (author)

  2. Dynamic-angle spinning and double rotation of quadrupolar nuclei

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) spectroscopy of quadrupolar nuclei is complicated by the coupling of the electric quadrupole moment of the nucleus to local variations in the electric field. The quadrupolar interaction is a useful source of information about local molecular structure in solids, but it tends to broaden resonance lines causing crowding and overlap in NMR spectra. Magic- angle spinning, which is routinely used to produce high resolution spectra of spin-1/2 nuclei like carbon-13 and silicon-29, is incapable of fully narrowing resonances from quadrupolar nuclei when anisotropic second-order quadrupolar interactions are present. Two new sample-spinning techniques are introduced here that completely average the second-order quadrupolar coupling. Narrow resonance lines are obtained and individual resonances from distinct nuclear sites are identified. In dynamic-angle spinning (DAS) a rotor containing a powdered sample is reoriented between discrete angles with respect to high magnetic field. Evolution under anisotropic interactions at the different angles cancels, leaving only the isotropic evolution of the spin system. In the second technique, double rotation (DOR), a small rotor spins within a larger rotor so that the sample traces out a complicated trajectory in space. The relative orientation of the rotors and the orientation of the larger rotor within the magnetic field are selected to average both first- and second-order anisotropic broadening. The theory of quadrupolar interactions, coherent averaging theory, and motional narrowing by sample reorientation are reviewed with emphasis on the chemical shift anisotropy and second-order quadrupolar interactions experienced by half-odd integer spin quadrupolar nuclei. The DAS and DOR techniques are introduced and illustrated with application to common quadrupolar systems such as sodium-23 and oxygen-17 nuclei in solids

  3. Dynamic-angle spinning and double rotation of quadrupolar nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, K.T. (Lawrence Berkeley Lab., CA (United States) California Univ., Berkeley, CA (United States). Dept. of Chemistry)

    1991-07-01

    Nuclear magnetic resonance (NMR) spectroscopy of quadrupolar nuclei is complicated by the coupling of the electric quadrupole moment of the nucleus to local variations in the electric field. The quadrupolar interaction is a useful source of information about local molecular structure in solids, but it tends to broaden resonance lines causing crowding and overlap in NMR spectra. Magic- angle spinning, which is routinely used to produce high resolution spectra of spin-{1/2} nuclei like carbon-13 and silicon-29, is incapable of fully narrowing resonances from quadrupolar nuclei when anisotropic second-order quadrupolar interactions are present. Two new sample-spinning techniques are introduced here that completely average the second-order quadrupolar coupling. Narrow resonance lines are obtained and individual resonances from distinct nuclear sites are identified. In dynamic-angle spinning (DAS) a rotor containing a powdered sample is reoriented between discrete angles with respect to high magnetic field. Evolution under anisotropic interactions at the different angles cancels, leaving only the isotropic evolution of the spin system. In the second technique, double rotation (DOR), a small rotor spins within a larger rotor so that the sample traces out a complicated trajectory in space. The relative orientation of the rotors and the orientation of the larger rotor within the magnetic field are selected to average both first- and second-order anisotropic broadening. The theory of quadrupolar interactions, coherent averaging theory, and motional narrowing by sample reorientation are reviewed with emphasis on the chemical shift anisotropy and second-order quadrupolar interactions experienced by half-odd integer spin quadrupolar nuclei. The DAS and DOR techniques are introduced and illustrated with application to common quadrupolar systems such as sodium-23 and oxygen-17 nuclei in solids.

  4. Mixture diffusion of adsorbed organic compounds in metal-organic frameworks as studied by magic-angle spinning pulsed-field gradient nuclear magnetic resonance

    International Nuclear Information System (INIS)

    The magic-angle spinning (MAS) and pulsed-field gradient nuclear magnetic resonance (PFG NMR) techniques have been combined using a commercially available microimaging system providing a gradient in the magic-angle direction of up to ±2.6 T m-1, together with a narrow bore MAS probe. By narrowing the spectral linewidths, detection of the single and mixed molecular species adsorbed in porous material and their respective mobilities becomes possible. Here, we report on protocols for MAS PFG NMR measurements, new methods for the indispensable sample alignment along the MAS rotational axis and gradient direction and first experimental results of diffusion studies on n-hexane and benzene adsorbed in the metal-organic framework MOF-5.

  5. Spin-bowling in cricket re-visited: model trajectories for various spin-vector angles

    Science.gov (United States)

    Robinson, Garry; Robinson, Ian

    2016-08-01

    In this paper we investigate, via the calculation of model trajectories appropriate to slow bowling in cricket, the effects on the flight path of the ball before pitching due to changes in the angle of the spin-vector. This was accomplished by allowing the spin-vector to vary in three ways. Firstly, from off-spin, where the spin-vector points horizontally and directly down the pitch, to top-spin where it points horizontally towards the off-side of the pitch. Secondly, from off-spin to side-spin where, for side-spin, the spin-vector points vertically upwards. Thirdly, where the spin-vector points horizontally and at 45° to the pitch (in the general direction of ‘point’, as viewed by the bowler), and is varied towards the vertical, while maintaining the 45° angle in the horizontal plane. It is found that, as is well known, top-spin causes the ball to dip in flight, side-spin causes the ball to move side-ways in flight and, perhaps most importantly, off-spin can cause the ball to drift to the off-side of the pitch late in its flight as it begins to fall. At a more subtle level it is found that, if the total spin is kept constant and a small amount of top-spin is added to the ball at the expense of some off-spin, there is little change in the side-ways drift. However, a considerable reduction in the length at which the ball pitches occurs, ∼25 cm, an amount that batsmen can ignore at their peril. On the other hand, a small amount of side-spin introduced to a top-spin delivery does not alter the point of pitching significantly, but produces a considerable amount of side-ways drift, ∼10 cm or more. For pure side-spin the side-ways drift is up to ∼30 cm. When a side-spin component is added to the spin of a ball bowled with a mixture of off-spin and top-spin in equal proportions, significant movement occurs in both the side-ways direction and in the point of pitching, of the order of a few tens of centimetres.

  6. Modulation of cross polarization in motionally averaged solids by Variable Angle Spinning NMR

    OpenAIRE

    Espinosa, Catalina A.; Thureau, Pierre; Shapiro, Rebecca A.; Litvak, Ilya M.; Martin, Rachel W.

    2011-01-01

    In systems where the dipolar couplings are partially averaged by molecular motion, cross-polarization is modulated by sample spinning. The cross-polariation efficiency in Variable Angle Spinning (VAS) and Switched Angle Spinning (SAS) experiments on mobile samples is therefore strongly dependent on the spinning angle. We describe simulations and experimental measurements of these effects over a range of spinning angles from 0° to 90°.

  7. Solid state nuclear magnetic resonance with magic-angle spinning and dynamic nuclear polarization below 25 K

    Science.gov (United States)

    Thurber, Kent R.; Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-01-01

    We describe an apparatus for solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS) at 20-25 K and 9.4 Tesla. The MAS NMR probe uses helium to cool the sample space and nitrogen gas for MAS drive and bearings, as described earlier [1], but also includes a corrugated waveguide for transmission of microwaves from below the probe to the sample. With a 30 mW circularly polarized microwave source at 264 GHz, MAS at 6.8 kHz, and 21 K sample temperature, greater than 25-fold enhancements of cross-polarized 13C NMR signals are observed in spectra of frozen glycerol/water solutions containing the triradical dopant DOTOPA-TEMPO when microwaves are applied. As demonstrations, we present DNP-enhanced one-dimensional and two-dimensional 13C MAS NMR spectra of frozen solutions of uniformly 13C-labeled L-alanine and melittin, a 26-residue helical peptide that we have synthesized with four uniformly 13C-labeled amino acids.

  8. Birefringent neutron prisms for spin echo scattering angle measurement

    Energy Technology Data Exchange (ETDEWEB)

    Pynn, Roger, E-mail: rpynn@indiana.ed [Indiana University, Bloomington, IN (United States); Oak Ridge National Laboratory, Oak Ridge, TN (United States); Fitzsimmons, M.R. [Los Alamos National Laboratory, Los Alamos, NM (United States); Lee, W.T. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Stonaha, P.; Shah, V.R.; Washington, A.L. [Indiana University, Bloomington, IN (United States); Kirby, B.J.; Majkrzak, C.F.; Maranville, B.B. [National Institute of Standards and Technology (United States)

    2009-09-01

    In the first decade of the 19th century, an English chemist, William Wollaston, invented an arrangement of birefringent prisms that splits a beam of light into two spatially separated beams with orthogonal polarizations. We have constructed similar devices for neutrons using triangular cross-section solenoids and employed them for Spin Echo Scattering Angle Measurement (SESAME). A key difference between birefringent neutron prisms and their optical analogues is that it is hard to embed the former in a medium which has absolutely no birefringence because this implies the removal of all magnetic fields. We have overcome this problem by using the symmetry properties of the Wollaston neutron prisms and of the overall spin echo arrangement. These symmetries cause a cancellation of Larmor phase aberrations and provide robust coding of neutron scattering angles with simple equipment.

  9. Heating of samples induced by fast magic-angle spinning

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří

    2001-01-01

    Roč. 16, č. 3 (2001), s. 151-160. ISSN 0926-2040 R&D Projects: GA ČR GA203/98/P290; GA MŠk VS97115; GA AV ČR KSK2050602 Institutional research plan: CEZ:AV0Z4050913 Keywords : heating * magic-angle spinning * nuclear magnetic resonance Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.295, year: 2001

  10. Fluid flow dynamics in MAS systems.

    Science.gov (United States)

    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

  11. Pulsar Binary Birthrates with Spin-Opening Angle Correlations

    CERN Document Server

    O'Shaughnessy, Richard

    2009-01-01

    Empirical birthrate estimates for pulsar binaries depend on the fraction of sky subtended by the pulsar beam: the pulsar beaming fraction. This fraction depends on both the pulsar's opening angle and the misalignment angle between its spin and magnetic axes. Previous estimates use the average value for only two pulsars, i.e. PSRs B1913+16 and B1534+12. We explore how birthrate predictions depend on assumptions about opening angle and alignment, using empirically-motivated distributions to define an effective beaming correction factor, f_{b,eff}. For most known pulsars, we expect f_{b,eff} to be less than 6. We also calculate f_{b,eff} for PSRs J0737-3039A and J1141-6545, applying the currently available constraints for their beam geometry. Our median posterior birthrate predictions for tight PSR-NS binaries, wide PSR-NS binaries, and tight PSR-WD binaries are 89/Myr, 0.84/Myr, and 34/Myr, respectively. For pulsars with spin period between 10 ms and 100 ms, we marginalized our posterior birthrate distribution ...

  12. High-resolution NMR of anisotropic samples with spinning away from the magic angle

    Energy Technology Data Exchange (ETDEWEB)

    Sakellariou, Dimitris; Meriles, Carlos A.; Martin, Rachel W.; Pines, Alexander

    2003-03-31

    High-resolution NMR of samples in the solid state is typically performed under mechanical sample spinning around an axis that makes an angle, called the magic angle, of 54.7 degrees with the static magnetic field. There are many cases in which geometrical and engineering constraints prevent spinning at this specific angle. Implementations of in-situ and ex-situ magic angle field spinning might be extremely demanding because of the power requirements or an inconvenient sample size or geometry. Here we present a methodology based on switched angle spinning between two angles, none of which is the magic angle, which provide both isotropic and anisotropic information. Using this method, named Projected Magic Angle Spinning, we were able to obtain resolved isotropic chemical shifts in spinning samples where the broadening is mostly inhomogeneous.

  13. Correlation between spin Hall angle and spin diffusion length determined by means of spin torque ferromagnetic resonance technique

    International Nuclear Information System (INIS)

    Spin torque ferromagnetic resonance (ST-FMR) in ferromagnetic metal (FM)/nonmagnetic metal (NM) bilayer films is one of the powerful methods to determine the spin Hall angle (SHA), conversion yield between charge and spin currents. Here we describe how to estimate the SHA and the spin diffusion length (SDL) from ST-FMR spectra. Although these two are fundamental parameters to characterize the spin Hall effect (SHE), there is still a heavy debate regarding their magnitudes even for platinum, which is the standard SHE material; reported values of SHA and SDL using FM/NM bilayer films vary very widely and there seems to be no correlation among SHA, SDL, and resistivity. In this work, we relate the three important physical quantities, i.e., SHA, SDL and resistivity, from their temperature dependences. (author)

  14. Effective Floquet Hamiltonian for spin = 1 in magic angle spinning NMR using contact transformation

    Indian Academy of Sciences (India)

    Manoj Kumar Pandey; Mangala Sunder Krishnan

    2007-09-01

    Contact transformation is an operator transformation method in time-independent perturbation theory which is used successfully in molecular spectroscopy to obtain an effective Hamiltonian. Floquet theory is used to transform the periodic time-dependent Hamiltonian, to a time-independent Floquet Hamiltonian. In this article contact transformation method has been used to get the analytical representation of Floquet Hamiltonian for quadrupolar nuclei with spin = 1 in the presence of an RF field and first order quadrupolar interaction in magic angle spinning NMR experiments. The eigenvalues of contact transformed Hamiltonian as well as Floquet Hamiltonian have been calculated and a comparison is made between the eigenvalues obtained using the two Hamiltonians.

  15. Sensitivity and Resolution Enhanced Solid-State NMR for Paramagnetic Systems and Biomolecules under Very Fast Magic Angle Spinning

    KAUST Repository

    Parthasarathy, Sudhakar

    2013-09-17

    Recent research in fast magic angle spinning (MAS) methods has drastically improved the resolution and sensitivity of NMR spectroscopy of biomolecules and materials in solids. In this Account, we summarize recent and ongoing developments in this area by presenting (13)C and (1)H solid-state NMR (SSNMR) studies on paramagnetic systems and biomolecules under fast MAS from our laboratories. First, we describe how very fast MAS (VFMAS) at the spinning speed of at least 20 kHz allows us to overcome major difficulties in (1)H and (13)C high-resolution SSNMR of paramagnetic systems. As a result, we can enhance both sensitivity and resolution by up to a few orders of magnitude. Using fast recycling (∼ms/scan) with short (1)H T1 values, we can perform (1)H SSNMR microanalysis of paramagnetic systems on the microgram scale with greatly improved sensitivity over that observed for diamagnetic systems. Second, we discuss how VFMAS at a spinning speed greater than ∼40 kHz can enhance the sensitivity and resolution of (13)C biomolecular SSNMR measurements. Low-power (1)H decoupling schemes under VFMAS offer excellent spectral resolution for (13)C SSNMR by nominal (1)H RF irradiation at ∼10 kHz. By combining the VFMAS approach with enhanced (1)H T1 relaxation by paramagnetic doping, we can achieve extremely fast recycling in modern biomolecular SSNMR experiments. Experiments with (13)C-labeled ubiquitin doped with 10 mM Cu-EDTA demonstrate how effectively this new approach, called paramagnetic assisted condensed data collection (PACC), enhances the sensitivity. Lastly, we examine (13)C SSNMR measurements for biomolecules under faster MAS at a higher field. Our preliminary (13)C SSNMR data of Aβ amyloid fibrils and GB1 microcrystals acquired at (1)H NMR frequencies of 750-800 MHz suggest that the combined use of the PACC approach and ultrahigh fields could allow for routine multidimensional SSNMR analyses of proteins at the 50-200 nmol level. Also, we briefly discuss the

  16. Powder-XRD and (14) N magic angle-spinning solid-state NMR spectroscopy of some metal nitrides.

    Science.gov (United States)

    Kempgens, Pierre; Britton, Jonathan

    2016-05-01

    Some metal nitrides (TiN, ZrN, InN, GaN, Ca3 N2 , Mg3 N2 , and Ge3 N4 ) have been studied by powder X-ray diffraction (XRD) and (14) N magic angle-spinning (MAS) solid-state NMR spectroscopy. For Ca3 N2 , Mg3 N2 , and Ge3 N4 , no (14) N NMR signal was observed. Low speed (νr  = 2 kHz for TiN, ZrN, and GaN; νr  = 1 kHz for InN) and 'high speed' (νr  = 15 kHz for TiN; νr  = 5 kHz for ZrN; νr  = 10 kHz for InN and GaN) MAS NMR experiments were performed. For TiN, ZrN, InN, and GaN, powder-XRD was used to identify the phases present in each sample. The number of peaks observed for each sample in their (14) N MAS solid-state NMR spectrum matches perfectly well with the number of nitrogen-containing phases identified by powder-XRD. The (14) N MAS solid-state NMR spectra are symmetric and dominated by the quadrupolar interaction. The envelopes of the spinning sidebands manifold are Lorentzian, and it is concluded that there is a distribution of the quadrupolar coupling constants Qcc 's arising from structural defects in the compounds studied. Copyright © 2015 John Wiley & Sons, Ltd. PMID:26687421

  17. Solid effect in magic angle spinning dynamic nuclear polarization

    Science.gov (United States)

    Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.

    2012-08-01

    For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic field DNP experiments because SE enhancements display an ω _0 ^{ - 2} field dependence. In particular, for nominally forbidden zero and double quantum SE transitions to be partially allowed, it is necessary for mixing of adjacent nuclear spin states to occur, and this leads to the observed field dependence. However, recently we have improved our instrumentation and report here an enhancement of ɛ = 91 obtained with the organic radical trityl (OX063) in magic angle spinning experiments performed at 5 T and 80 K. This is a factor of 6-7 higher than previous values in the literature under similar conditions. Because the solid effect depends strongly on the microwave field strength, we attribute this large enhancement to larger microwave field strengths inside the sample volume, achieved with more efficient coupling of the gyrotron to the sample chamber. In addition, we develop a theoretical model to explain the dependence of the buildup rate of enhanced nuclear polarization and the steady-state enhancement on the microwave power. Buildup times and enhancements were measured as a function of 1H concentration for both trityl and Gd-DOTA. Comparison of the results indicates that for trityl the initial polarization step is the slower, rate-determining step. However, for Gd-DOTA the spread of nuclear polarization via homonuclear 1H spin diffusion is rate-limiting. Finally, we discuss the applicability of the solid effect at fields > 5 T and the requirements to address the unfavorable field dependence of the solid effect.

  18. Two-Dimensional NMR Study of a Liquid-Crystal Solution under Magic-Angle Spinning. Conformation of Carboxylic Ionophore Lasalocid A Dissolved in a Lyotropic Liquid Crystal

    Science.gov (United States)

    Kimura, Atsuomi; Kano, Tetsushi; Fujiwara, Hideaki

    1996-07-01

    The conformation of a carboxylic ionophore, lasalocid A, has been determined in a lyotropic liquid crystal by means of magic-angle spinning (MAS) and two-dimensional NMR experiments. The information extracted from ROESY spectra measured under MAS was analyzed according to the distance-geometry algorithm. The liquid crystal used for the solvent is cesium perfluorooctanoate dissolved in D2O, and the resulting structure of lasalocid A is a cyclic one, indicating cation complexation within a hydrophobic region of the liquid crystal. In this way, the two-dimensional MAS NMR experiment is proved to be a useful technique in conformational studies of complex molecules dissolved in lyotropic liquid crystal which may be regarded as offering a membrane-like environment.

  19. An HR-MAS MR Metabolomics Study on Breast Tissues Obtained with Core Needle Biopsy

    OpenAIRE

    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...

  20. High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues.

    Science.gov (United States)

    Beckonert, Olaf; Coen, Muireann; Keun, Hector C; Wang, Yulan; Ebbels, Timothy M D; Holmes, Elaine; Lindon, John C; Nicholson, Jeremy K

    2010-06-01

    Metabolic profiling, metabolomic and metabonomic studies require robust study protocols for any large-scale comparisons and evaluations. Detailed methods for solution-state NMR spectroscopy have been summarized in an earlier protocol. This protocol details the analysis of intact tissue samples by means of high-resolution magic-angle-spinning (HR-MAS) NMR spectroscopy and we provide a detailed description of sample collection, preparation and analysis. Described here are (1)H NMR spectroscopic techniques such as the standard one-dimensional, relaxation-edited, diffusion-edited and two-dimensional J-resolved pulse experiments, as well as one-dimensional (31)P NMR spectroscopy. These are used to monitor different groups of metabolites, e.g., sugars, amino acids and osmolytes as well as larger molecules such as lipids, non-invasively. Through the use of NMR-based diffusion coefficient and relaxation times measurements, information on molecular compartmentation and mobility can be gleaned. The NMR methods are often combined with statistical analysis for further metabonomics analysis and biomarker identification. The standard acquisition time per sample is 8-10 min for a simple one-dimensional (1)H NMR spectrum, giving access to metabolite information while retaining tissue integrity and hence allowing direct comparison with histopathology and MRI/MRS findings or the evaluation together with biofluid metabolic-profiling data. PMID:20539278

  1. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning.

    Science.gov (United States)

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264GHz with 1.5W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized (13)C NMR signals in the 100-200 range are demonstrated with DNP at 25K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30K can be achieved with helium consumption rates below 1.3l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states. PMID:26920835

  2. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning

    Science.gov (United States)

    Thurber, Kent; Tycko, Robert

    2016-03-01

    We describe novel instrumentation for low-temperature solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS), focusing on aspects of this instrumentation that have not been described in detail in previous publications. We characterize the performance of an extended interaction oscillator (EIO) microwave source, operating near 264 GHz with 1.5 W output power, which we use in conjunction with a quasi-optical microwave polarizing system and a MAS NMR probe that employs liquid helium for sample cooling and nitrogen gas for sample spinning. Enhancement factors for cross-polarized 13C NMR signals in the 100-200 range are demonstrated with DNP at 25 K. The dependences of signal amplitudes on sample temperature, as well as microwave power, polarization, and frequency, are presented. We show that sample temperatures below 30 K can be achieved with helium consumption rates below 1.3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states.

  3. Indirectly detected chemical shift correlation NMR spectroscopy in solids under fast magic angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Kanmi [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The development of fast magic angle spinning (MAS) opened up an opportunity for the indirect detection of insensitive low-γ nuclei (e.g., 13C and 15N) via the sensitive high-{gamma} nuclei (e.g., 1H and 19F) in solid-state NMR, with advanced sensitivity and resolution. In this thesis, new methodology utilizing fast MAS is presented, including through-bond indirectly detected heteronuclear correlation (HETCOR) spectroscopy, which is assisted by multiple RF pulse sequences for 1H-1H homonuclear decoupling. Also presented is a simple new strategy for optimization of 1H-1H homonuclear decoupling. As applications, various classes of materials, such as catalytic nanoscale materials, biomolecules, and organic complexes, are studied by combining indirect detection and other one-dimensional (1D) and two-dimensional (2D) NMR techniques. Indirectly detected through-bond HETCOR spectroscopy utilizing refocused INEPT (INEPTR) mixing was developed under fast MAS (Chapter 2). The time performance of this approach in 1H detected 2D 1H{l_brace}13C{r_brace} spectra was significantly improved, by a factor of almost 10, compared to the traditional 13C detected experiments, as demonstrated by measuring naturally abundant organic-inorganic mesoporous hybrid materials. The through-bond scheme was demonstrated as a new analytical tool, which provides complementary structural information in solid-state systems in addition to through-space correlation. To further benefit the sensitivity of the INEPT transfer in rigid solids, the combined rotation and multiple-pulse spectroscopy (CRAMPS) was implemented for homonuclear 1H decoupling under fast MAS (Chapter 3). Several decoupling schemes (PMLG5m$\\bar{x}$, PMLG5mm$\\bar{x}$x and SAM3) were analyzed to maximize the performance of through-bond transfer based

  4. Characterization of lithium coordination sites with magic-angle spinning NMR

    Science.gov (United States)

    Haimovich, A.; Goldbourt, A.

    2015-05-01

    Lithium, in the form of lithium carbonate, is one of the most common drugs for bipolar disorder. Lithium is also considered to have an effect on many other cellular processes hence it possesses additional therapeutic as well as side effects. In order to quantitatively characterize the binding mode of lithium, it is required to identify the interacting species and measure their distances from the metal center. Here we use magic-angle spinning (MAS) solid-state NMR to study the binding site of lithium in complex with glycine and water (LiGlyW). Such a compound is a good enzyme mimetic since lithium is four-coordinated to one water molecule and three carboxylic groups. Distance measurements to carbons are performed using a 2D transferred echo double resonance (TEDOR) MAS solid-state NMR experiment, and water binding is probed by heteronuclear high-resolution proton-lithium and proton-carbon correlation (wPMLG-HETCOR) experiments. Both HETCOR experiments separate the main complex from impurities and non-specifically bound lithium species, demonstrating the sensitivity of the method to probe the species in the binding site. Optimizations of the TEDOR pulse scheme in the case of a quadrupolar nucleus with a small quadrupole coupling constant show that it is most efficient when pulses are positioned on the spin-1/2 (carbon-13) nucleus. Since the intensity of the TEDOR signal is not normalized, careful data analysis that considers both intensity and dipolar oscillations has to be performed. Nevertheless we show that accurate distances can be extracted for both carbons of the bound glycine and that these distances are consistent with the X-ray data and with lithium in a tetrahedral environment. The lithium environment in the complex is very similar to the binding site in inositol monophosphatase, an enzyme associated with bipolar disorder and the putative target for lithium therapy. A 2D TEDOR experiment applied to the bacterial SuhB gene product of this enzyme was designed

  5. Angles and Daemons: Spin Correlations at the LHC

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Nhan V. [Johns Hopkins Univ., Baltimore, MD (United States)

    2011-09-01

    The Large Hadron Collider has recently started collecting data, opening a new energy regime. This will allow us to probe further than ever before many of the current mysteries of the field. New physics beyond the Standard Model, the field's current paradigm, could manifest itself via new particles. In addition, the Higgs boson, hypothesized as a consequence of electroweak symmetry breaking, remains undiscovered. At the time of discovery, the properties of such particles will be unknown. In order to understand the nature of any new physics, it will be important to understand the properties of that new particle. Methods are presented for measuring its spin, parity and coupling to the Standard Model particles. These methods are implemented at the Compact Muon Solenoid experiment and an analysis is presented with the data collected during 2010 and 2011 running at the Large Hadron Collider. An application of these techniques is used to make a measurement of the weak mixing angle. A current status of the search for the Higgs boson is also presented.

  6. Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe

    Science.gov (United States)

    Nanni, Emilio A.; Barnes, Alexander B.; Matsuki, Yoh; Woskov, Paul P.; Corzilius, Björn; Griffin, Robert G.; Temkin, Richard J.

    2011-05-01

    We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B 1 S) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4 mm diameter sapphire rotor containing the sample. The predicted average B 1 S field is 13 μT/W 1/2, where S denotes the electron spin. For a routinely achievable input power of 5 W the corresponding value is γSB 1 S = 0.84 MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement ( ɛ) vs. ω1 S/(2 π) for a sample of 13C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment.

  7. Intratumoral Agreement of High-Resolution Magic Angle Spinning Magnetic Resonance Spectroscopic Profiles in the Metabolic Characterization of Breast Cancer

    Science.gov (United States)

    Park, Vivian Youngjean; Yoon, Dahye; Koo, Ja Seung; Kim, Eun-Kyung; Kim, Seung Il; Choi, Ji Soo; Park, Seho; Park, Hyung Seok; Kim, Suhkmann; Kim, Min Jung

    2016-01-01

    Abstract High-resolution magic angle spinning (HR-MAS) magnetic resonance (MR) spectroscopy data may serve as a biomarker for breast cancer, with only a small volume of tissue sample required for assessment. However, previous studies utilized only a single tissue sample from each patient. The aim of this study was to investigate whether intratumoral location and biospecimen type affected the metabolic characterization of breast cancer assessed by HR-MAS MR spectroscopy This prospective study was approved by the institutional review board and informed consent was obtained. Preoperative core-needle biopsies (CNBs), central, and peripheral surgical tumor specimens were prospectively collected under ultrasound (US) guidance in 31 patients with invasive breast cancer. Specimens were assessed with HR-MAS MR spectroscopy. The reliability of metabolite concentrations was evaluated and multivariate analysis was performed according to intratumoral location and biospecimen type. There was a moderate or higher agreement between the relative concentrations of 94.3% (33 of 35) of metabolites in the center and periphery, 80.0% (28 of 35) of metabolites in the CNB and central surgical specimens, and 82.9% (29 of 35) of metabolites between all 3 specimen types. However, there was no significant agreement between the concentrations of phosphocholine (PC) and phosphoethanolamine (PE) in the center and periphery. The concentrations of several metabolites (adipate, arginine, fumarate, glutamate, PC, and PE) had no significant agreement between the CNB and central surgical specimens. In conclusion, most HR-MAS MR spectroscopic data do not differ based on intratumoral location or biospecimen type. However, some metabolites may be affected by specimen-related variables, and caution is recommended in decision-making based solely on metabolite concentrations, particularly PC and PE. Further validation through future studies is needed for the clinical implementation of these biomarkers based

  8. Spin-orbit-induced photoelectron spin polarization in angle-resolved photoemission from both atomic and condensed matter targets

    International Nuclear Information System (INIS)

    The existence of highly spin polarized photoelectrons emitted from non-magnetic solids as well as from unpolarized atoms and molecules has been found to be very common in many studies over the past 40 years. This so-called Fano effect is based upon the influence of the spin-orbit interaction in the photoionization or the photoemission process. In a non-angle-resolved photoemission experiment, circularly polarized radiation has to be used to create spin polarized photoelectrons, while in angle-resolved photoemission even unpolarized or linearly polarized radiation is sufficient to get a high spin polarization. In past years the Rashba effect has become very important in the angle-resolved photoemission of solid surfaces, also with an observed high photoelectron spin polarization. It is the purpose of the present topical review to cross-compare the spin polarization experimentally found in angle-resolved photoelectron emission spectroscopy of condensed matter with that of free atoms, to compare it with the Rashba effect and topological insulators to describe the influence and the importance of the spin-orbit interaction and to show and disentangle the matrix element and phase shift effects therein. The relationship between the energy dispersion of these phase shifts and the emission delay of photoelectron emission in attosecond-resolved photoemission is also discussed. Furthermore the influence of chiral structures of the photo-effect target on the spin polarization, the interferences of different spin components in coherent superpositions in photoemission and a cross-comparison of spin polarization in photoemission from non-magnetic solids with XMCD on magnetic materials are presented; these are all based upon the influence of the spin-orbit interaction in angle-resolved photoemission. (topical review)

  9. Ultra-low temperature MAS-DNP

    Science.gov (United States)

    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.

  10. Influence of the external torques in the angle between the spin axis and the Sun direction for spin stabilized satellite

    Science.gov (United States)

    Motta, G. B.; Zanardi, M. C.

    2015-10-01

    The goal of this paper is the study of the influence of the environmental torques in the angle between the spin axis and the Sun direction (solar aspect angle) for spin stabilized satellite. The theory uses a cylindrical satellite in an illumined orbit, considering the gravity gradient, aerodynamic, solar radiation, residual magnetic and eddy current torques. The mathematic model for each torque is shown. The dynamic equations are represented in a reference system fixed in the satellite and described by spin velocity and the right ascension and declination angles of the spin axis. An analytical solution for the spin velocity and the attitude angles is used to study the behavior of the solar aspect angle. The theory is applied for the real data of the Brazilian Satellite of Data Collection - SCD1 and SCD2. Two approaches are presented. The results agree with the real satellite behavior for specific time simulation. Then the theory has consistency and can be applied to predict the behavior of the solar aspect angle.

  11. Slow Manifold and Hannay Angle in the Spinning Top

    Science.gov (United States)

    Berry, M. V.; Shukla, P.

    2011-01-01

    The spin of a top can be regarded as a fast variable, coupled to the motion of the axis which is slow. In pure precession, the rotation of the axis round a cone (without nutation), can be considered as the result of a reaction from the fast spin. The resulting restriction of the total state space of the top is an illustrative example, at…

  12. Study of the ferroelastic phase transition in the tetraethylammonium compound [N(C2H54]2ZnBr4 by magic-angle spinning and static NMR

    Directory of Open Access Journals (Sweden)

    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. Magic-angle-spinning NMR spectroscopy. January 1978-May 1988 (Citations from the INSPEC: Information Services for the Physics and Engineering Communities data base). Report for January 1978-May 1988

    International Nuclear Information System (INIS)

    This bibliography contains citations concerning the principles and applications of magic-angle spinning (MAS) nuclear magnetic resonance (NMR) in high-resolution spectra analysis of solids. Magic-angle spinning NMR is a very powerful spectrographic technique for the study of structures, dynamics, and reactivity of solids, and polcrystalline and amorphous solids. Studies of various materials are presented, including zeolites, organic compounds and polymers, liquid crystals, silicate and borate glasses, and alumina and oxide films. Applications in conductive polymers, biological systems, and organic matrixes of composite materials are presented. (Contains 89 citations fully indexed and including a title list.)

  14. 1H High Resolution Magic-Angle Coil Spinning (HR-MACS) - NMR Metabolic Profiling of whole Saccharomyces cervisiae cells: A Demonstrative Study

    Science.gov (United States)

    Wong, Alan; Boutin, Celine; Aguiar, Pedro

    2014-06-01

    The low sensitivity of Nuclear Magnetic Resonance (NMR) is its prime shortcoming compared to other analytical methods for metabolomic studies. It relies on large sample volume (30-50 µl for HR-MAS) for rich metabolic profiling, hindering high-throughput screening especially when the sample requires a labor-intensive preparation or is a sacred specimen. This is indeed the case for some living organisms. This study evaluates a 1H HR-MAS approach for metabolic profiling of small volume (250 nl) whole bacterial cells, Saccharomyces cervisiae, using an emerging micro-NMR technology: high-resolution magic-angle coil spinning (HR-MACS). As a demonstrative study for whole cells, we perform two independent metabolomics studies identifying the significant metabolites associated with osmotic stress and aging.

  15. 1H High Resolution Magic-Angle Coil Spinning (HR-MACS µNMR Metabolic Profiling of whole Saccharomyces cervisiae cells: A Demonstrative Study

    Directory of Open Access Journals (Sweden)

    Alan eWong

    2014-06-01

    Full Text Available The low sensitivity of Nuclear Magnetic Resonance (NMR is its prime shortcoming compared to other analytical methods for metabolomic studies. It relies on large sample volume (30–50 µl for HR-MAS for rich metabolic profiling, hindering high-throughput screening especially when the sample requires a labor-intensive preparation or is a sacred specimen. This is indeed the case for some living organisms. This study evaluates a 1H HR-MAS approach for metabolic profiling of small volume (250 nl whole bacterial cells, Saccharomyces cervisiae, using an emerging micro-NMR technology: high-resolution magic-angle coil spinning (HR-MACS. As a demonstrative study for whole cells, we perform two independent metabolomics studies identifying the significant metabolites associated with osmotic stress and aging.

  16. Dephasing in photoinduced large-angle spin precession of confined ferromagnetic structures

    Science.gov (United States)

    Lee, Kyeong-Dong; Ryu, Kwang-Su; Kim, Ji-Wan; Song, Hyon-Seok; Jeong, Jae-Woo; Shin, Sung-Chul

    2010-10-01

    Spin precessions in the stripes of α-MnAs films prepared on GaAs(001) are investigated using an all-optical pump-probe method. We find that a large-angle spin precession appears while the stripe width decreases. In addition, the large-angle precession considerably changes the resonance frequency, resulting in a significant decrease in the relaxation time. These changes in the precessional motion are mainly ascribed to the dephasing of the nonuniform spin waves existing at the large-angle precession, as experimentally confirmed by varying the precession angle via tuning pump fluence. Micromagnetic simulations using a single Gilbert damping constant well predict the experimental observations, which verifies the interpretation of the change in the precessional motion.

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

    Science.gov (United States)

    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. Structural biology applications of solid state MAS DNP NMR

    Science.gov (United States)

    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.

  19. Correlation between the spin Hall angle and the structural phases of early 5d transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun; Ohkubo, Tadakatsu; Mitani, Seiji; Hono, Kazuhiro; Hayashi, Masamitsu, E-mail: hayashi.masamitsu@nimsgo.jp [National Institute for Materials Science, Tsukuba 305-0047 (Japan)

    2015-12-07

    We have studied the relationship between the structure and the spin Hall angle of the early 5d transition metals in X/CoFeB/MgO (X = Hf, Ta, W, and Re) heterostructures. Spin Hall magnetoresistance (SMR) is used to characterize the spin Hall angle of the heavy metals. Transmission electron microscopy images show that all underlayers are amorphous-like when their thicknesses are small, however, crystalline phases emerge as the thickness is increased for certain elements. We find that the heavy metal layer thickness dependence of the SMR reflects these changes in structure. The largest spin Hall angle |θ{sub SH}| of Hf, Ta, W, and Re (∼0.11, 0.10, 0.23, and 0.07, respectively) is found when the dominant phase is amorphous-like. We find that the amorphous-like phase not only possesses large resistivity but also exhibits sizeable spin Hall conductivity, which both contribute to the emergence of the large spin Hall angle.

  20. Correlation between the spin Hall angle and the structural phases of early 5d transition metals

    International Nuclear Information System (INIS)

    We have studied the relationship between the structure and the spin Hall angle of the early 5d transition metals in X/CoFeB/MgO (X = Hf, Ta, W, and Re) heterostructures. Spin Hall magnetoresistance (SMR) is used to characterize the spin Hall angle of the heavy metals. Transmission electron microscopy images show that all underlayers are amorphous-like when their thicknesses are small, however, crystalline phases emerge as the thickness is increased for certain elements. We find that the heavy metal layer thickness dependence of the SMR reflects these changes in structure. The largest spin Hall angle |θSH| of Hf, Ta, W, and Re (∼0.11, 0.10, 0.23, and 0.07, respectively) is found when the dominant phase is amorphous-like. We find that the amorphous-like phase not only possesses large resistivity but also exhibits sizeable spin Hall conductivity, which both contribute to the emergence of the large spin Hall angle

  1. Strong spin-orbit coupling and Zeeman spin splitting in angle dependent magnetoresistance of Bi2Te3

    International Nuclear Information System (INIS)

    We have studied angle dependent magnetoresistance of Bi2Te3 thin film with field up to 9 T over 2–20 K temperatures. The perpendicular field magnetoresistance has been explained by the Hikami-Larkin-Nagaoka theory alone in a system with strong spin-orbit coupling, from which we have estimated the mean free path, the phase coherence length, and the spin-orbit relaxation time. We have obtained the out-of-plane spin-orbit relaxation time to be small and the in-plane spin-orbit relaxation time to be comparable to the momentum relaxation time. The estimation of these charge and spin transport parameters are useful for spintronics applications. For parallel field magnetoresistance, we have confirmed the presence of Zeeman effect which is otherwise suppressed in perpendicular field magnetoresistance due to strong spin-orbit coupling. The parallel field data have been explained using both the contributions from the Maekawa-Fukuyama localization theory for non-interacting electrons and Lee-Ramakrishnan theory of electron-electron interactions. The estimated Zeeman g-factor and the strength of Coulomb screening parameter agree well with the theory. Finally, the anisotropy in magnetoresistance with respect to angle has been described by the Hikami-Larkin-Nagaoka theory. This anisotropy can be used in anisotropic magnetic sensor applications.

  2. Metabolic mapping by use of high-resolution magic angle spinning 1H MR spectroscopy for assessment of apoptosis in cervical carcinomas

    Directory of Open Access Journals (Sweden)

    Sundfør Kolbein

    2007-01-01

    Full Text Available Abstract Background High-resolution magic angle proton magnetic resonance spectroscopy (HR 1H MAS MRS provides a broad metabolic mapping of intact tumor samples and allows for microscopy investigations of the samples after spectra acquisition. Experimental studies have suggested that the method can be used for detection of apoptosis, but this has not been investigated in a clinical setting so far. We have explored this hypothesis in cervical cancers by searching for metabolites associated with apoptosis that were not influenced by other histopathological parameters like tumor load and tumor cell density. Methods Biopsies (n = 44 taken before and during radiotherapy in 23 patients were subjected to HR MAS MRS. A standard pulse-acquire spectrum provided information about lipids, and a spin-echo spectrum enabled detection of non-lipid metabolites in the lipid region of the spectra. Apoptotic cell density, tumor cell fraction, and tumor cell density were determined by histopathological analysis after spectra acquisition. Results The apoptotic cell density correlated with the standard pulse-acquire spectra (p 2 to CH3 (p = 0.02. In contrast, the spin-echo spectra contained the main information on tumor cell fraction and tumor cell density (p p = 0.001 and between tumor cell density and glycerophosphocholine (GPC concentration (p = 0.024 and ratio of GPC to choline (p Conclusion Our findings indicate that the apoptotic activity of cervical cancers can be assessed from the lipid metabolites in HR MAS MR spectra and that the HR MAS data may reveal novel information on the metabolic changes characteristic of apoptosis. These changes differed from those associated with tumor load and tumor cell density, suggesting an application of the method to explore the role of apoptosis in the course of the disease.

  3. The electronic structure of spintronic materials as seen by spin-polarized angle-resolved photoemission

    International Nuclear Information System (INIS)

    Highlights: •Introduction of spin-dependent effects in modern angle-resolved photoemission from the point of view of potential applications in spintronics. •Review on modern spin-polarimeters, including the historical development of the field. •Several examples to illustrate the application of spin-polarized photoemission to ferromagnetic and non-ferromagnetic sample systems. -- Abstract: The key quantity in spintronic devices is the spin polarization of the current flowing through the various device components, which in turn is closely determined by the components’ electronic structure. Modern spin- and angle-resolved photoemission spectroscopy (spin-ARPES) can map the details of the spin-polarized electronic structure in many novel material systems – both magnetic and nonmagnetic. In order to separate close-lying electronic states, however, an improvement in energy and angular resolution as well as information depth is still mandatory. We review several types of modern photoemission spectrometers capable of spin analysis and discuss the application of the technique for several physical systems including ferromagnetic thin films and topological insulators

  4. Application of High-Resolution Magic-Angle Spinning NMR Spectroscopy to Define the Cell Uptake of MRI Contrast Agents

    Science.gov (United States)

    Calabi, Luisella; Alfieri, Goffredo; Biondi, Luca; De Miranda, Mario; Paleari, Lino; Ghelli, Stefano

    2002-06-01

    A new method, based on proton high-resolution magic-angle spinning ( 1H HR-MAS) NMR spectroscopy, has been employed to study the cell uptake of magnetic resonance imaging contrast agents (MRI-CAs). The method was tested on human red blood cells (HRBC) and white blood cells (HWBC) by using three gadolinium complexes, widely used in diagnostics, Gd-BOPTA, Gd-DTPA, and Gd-DOTA, and the analogous complexes obtained by replacing Gd(III) with Dy(III), Nd(III), and Tb(III) (i.e., complexes isostructural to the ones of gadolinium but acting as shift agents). The method is based on the evaluation of the magnetic effects, line broadening, or induced lanthanide shift (LIS) caused by these complexes on NMR signals of intra- and extracellular water. Since magnetic effects are directly linked to permeability, this method is direct. In all the tests, these magnetic effects were detected for the extracellular water signal only, providing a direct proof that these complexes are not able to cross the cell membrane. Line broadening effects (i.e., the use of gadolinium complexes) only allow qualitative evaluations. On the contrary, LIS effects can be measured with high precision and they can be related to the concentration of the paramagnetic species in the cellular compartments. This is possible because the HR-MAS technique provides the complete elimination of bulk magnetic susceptibility (BMS) shift and the differentiation of extra- and intracellular water signals. Thus with this method, the rapid quantification of the MRI-CA amount inside and outside the cells is actually feasible.

  5. Magic-angle spinning solid-state NMR spectroscopy of nanodisc-embedded human CYP3A4.

    Science.gov (United States)

    Kijac, Aleksandra Z; Li, Ying; Sligar, Stephen G; Rienstra, Chad M

    2007-12-01

    Cytochrome P450 (CYP) 3A4 contributes to the metabolism of approximately 50% of commercial drugs by oxidizing a large number of structurally diverse substrates. Like other endoplasmic reticulum-localized P450s, CYP3A4 contains a membrane-anchoring N-terminal helix and a significant number of hydrophobic domains, important for the interaction between CYP3A4 and the membrane. Although the membrane affects specificity of CYP3A4 ligand binding, the structural details of the interaction have not been revealed so far because X-ray crystallography studies are available only for the soluble domain of CYP3A4. Here we report sample preparation and initial magic-angle spinning (MAS) solid-state NMR (SSNMR) of CYP3A4 (Delta3-12) embedded in a nanoscale membrane bilayer, or Nanodisc. The growth protocol yields approximately 2.5 mg of the enzymatically active, uniformly 13C,15N-enriched CYP3A4 from 1 L of growth medium. Polyethylene glycol 3350-precipitated CYP3A4 in Nanodiscs yields spectra of high resolution and sensitivity, consistent with a folded, homogeneous protein. CYP3A4 in Nanodiscs remains enzymatically active throughout the precipitation protocol as monitored by bromocriptine binding. The 13C line widths measured from 13C-13C 2D chemical shift correlation spectra are approximately 0.5 ppm. The secondary structure distribution within several amino acid types determined from 13C chemical shifts is consistent with the ligand-free X-ray structures. These results demonstrate that MAS SSNMR can be performed on Nanodisc-embedded membrane proteins in a folded, active state. The combination of SSNMR and Nanodisc methodologies opens up new possibilities for obtaining structural information on CYP3A4 and other integral membrane proteins with full retention of functionality. PMID:17985934

  6. High-field magic-angle spinning 13C NMR spectroscopy of Co4(CO)12

    International Nuclear Information System (INIS)

    The high-field (68-MHz) 13C MAS NMR spectra of solid Co4(CO)12 is reported at three different spinning rates. The different spinning rates were required to allow the separation of sidebands from centerbands in the spectrum. This NMR study resulted in the observation of signal(s) due to bridging carbonyls as required by either a dynamic or static Co4(CO)12 structure. The failure to previously observe bridging carbonyl resonances at low field is thought to be most likely due to residual coupling to the quadrupolar cobalt nucleus and/or rapid and selective scalar relaxation of the carbonyl ligand by the cobalt cation. 22 refs., 3 figs

  7. 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

    Institute of Scientific and Technical Information of China (English)

    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.

  8. Post-mortem changes in porcine M. longissimus studied by solid-state 13C cross-polarization magic-angle spinning nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Bertram, Hanne Christine; Jakobsen, Hans Jørgen; Andersen, Henrik Jørgen; Karlsson, Anders Hans; Engelsen, Søren Balling

    2003-03-26

    Solid-state (13)C cross-polarization (CP) magic-angle spinning (MAS) nuclear magnetic resonance (NMR) experiments are carried out for the first time on rapidly frozen muscle biopsies taken in M. longissimus in vivo and at 1 min, 45 min, and 24 h post-mortem from three pigs. Two of the pigs were CO(2)-stunned (control animals), and one was pre-slaughter-stressed (treadmill exercise) followed by electrical stunning to induce difference in metabolism post-mortem. (13)C resonance signals from saturated and unsaturated carbons in fatty acids, carboxylic carbons, and carbons in lactate and glycogen are identified in the solid-state NMR spectra. The (13)C CP MAS spectra obtained for post-mortem samples of the stressed, electrically stunned pig differ significantly from the post-mortem control samples, as the intensity of a resonance line appearing at 30 ppm, assigned to carbons of the methylene chains, is reduced for the stressed pig. This spectral difference is probably due to changes in lipid mobility and indicates altered membrane properties in the muscle of the stressed/electrically stunned animal when compared with the control animals already 1 min post-mortem. In addition, the post-mortem period changes in glycogen carbons can be estimated from the (13)C CP MAS spectra, yielding a correlation of r = 0.74 to subsequent biochemical determination of the glycogen content. PMID:12643674

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

    Energy Technology Data Exchange (ETDEWEB)

    Baltisberger, J.H.

    1993-06-01

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

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

    International Nuclear Information System (INIS)

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

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

    DEFF Research Database (Denmark)

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

    2001-01-01

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

  12. Spin-Orbit angle distribution and the origin of (mis)aligned hot Jupiters

    CERN Document Server

    Crida, Aurélien

    2014-01-01

    For 61 transiting hot Jupiters, the projection of the angle between the orbital plane and the stellar equator (called the spin-orbit angle) has been measured. For about half of them, a significant misalignment is detected, and retrograde planets have been observed. This challenges scenarios of the formation of hot Jupiters. In order to better constrain formation models, we relate the distribution of the real spin-orbit angle $\\Psi$ to the projected one $\\beta$. Then, a comparison with the observations is relevant. We analyse the geometry of the problem to link analytically the projected angle $\\beta$ to the real spin-orbit angle $\\Psi$. The distribution of $\\Psi$ expected in various models is taken from the literature, or derived with a simplified model and Monte-Carlo simulations in the case of the disk-torquing mechanism. An easy formula to compute the probability density function (PDF) of $\\beta$ knowing the PDF of $\\Psi$ is provided. All models tested here look compatible with the observed distribution be...

  13. Analysis of local conformation of membrane-bound and polycrystalline peptides by two-dimensional slow-spinning rotor-synchronized MAS exchange spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gabrys, Charles M.; Yang Jun; Weliky, David P. [Michigan State University, Department of Chemistry (United States)], E-mail: weliky@cem.msu.edu

    2003-05-15

    2D slow-spinning, rotor-synchronized MAS exchange spectroscopy (SSRS-MASE) was applied to study local secondary structure of three structurally different peptides, two of which were membrane-bound. Each peptide was {sup 13}C carbonyl labeled at two adjacent residues in the peptide backbone. In general, this methodology is attractive for membrane-bound peptides because of its lenient spinning, decoupling, and RF homogeneity requirements.For a single set of raw SSRS-MASE data, two linearly independent methods exist for obtaining a 2D spectrum and each spectrum can be fit to obtain conformational constraints. An approach is described for combining the results of these two fits and this method is shown to work for spectra with both resolved and unresolved labeled site resonances. A spectrum is often fit well to a few different conformations which have somewhat different values of the fitting parameter {chi}{sup 2}. A simple statistical theory is developed which relates the {delta}{chi}{sup 2} difference between a local minimum and the global minimum {chi}{sup 2} to the likelihood that the local minimum conformation is the correct structure. Because uncertainty in the simulated data can also contribute to the overall fitting uncertainty, an empirical method is described for incorporating the simulation uncertainty into the {delta}{chi}{sup 2} analysis.These data analysis methods were tested on polycrystalline Ala-Gly-Gly and then applied to the membrane-bound melittin and HIV-1 fusion peptides. Melittin gave a best-fit {alpha} helical structure at Ala-4 while the fusion peptide gave a good-fit {beta} strand structure at Phe-8. The melittin analysis is in agreement with the known overall structure of this peptide.

  14. Analysis of local conformation of membrane-bound and polycrystalline peptides by two-dimensional slow-spinning rotor-synchronized MAS exchange spectroscopy

    International Nuclear Information System (INIS)

    2D slow-spinning, rotor-synchronized MAS exchange spectroscopy (SSRS-MASE) was applied to study local secondary structure of three structurally different peptides, two of which were membrane-bound. Each peptide was 13C carbonyl labeled at two adjacent residues in the peptide backbone. In general, this methodology is attractive for membrane-bound peptides because of its lenient spinning, decoupling, and RF homogeneity requirements.For a single set of raw SSRS-MASE data, two linearly independent methods exist for obtaining a 2D spectrum and each spectrum can be fit to obtain conformational constraints. An approach is described for combining the results of these two fits and this method is shown to work for spectra with both resolved and unresolved labeled site resonances. A spectrum is often fit well to a few different conformations which have somewhat different values of the fitting parameter χ2. A simple statistical theory is developed which relates the Δχ2 difference between a local minimum and the global minimum χ2 to the likelihood that the local minimum conformation is the correct structure. Because uncertainty in the simulated data can also contribute to the overall fitting uncertainty, an empirical method is described for incorporating the simulation uncertainty into the Δχ2 analysis.These data analysis methods were tested on polycrystalline Ala-Gly-Gly and then applied to the membrane-bound melittin and HIV-1 fusion peptides. Melittin gave a best-fit α helical structure at Ala-4 while the fusion peptide gave a good-fit β strand structure at Phe-8. The melittin analysis is in agreement with the known overall structure of this peptide

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. Metabolic mapping by use of high-resolution magic angle spinning 1H MR spectroscopy for assessment of apoptosis in cervical carcinomas

    International Nuclear Information System (INIS)

    High-resolution magic angle proton magnetic resonance spectroscopy (HR 1H MAS MRS) provides a broad metabolic mapping of intact tumor samples and allows for microscopy investigations of the samples after spectra acquisition. Experimental studies have suggested that the method can be used for detection of apoptosis, but this has not been investigated in a clinical setting so far. We have explored this hypothesis in cervical cancers by searching for metabolites associated with apoptosis that were not influenced by other histopathological parameters like tumor load and tumor cell density. Biopsies (n = 44) taken before and during radiotherapy in 23 patients were subjected to HR MAS MRS. A standard pulse-acquire spectrum provided information about lipids, and a spin-echo spectrum enabled detection of non-lipid metabolites in the lipid region of the spectra. Apoptotic cell density, tumor cell fraction, and tumor cell density were determined by histopathological analysis after spectra acquisition. The apoptotic cell density correlated with the standard pulse-acquire spectra (p < 0.001), but not with the spin-echo spectra, showing that the lipid metabolites were most important. The combined information of all lipids contributed to the correlation, with a major contribution from the ratio of fatty acid -CH2 to CH3 (p = 0.02). In contrast, the spin-echo spectra contained the main information on tumor cell fraction and tumor cell density (p < 0.001), for which cholines, creatine, taurine, glucose, and lactate were most important. Significant correlations were found between tumor cell fraction and glucose concentration (p = 0.001) and between tumor cell density and glycerophosphocholine (GPC) concentration (p = 0.024) and ratio of GPC to choline (p < 0.001). Our findings indicate that the apoptotic activity of cervical cancers can be assessed from the lipid metabolites in HR MAS MR spectra and that the HR MAS data may reveal novel information on the metabolic changes

  17. Angle dependence of signal intensity of a bovine tendon at spin echo sequence

    International Nuclear Information System (INIS)

    It has been reported that the signal intensity of dense collagen fibers markedly increases in some tissues on MRI, when collagen fibers are oriented at about 55deg against the static magnetic field. This angle is sometimes called the magic angle. The magic angle phenomenon is caused by magnetic dipolar-dipolar interaction between water protons. As this phenomenon has been reported to be related to the T2 relaxation rate only, the signal intensity may be influenced by the T2 relaxation rate at the spin echo (SE) sequence if other parameters are fixed. Information regarding the increasing ratio of signal intensity depending on the angle may be clinically important. A bovine tendon was rotated horizontally in a static magnetic field and images were obtained with SE or fast spin echo (FSE) sequences as follows: (a) SE (TR/TE=2000/15, 30, 45, 60), (b) SE (TR/TE=300, 500, 700/14), (c) FSE (TR/TE=3000/15, 105 eff., echo train length=14). By comparing the theoretical curves and data, it was confirmed that the signal intensity was related to the second power of the local magnetic field strength. The increasing ratio of signal intensity of the bovine tendon at 55deg (magic angle) compared with 0deg was about 3 times (TE=30). The most influential TE was about 20-40 msec. The increasing ratio of signal intensity did not depend on TR change or the FSE technique. (author)

  18. Effects of Phase Cycling on Quantum Coherence Pathways in Satellite Transition Magic Angle Spinning Experiments

    OpenAIRE

    Malavé, Peter

    2014-01-01

    Multiple quantum experiments are used to resolve broad peaks in nuclear magnetic resonance spectra of quadrupolar nuclei. In this work, we study phase cycling of radio frequency pulses in a single quantum satellite transition magic angle spinning experiment. The particular pulse sequence is a shifted echo sequence where phases of the pulses are varied in accordance with coherence selection rules. Experiments were performed on a $^{17}$O enriched sample of SiO$_2$. Results show that certain ph...

  19. Effects of Refocusing Flip Angle Modulation and View Ordering in 3D Fast Spin Echo

    OpenAIRE

    Busse, Reed F.; Brau, Anja C.S.; Vu, Anthony; Michelich, Charles R.; Bayram, Ersin; Kijowski, Richard; Reeder, Scott B; Howard A Rowley

    2008-01-01

    Recent advances have reduced scan time in three-dimensional fast spin echo (3D-FSE) imaging, including very long echo trains through refocusing flip angle (FA) modulation and 2D-accelerated parallel imaging. This work describes a method to modulate refocusing FAs that produces sharp point spread functions (PSFs) from very long echo trains while exercising direct control over minimum, center-k-space, and maximum FAs in order to accommodate the presence of flow and motion, SNR requirements, and...

  20. Multichannel spin polarimeter for energy- and angle-dispersive photoemission measurements

    International Nuclear Information System (INIS)

    Spin polarization measurements of free electrons remain challenging since their first realization by Mott. The relevant quantity of a spin polarimeter is its figure of merit, FoM=S2I/I0, with the asymmetry function S and the ratio between scattered and primary intensity I/I0. State-of-the-art devices are based on single-channel scattering (spin-orbit or exchange interaction) which is characterized by FoM ≅10-4. On the other hand, modern hemispherical analyzers feature an efficient multichannel detection of spin-integral intensity with more than 104 data points simultaneously. In comparison between spin-resolved and spin-integral electron spectroscopy we are thus faced with a difference in counting efficiency by 8 orders of magnitude. The present work concentrates on the development and investigation of a novel technique for increasing the efficiency in spin-resolved electron spectroscopy by multichannel detection. The spin detector was integrated in a μ-metal shielded UHV-chamber and mounted behind a conventional hemispherical analyzer. The electrostatic lens system's geometry was determined by electron-optical simulations. The basic concept is the k parallel -conserving elastic scattering of the (0,0)-beam on a W(100) scattering crystal under 45 impact angle. It could be demonstrated that app. 960 data points (15 energy and 64 angular points) could be displayed simultaneously on a delayline detector in an energy interval of ≅3 eV. This leads to a two-dimensional figure of merit of FoM2D=1.7. Compared to conventional spin detectors, the new type is thus characterized by a gain in efficiency of 4 orders of magnitude. The operational reliability of the new spin polarimeter could be proven by measurements with a Fe/MgO(100) and O p(1 x 1)/Fe(100)-sample, where results from the literature were reproduced with strongly decreased measuring time. Due to the high intensity it becomes possible, to investigate strongly reactive samples in a short time. This advantage

  1. Angle-resolved spin wave band diagrams of square antidot lattices studied by Brillouin light scattering

    International Nuclear Information System (INIS)

    The Brillouin light scattering technique has been exploited to study the angle-resolved spin wave band diagrams of squared Permalloy antidot lattice. Frequency dispersion of spin waves has been measured for a set of fixed wave vector magnitudes, while varying the wave vector in-plane orientation with respect to the applied magnetic field. The magnonic band gap between the two most dispersive modes exhibits a minimum value at an angular position, which exclusively depends on the product between the selected wave vector magnitude and the lattice constant of the array. The experimental data are in very good agreement with predictions obtained by dynamical matrix method calculations. The presented results are relevant for magnonic devices where the antidot lattice, acting as a diffraction grating, is exploited to achieve multidirectional spin wave emission

  2. Angle-resolved spin wave band diagrams of square antidot lattices studied by Brillouin light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gubbiotti, G.; Tacchi, S. [Istituto Officina dei Materiali del Consiglio Nazionale delle Ricerche (IOM-CNR), Sede di Perugia, c/o Dipartimento di Fisica e Geologia, Via A. Pascoli, I-06123 Perugia (Italy); Montoncello, F.; Giovannini, L. [Dipartimento di Fisica e Scienze della Terra, Università di Ferrara, Via G. Saragat 1, I-44122 Ferrara (Italy); Madami, M.; Carlotti, G. [Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, I-06123 Perugia (Italy); Ding, J.; Adeyeye, A. O. [Information Storage Materials Laboratory, Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore)

    2015-06-29

    The Brillouin light scattering technique has been exploited to study the angle-resolved spin wave band diagrams of squared Permalloy antidot lattice. Frequency dispersion of spin waves has been measured for a set of fixed wave vector magnitudes, while varying the wave vector in-plane orientation with respect to the applied magnetic field. The magnonic band gap between the two most dispersive modes exhibits a minimum value at an angular position, which exclusively depends on the product between the selected wave vector magnitude and the lattice constant of the array. The experimental data are in very good agreement with predictions obtained by dynamical matrix method calculations. The presented results are relevant for magnonic devices where the antidot lattice, acting as a diffraction grating, is exploited to achieve multidirectional spin wave emission.

  3. Low flip-angle spin-echo imaging of the liver

    International Nuclear Information System (INIS)

    Dependence on T1 contrast can be reduced by changing the excitation flip angle. Low flip-angle spin-echo imaging can reduce imaging time because repetition time (TR) is reduced. The authors assessed the efficacy of low flip-angle spin-echo images in phantoms and in the liver. MR phantoms made from polyvinyl alcohol gel to model the properties of the normal liver, hepatocellular carcinoma (HCC), and hemangioma were scanned with various flip angles of TR 2400 and 1200 msec. Measured signal intensities fitted well with theoretical values. The T1 contrast of signal intensity decreased as the flip angle was reduced, accompanied by a decrease in signal-to-noise ratio (S/N). Thirty patients with hepatic space-occupying lesions (23 with HCC, 3 with metastases and 4 with hemangioma) were studied by conventional SE (CSE) at 2400/60/2 (TR/TE/NEX[number of excitations])(10 min 46 sec imaging time) and low flip-angle SE (LFSE) at 1200/60/30deg/2 (TR/TE/FA/NEX)(5:20) and/or 1200/60/30deg/4 (10:18). The sensitivity of CSE in detecting lesions was 93%. It was 92% for LFSE with two NEX and 94% for LFSE with four NEX pulse sequences. The contrast-to-noise ratio (C/N) for images (HCC/liver, hemangioma/liver) obtained by LFSE with four NEX was significantly higher than for those obtained by CSE. Although the C/N (lesion/liver) for LFSE with two NEX sequences was lower than that of CSE for any type of lesion (3.0 vs 3.5 for HCC; 5.1 vs 6.3 for metastases; 8.3 vs 9.7 for hemangioma), the difference was not significant. Although reducing the flip angle from 90deg to 30deg with two NEX resulted in a decrease in S/N (10.7 to 8.9 for HCC; 15.3 to 11.9 for metastases; 20.0 to 18.1 for hemangioma; 7.4 to 6.3 for normal liver; 10.7 to 10.1 for spleen), the difference was not significant. For hepatic space-occupying lesions, low flip-angle spin-echo imaging is useful to obtain T2-weighted images in a shorter imaging time without sacrificing lesion detectability. (author)

  4. Structure of (NH4)3GaF6 investigated by multinuclear magic-angle spinning NMR spectroscopy in comparison with rietveld refinement.

    Science.gov (United States)

    Krahl, Thoralf; Ahrens, Mike; Scholz, Gudrun; Heidemann, Detlef; Kemnitz, Erhard

    2008-01-21

    The structure of ammonium gallium cryolite (NH(4))(3)GaF(6) was investigated by (19)F and (69,71)Ga magic-angle spinning (MAS) NMR in comparison with X-ray powder diffraction followed by Rietveld refinement. In agreement with previous thermodynamic measurements, NMR experiments on (NH(4))(3)GaF(6) support the model of rigid GaF(6) octahedra. At high spinning speeds (30 kHz), the scalar coupling between the six equivalent (19)F nuclei and (69,71)Ga can be directly observed in the powder spectra. The coupling constants are J(19)F(69)Ga = 197 Hz and J(19)F(71)Ga = 264 Hz. To explain the (71)Ga spectra recorded at 3 kHz a small distribution of quadrupolar frequencies has to be included. The spread of the spinning sidebands hints to a largest nu(Q) value of 28 kHz for (71)Ga. This can be explained by the occurrence of highly symmetric GaF(6) octahedra, which are tilted against the surrounding atoms. In addition, the incomplete motional excitation does not average out the quadrupolar effects. NMR findings are in discrepancy to those of Rietveld refinement. As result it appears that X-ray diffraction is not sensitive enough to deliver proper results. PMID:18069821

  5. Assessment of a 1H high-resolution magic angle spinning NMR spectroscopy procedure for free sugars quantification in intact plant tissue.

    Science.gov (United States)

    Delgado-Goñi, Teresa; Campo, Sonia; Martín-Sitjar, Juana; Cabañas, Miquel E; San Segundo, Blanca; Arús, Carles

    2013-08-01

    In most plants, sucrose is the primary product of photosynthesis, the transport form of assimilated carbon, and also one of the main factors determining sweetness in fresh fruits. Traditional methods for sugar quantification (mainly sucrose, glucose and fructose) require obtaining crude plant extracts, which sometimes involve substantial sample manipulation, making the process time-consuming and increasing the risk of sample degradation. Here, we describe and validate a fast method to determine sugar content in intact plant tissue by using high-resolution magic angle spinning nuclear magnetic resonance spectroscopy (HR-MAS NMR). The HR-MAS NMR method was used for quantifying sucrose, glucose and fructose in mesocarp tissues from melon fruits (Cucumis melo var. reticulatus and Cucumis melo var. cantalupensis). The resulting sugar content varied among individual melons, ranging from 1.4 to 7.3 g of sucrose, 0.4-2.5 g of glucose; and 0.73-2.83 g of fructose (values per 100 g fw). These values were in agreement with those described in the literature for melon fruit tissue, and no significant differences were found when comparing them with those obtained using the traditional, enzymatic procedure, on melon tissue extracts. The HR-MAS NMR method offers a fast (usually <30 min) and sensitive method for sugar quantification in intact plant tissues, it requires a small amount of tissue (typically 50 mg fw) and avoids the interferences and risks associated with obtaining plant extracts. Furthermore, this method might also allow the quantification of additional metabolites detectable in the plant tissue NMR spectrum. PMID:23824526

  6. Spin-orbit angle of Kepler-13Ab from gravity-darkened transit light curves

    Science.gov (United States)

    Masuda, Kento

    2015-08-01

    A rotating star is fainter at its equator than its pole due to the reduction of the effective surface gravity, which is a phenomenon known as the gravity darkening. Analysis of the transit light curve deformed by this effect provides a unique opportunity to photometrically measure both components of the stellar obliquity ψ, the sky-projected spin-orbit angle λ and inclination of the stellar spin axis i*. We apply the method to Kepler-13A, a transiting hot Jupiter system found with the Kepler space telescope. Previously, Barnes et al. (2011) reported λ=24°± 4° and i* =45° ± 4° (assuming the host-star mass of 1.83M⊙) with the gravity-darkening method, while the Doppler tomography by Johnson et al. (2014) indicated λ = 58.6° ± 2.0°, in clear disagreement with the previous estimate. In this study, we find that the spin-orbit angle obtained from the gravity-darkening method is sensitive to the adopted limb-darkening profile of the host star. Indeed, the joint solution that satisfies the constraint λ = 58.6° ± 2.0° can be obtained if both of the two parameters in the quadratic limb-darkening law are fitted. The new solution indicates that the star is rather close to an equator-on configuration with i* = 81° ± 5° and ψ = 60° ± 2°, and the resulting stellar rotation period 24 ± 2 hr better agrees with the estimate by Szabo et al. (2012, 2014). We also report the temporal variation in the orbital inclination of Kepler-13Ab, d |cos iorb|/dt = (-7.0 ± 0.4) × 10-6 day-1, which further supports the spin-orbit precession scenario proposed by Szabo et al. (2012). By fitting the precession model to the time series of iorb, λ, and i⋆ obtained with the gravity-darkened model, we constrain the stellar quadrupole moment J2 = (6.1 ± 0.3) × 10-5 for our joint solution, which is several times smaller than J2 = (1.66 ± 0.08) × 10-4 obtained for the same solution as found by Barnes et al. (2011). The difference in the spin-orbit angle evolutions

  7. Wavelength-independent constant period spin-echo modulated small angle neutron scattering

    Science.gov (United States)

    Sales, Morten; Plomp, Jeroen; Habicht, Klaus; Tremsin, Anton; Bouwman, Wim; Strobl, Markus

    2016-06-01

    Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI.

  8. Fingerprints of entangled spin and orbital physics in itinerant ferromagnets via angle-resolved resonant photoemission

    Science.gov (United States)

    Da Pieve, F.

    2016-01-01

    A method for mapping the local spin and orbital nature of the ground state of a system via corresponding flip excitations is proposed based on angle-resolved resonant photoemission and related diffraction patterns, obtained here via an ab initio modified one-step theory of photoemission. The analysis is done on the paradigmatic weak itinerant ferromagnet bcc Fe, whose magnetism, a correlation phenomenon given by the coexistence of localized moments and itinerant electrons, and the observed non-Fermi-Liquid behavior at extreme conditions both remain unclear. The combined analysis of energy spectra and diffraction patterns offers a mapping of local pure spin-flip, entangled spin-flip-orbital-flip excitations and chiral transitions with vortexlike wave fronts of photoelectrons, depending on the valence orbital symmetry and the direction of the local magnetic moment. Such effects, mediated by the hole polarization, make resonant photoemission a promising tool to perform a full tomography of the local magnetic properties even in itinerant ferromagnets or macroscopically nonmagnetic systems.

  9. 29Si and 27Al MAS NMR spectra of mullites from different kaolinites.

    Science.gov (United States)

    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

  10. Hydrogen and deuterium NMR of solids by magic-angle spinning

    International Nuclear Information System (INIS)

    The nuclear magnetic resonance of solids has long been characterized by very large specral broadening which arises from internuclear dipole-dipole coupling or the nuclear electric quadrupole interaction. These couplings can obscure the smaller chemical shift interaction and make that information unavailable. Two important and difficult cases are that of hydrogen and deuterium. The development of cross polarization, heteronuclear radiofrequency decoupling, and coherent averaging of nuclear spin interactions has provided measurement of chemical shift tensors in solids. Recently, double quantum NMR and double quantum decoupling have led to measurement of deuterium and proton chemical shift tensors, respectively. A general problem of these experiments is the overlapping of the tensor powder pattern spectra of magnetically distinct sites which cannot be resolved. In this work, high resolution NMR of hydrogen and deuterium in solids is demonstrated. For both nuclei, the resonances are narrowed to obtain liquid-like isotropic spectra by high frequency rotation of the sample about an axis inclined at the magic angle, β/sub m/ = Arccos (3/sup -1/2/), with respect to the direction of the external magnetic field. For deuterium, the powder spectra were narrowed by over three orders of magnitude by magic angle rotation with precise control of β. A second approach was the observation of deuterium double quantum transitions under magic angle rotation. For hydrogen, magic angle rotation alone could be applied to obtain the isotropic spectrum when H/sub D/ was small. This often occurs naturally when the nuclei are semi-dilute or involved in internal motion. In the general case of large H/sub D/, isotropic spectra were obtained by dilution of 1H with 2H combined with magic angle rotation. The resolution obtained represents the practical limit for proton NMR of solids

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. Spectral editing at ultra-fast magic-angle-spinning in solid-state NMR: facilitating protein sequential signal assignment by HIGHLIGHT approach

    International Nuclear Information System (INIS)

    This study demonstrates a novel spectral editing technique for protein solid-state NMR (SSNMR) to simplify the spectrum drastically and to reduce the ambiguity for protein main-chain signal assignments in fast magic-angle-spinning (MAS) conditions at a wide frequency range of 40–80 kHz. The approach termed HIGHLIGHT (Wang et al., in Chem Comm 51:15055–15058, 2015) combines the reverse 13C, 15N-isotope labeling strategy and selective signal quenching using the frequency-selective REDOR pulse sequence under fast MAS. The scheme allows one to selectively observe the signals of “highlighted” labeled amino-acid residues that precede or follow unlabeled residues through selectively quenching 13CO or 15N signals for a pair of consecutively labeled residues by recoupling 13CO–15N dipolar couplings. Our numerical simulation results showed that the scheme yielded only ∼15 % loss of signals for the highlighted residues while quenching as much as ∼90 % of signals for non-highlighted residues. For lysine-reverse-labeled micro-crystalline GB1 protein, the 2D 15N/13Cα correlation and 2D 13Cα/13CO correlation SSNMR spectra by the HIGHLIGHT approach yielded signals only for six residues following and preceding the unlabeled lysine residues, respectively. The experimental dephasing curves agreed reasonably well with the corresponding simulation results for highlighted and quenched residues at spinning speeds of 40 and 60 kHz. The compatibility of the HIGHLIGHT approach with fast MAS allows for sensitivity enhancement by paramagnetic assisted data collection (PACC) and 1H detection. We also discuss how the HIGHLIGHT approach facilitates signal assignments using 13C-detected 3D SSNMR by demonstrating full sequential assignments of lysine-reverse-labeled micro-crystalline GB1 protein (∼300 nmol), for which data collection required only 11 h. The HIGHLIGHT approach offers valuable means of signal assignments especially for larger proteins through reducing the

  13. Spectral editing at ultra-fast magic-angle-spinning in solid-state NMR: facilitating protein sequential signal assignment by HIGHLIGHT approach

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Songlin; Matsuda, Isamu; Long, Fei; Ishii, Yoshitaka, E-mail: yishii@uic.edu [University of Illinois at Chicago, Department of Chemistry (United States)

    2016-02-15

    This study demonstrates a novel spectral editing technique for protein solid-state NMR (SSNMR) to simplify the spectrum drastically and to reduce the ambiguity for protein main-chain signal assignments in fast magic-angle-spinning (MAS) conditions at a wide frequency range of 40–80 kHz. The approach termed HIGHLIGHT (Wang et al., in Chem Comm 51:15055–15058, 2015) combines the reverse {sup 13}C, {sup 15}N-isotope labeling strategy and selective signal quenching using the frequency-selective REDOR pulse sequence under fast MAS. The scheme allows one to selectively observe the signals of “highlighted” labeled amino-acid residues that precede or follow unlabeled residues through selectively quenching {sup 13}CO or {sup 15}N signals for a pair of consecutively labeled residues by recoupling {sup 13}CO–{sup 15}N dipolar couplings. Our numerical simulation results showed that the scheme yielded only ∼15 % loss of signals for the highlighted residues while quenching as much as ∼90 % of signals for non-highlighted residues. For lysine-reverse-labeled micro-crystalline GB1 protein, the 2D {sup 15}N/{sup 13}C{sub α} correlation and 2D {sup 13}C{sub α}/{sup 13}CO correlation SSNMR spectra by the HIGHLIGHT approach yielded signals only for six residues following and preceding the unlabeled lysine residues, respectively. The experimental dephasing curves agreed reasonably well with the corresponding simulation results for highlighted and quenched residues at spinning speeds of 40 and 60 kHz. The compatibility of the HIGHLIGHT approach with fast MAS allows for sensitivity enhancement by paramagnetic assisted data collection (PACC) and {sup 1}H detection. We also discuss how the HIGHLIGHT approach facilitates signal assignments using {sup 13}C-detected 3D SSNMR by demonstrating full sequential assignments of lysine-reverse-labeled micro-crystalline GB1 protein (∼300 nmol), for which data collection required only 11 h. The HIGHLIGHT approach offers valuable

  14. Spin- and angle-resolved photoemission on the topological Kondo insulator candidate: SmB6

    Science.gov (United States)

    Xu, Nan; Ding, Hong; Shi, Ming

    2016-09-01

    Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other 3D topological insulators, a truly insulating bulk state, which is critical for potential applications in next-generation electronic devices, is guaranteed by many-body effects in the topological Kondo insulator. Furthermore, the system has strong electron correlations that can serve as a testbed for interacting topological theories. This topical review focuses on recent advances in the study of SmB6, the most promising candidate for a topological Kondo insulator, from the perspective of spin- and angle-resolved photoemission spectroscopy with highlights of some important transport results.

  15. Spin- and angle-resolved photoemission on the topological Kondo insulator candidate: SmB6.

    Science.gov (United States)

    Xu, Nan; Ding, Hong; Shi, Ming

    2016-09-14

    Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other 3D topological insulators, a truly insulating bulk state, which is critical for potential applications in next-generation electronic devices, is guaranteed by many-body effects in the topological Kondo insulator. Furthermore, the system has strong electron correlations that can serve as a testbed for interacting topological theories. This topical review focuses on recent advances in the study of SmB6, the most promising candidate for a topological Kondo insulator, from the perspective of spin- and angle-resolved photoemission spectroscopy with highlights of some important transport results. PMID:27391865

  16. Magic-angle spinning NMR of intact bacteriophages: Insights into the capsid, DNA and their interface

    Science.gov (United States)

    Abramov, Gili; Morag, Omry; Goldbourt, Amir

    2015-04-01

    Bacteriophages are viruses that infect bacteria. They are complex macromolecular assemblies, which are composed of multiple protein subunits that protect genomic material and deliver it to specific hosts. Various biophysical techniques have been used to characterize their structure in order to unravel phage morphogenesis. Yet, most bacteriophages are non-crystalline and have very high molecular weights, in the order of tens of MegaDaltons. Therefore, complete atomic-resolution characterization on such systems that encompass both capsid and DNA is scarce. In this perspective article we demonstrate how magic-angle spinning solid-state NMR has and is used to characterize in detail bacteriophage viruses, including filamentous and icosahedral phage. We discuss the process of sample preparation, spectral assignment of both capsid and DNA and the use of chemical shifts and dipolar couplings to probe the capsid-DNA interface, describe capsid structure and dynamics and extract structural differences between viruses.

  17. 13C magic angle spinning NMR study of CO adsorption on Ru-exchanged zeolite Y

    International Nuclear Information System (INIS)

    Three types of adsorbed carbon monoxide are observed on Ru-Y zeolite by 13C magic angle spinning NMR: linear, bridged, and dicarbonyl CO. Samples exposed to CO at room temperature exhibit only linear and dicarbonyl species. At higher adsorption temperature bridged species are formed and a relative increase in dicarbonyl adsorption is observed. A smaller percentage of linear species is produced at high temperature. The electronic environments of linearly bonded CO are more diverse than those of bridging and dicarbonyl moieties. CO2 is formed over Ru-Y zeolite upon initial exposure of the catalyst to CO at room temperature, apparently through reaction with unreduced metal oxide. 20 references, 2 figures, 1 table

  18. Magic-angle spinning solid-state NMR of a 144 kDa membrane protein complex: E. coli cytochrome bo3 oxidase

    International Nuclear Information System (INIS)

    Recent progress in magic-angle spinning (MAS) solid-state NMR (SSNMR) has enabled multidimensional studies of large, macroscopically unoriented membrane proteins with associated lipids, without the requirement of solubility that limits other structural techniques. Here we present initial sample preparation and SSNMR studies of a 144 kDa integral membrane protein, E. coli cytochrome bo3 oxidase. The optimized protocol for expression and purification yields ∼5 mg of the enzymatically active, uniformly 13C,15N-enriched membrane protein complex from each liter of growth medium. The preparation retains endogenous lipids and yields spectra of high sensitivity and resolution, consistent with a folded, homogenous protein. Line widths of isolated signals are less than 0.5 ppm, with a large number of individual resonances resolved in the 2D and 3D spectra. The 13C chemical shifts, assigned by amino acid type, are consistent with the secondary structure previously observed by diffraction methods. Although the structure is predominantly helical, the percentage of non-helical signals varies among residue types; these percentages agree well between the NMR and diffraction data. Samples show minimal evidence of degradation after several weeks of NMR data acquisition. Use of a triple resonance scroll resonator probe further improves sample stability and enables higher power decoupling, higher duty cycles and more advanced 3D experiments to be performed. These initial results in cytochrome bo3 oxidase demonstrate that multidimensional MAS SSNMR techniques have sufficient sensitivity and resolution to interrogate selected parts of a very large uniformly 13C,15N-labeled membrane protein

  19. Magic-angle spinning solid-state NMR of a 144 kDa membrane protein complex: E. coli cytochrome bo3 oxidase.

    Science.gov (United States)

    Frericks, Heather L; Zhou, Donghua H; Yap, Lai Lai; Gennis, Robert B; Rienstra, Chad M

    2006-09-01

    Recent progress in magic-angle spinning (MAS) solid-state NMR (SSNMR) has enabled multidimensional studies of large, macroscopically unoriented membrane proteins with associated lipids, without the requirement of solubility that limits other structural techniques. Here we present initial sample preparation and SSNMR studies of a 144 kDa integral membrane protein, E. coli cytochrome bo(3) oxidase. The optimized protocol for expression and purification yields approximately 5 mg of the enzymatically active, uniformly (13)C,(15)N-enriched membrane protein complex from each liter of growth medium. The preparation retains endogenous lipids and yields spectra of high sensitivity and resolution, consistent with a folded, homogenous protein. Line widths of isolated signals are less than 0.5 ppm, with a large number of individual resonances resolved in the 2D and 3D spectra. The (13)C chemical shifts, assigned by amino acid type, are consistent with the secondary structure previously observed by diffraction methods. Although the structure is predominantly helical, the percentage of non-helical signals varies among residue types; these percentages agree well between the NMR and diffraction data. Samples show minimal evidence of degradation after several weeks of NMR data acquisition. Use of a triple resonance scroll resonator probe further improves sample stability and enables higher power decoupling, higher duty cycles and more advanced 3D experiments to be performed. These initial results in cytochrome bo(3) oxidase demonstrate that multidimensional MAS SSNMR techniques have sufficient sensitivity and resolution to interrogate selected parts of a very large uniformly (13)C,(15)N-labeled membrane protein. PMID:16964530

  20. Selective excitation enables assignment of proton resonances and {sup 1}H-{sup 1}H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    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)

    2015-07-21

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of {sup 1}H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as {sup 13}C or {sup 15}N. In this method, after the initial preparation of proton magnetization and cross-polarization to {sup 13}C nuclei, transverse magnetization of desired {sup 13}C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific {sup 13}C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of {sup 1}H-{sup 1}H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

  1. Spin waves in full-polarized state of Dzyaloshinskii-Moriya helimagnets: Small-angle neutron scattering study

    Science.gov (United States)

    Grigoriev, S. V.; Sukhanov, A. S.; Altynbaev, E. V.; Siegfried, S.-A.; Heinemann, A.; Kizhe, P.; Maleyev, S. V.

    2015-12-01

    We develop the technique to study the spin-wave dynamics of the full-polarized state of the Dzyaloshinskii-Moriya helimagnets by polarized small-angle neutron scattering. We have experimentally proven that the spin-waves dispersion in this state has the anisotropic form. We show that the neutron scattering image displays a circle with a certain radius which is centered at the momentum transfer corresponding to the helix wave vector in helimagnetic phase ks, which is oriented along the applied magnetic field H . The radius of this circle is directly related to the spin-wave stiffness of this system. This scattering depends on the neutron polarization showing the one-handed nature of the spin waves in Dzyaloshinskii-Moriya helimagnets in the full-polarized phase. We show that the spin-wave stiffness A for MnSi helimagnet decreased twice as the temperature increases from zero to the critical temperature Tc.

  2. Spin-polarized surface bands of a three-dimensional topological insulator studied by high-resolution spin- and angle-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    The spin-polarized surface band structure of the three-dimensional (3D) quantum spin Hall phase of Bi1-xSbx (x=0.12-0.13) was studied by spin- and angle-resolved photoemission spectroscopy (SARPES) using a high-yield spin polarimeter equipped with a high-resolution electron spectrometer. The spin-integrated spectra were also measured and compared to those of Bi1-xSbx with x=0.04. Band dispersions of the edge states were fully elucidated between the two time-reversal-invariant points, Γ-bar and M-bar, of the (111) surface Brillouin zone. The observed spin-polarized band dispersions at x=0.12-0.13 indicate an odd number of the band crossing at the Fermi energy, giving unambiguous evidence that this system is a 3D strong topological insulator, and determine the 'mirror chirality' to be -1, which excludes the existence of a Dirac point in the middle of the Γ-bar-M-bar line. The present research demonstrates that the SARPES measurement with energy resolution ≤50 meV is one of the critical techniques for complementing the topological band theory for spins and spin currents.

  3. Strong spin-orbit coupling and Zeeman spin splitting in angle dependent magnetoresistance of Bi{sub 2}Te{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Rik, E-mail: rikdey@utexas.edu; Pramanik, Tanmoy; Roy, Anupam; Rai, Amritesh; Guchhait, Samaresh; Sonde, Sushant; Movva, Hema C. P.; Register, Leonard F.; Banerjee, Sanjay K. [Microelectronics Research Center, University of Texas at Austin, Austin, Texas 78758 (United States); Colombo, Luigi [Texas Instruments, Dallas, Texas 75243 (United States)

    2014-06-02

    We have studied angle dependent magnetoresistance of Bi{sub 2}Te{sub 3} thin film with field up to 9 T over 2–20 K temperatures. The perpendicular field magnetoresistance has been explained by the Hikami-Larkin-Nagaoka theory alone in a system with strong spin-orbit coupling, from which we have estimated the mean free path, the phase coherence length, and the spin-orbit relaxation time. We have obtained the out-of-plane spin-orbit relaxation time to be small and the in-plane spin-orbit relaxation time to be comparable to the momentum relaxation time. The estimation of these charge and spin transport parameters are useful for spintronics applications. For parallel field magnetoresistance, we have confirmed the presence of Zeeman effect which is otherwise suppressed in perpendicular field magnetoresistance due to strong spin-orbit coupling. The parallel field data have been explained using both the contributions from the Maekawa-Fukuyama localization theory for non-interacting electrons and Lee-Ramakrishnan theory of electron-electron interactions. The estimated Zeeman g-factor and the strength of Coulomb screening parameter agree well with the theory. Finally, the anisotropy in magnetoresistance with respect to angle has been described by the Hikami-Larkin-Nagaoka theory. This anisotropy can be used in anisotropic magnetic sensor applications.

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

    Science.gov (United States)

    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.

  5. Site-resolved multiple-quantum filtered correlations and distance measurements by magic-angle spinning NMR: Theory and applications to spins with weak to vanishing quadrupolar couplings

    International Nuclear Information System (INIS)

    We discuss and analyze four magic-angle spinning solid-state NMR methods that can be used to measure internuclear distances and to obtain correlation spectra between a spin I = 1/2 and a half-integer spin S > 1/2 having a small quadrupolar coupling constant. Three of the methods are based on the heteronuclear multiple-quantum and single-quantum correlation experiments, that is, high rank tensors that involve the half spin and the quadrupolar spin are generated. Here, both zero and single-quantum coherence of the half spins are allowed and various coherence orders of the quadrupolar spin are generated, and filtered, via active recoupling of the dipolar interaction. As a result of generating coherence orders larger than one, the spectral resolution for the quadrupolar nucleus increases linearly with the coherence order. Since the formation of high rank tensors is independent of the existence of a finite quadrupolar interaction, these experiments are also suitable to materials in which there is high symmetry around the quadrupolar spin. A fourth experiment is based on the initial quadrupolar-driven excitation of symmetric high order coherences (up to p = 2S, where S is the spin number) and subsequently generating by the heteronuclear dipolar interaction higher rank (l + 1 or higher) tensors that involve also the half spins. Due to the nature of this technique, it also provides information on the relative orientations of the quadrupolar and dipolar interaction tensors. For the ideal case in which the pulses are sufficiently strong with respect to other interactions, we derive analytical expressions for all experiments as well as for the transferred echo double resonance experiment involving a quadrupolar spin. We show by comparison of the fitting of simulations and the analytical expressions to experimental data that the analytical expressions are sufficiently accurate to provide experimental 7Li–13C distances in a complex of lithium, glycine, and water. Discussion

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

    International Nuclear Information System (INIS)

    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.

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

    Science.gov (United States)

    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

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  9. Crystalline phase of sodium germanate system determined by x-ray diffraction and 23Na magic angle spinning nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Crystalline products of sodium germanate glasses system with composition from 10 mol% to 50 mol% Na2O have been investigated using 23Na magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy and x-ray diffraction (XRD). Fitting of the 23Na NMR spectra of the crystalline phases concerning different crystallographically sodium atom in sodium germanate system are reasonably reproducible as observed by the spectra obtained. The line shape simulations of the 23Na NMR spectra yielded NMR quadrupolar parameters such as nuclear quadrupole coupling constants (CQ), asymmetry parameters (η), and isotropic chemical shifts (δi). 23Na NMR isotropic chemical shift may also provide further information on the structural environment of the sodium atom. A simple correlation between structure and NMR parameters to be tested can be used to probe the structure of sodium germanate glasses. The experimental 23Na chemical shifts correlate well with an empirical shift parameter based on the total oxygen-cation bond valence and Na-O distances of all oxygen atoms in the first coordination sphere of the sodium cation. In this study the different phases in the sodium germanate system were identified. These results show that 23Na NMR can provide examples of the types of structural information for sodium germanate system. (Author)

  10. Magic Angle Spinning NMR Reveals Sequence-Dependent Structural Plasticity, Dynamics, and the Spacer Peptide 1 Conformation in HIV-1 Capsid Protein Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Han, Yun; Hou, Guangjin; Suiter, Christopher L.; Ahn, Jinwoo; Byeon, In-Ja L.; Lipton, Andrew S.; Burton, Sarah D.; Hung, Ivan; Gorkov, Peter L.; Gan, Zhehong; Brey, William W.; Rice, David M.; Gronenborn, Angela M.; Polenova, Tatyana E.

    2013-11-27

    Maturation of HIV-1 virus into an infectious virion requires cleavage of the Gag polyprotein into its constituent domains and formation of a conical capsid core that encloses viral RNA and a small complement of proteins for replication. The final step of this process is the cleavage of the SP1 peptide from the CA-SP1 maturation intermediate, which triggers the condensation of the CA protein into a conical capsid. The mechanism of this step, including the conformation of the SP1 peptide in CA-SP1, is under intense debate. In this report, we examine the tubular assemblies of CA and the CA-SP1 maturation intermediate using Magic Angle Spinning NMR spectroscopy. At the magnetic fields of 19.9 T and above, tubular CA and CA-SP1 assemblies yield outstanding-quality 2D and 3D MAS NMR spectra, which are amenable to resonance assignments and detailed structural characterization. Dipolar- and scalar-based correlation experiments unequivocally indicate that SP1 peptide is in a random coil conformation and mobile in the assembled CA-SP1. Analysis of two sequence variants reveals that remarkably, the conformation of SP1 tail, of the functionally important CypA loop, and of the loop preceding helix 8 are sequence dependent and modulated by the residue variations at distal sites. These findings challenge the role of SP1 as a conformational switch in the maturation process and establish sequence-dependent conformational plasticity in CA.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-10-15

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

  12. A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy

    International Nuclear Information System (INIS)

    A unified strategy of two-pulse based heteronuclear decoupling for solid-state magic-angle spinning nuclear magnetic resonance is presented. The analysis presented here shows that different decoupling sequences like two-pulse phase-modulation (TPPM), X-inverse-X (XiX), and finite pulse refocused continuous wave (rCWA) are basically specific solutions of a more generalized decoupling scheme which incorporates the concept of time-modulation along with phase-modulation. A plethora of other good decoupling conditions apart from the standard, TPPM, XiX, and rCWA decoupling conditions are available from the unified decoupling approach. The importance of combined time- and phase-modulation in order to achieve the best decoupling conditions is delineated. The consequences of different indirect dipolar interactions arising from cross terms comprising of heteronuclear and homonuclear dipolar coupling terms and also those between heteronuclear dipolar coupling and chemical-shift anisotropy terms are presented in order to unfold the effects of anisotropic interactions under different decoupling conditions. Extensive numerical simulation results are corroborated with experiments on standard amino acids

  13. A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Equbal, Asif; Bjerring, Morten; Nielsen, Niels Chr., E-mail: madhu@tifr.res.in, E-mail: ncn@inano.au.dk [Center for Insoluble Protein Structures, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, Aarhus University, Gustav Wieds Vej 14, DK-8000 Aarhus C (Denmark); Madhu, P. K., E-mail: madhu@tifr.res.in, E-mail: ncn@inano.au.dk [Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005 (India); TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500075 (India)

    2015-05-14

    A unified strategy of two-pulse based heteronuclear decoupling for solid-state magic-angle spinning nuclear magnetic resonance is presented. The analysis presented here shows that different decoupling sequences like two-pulse phase-modulation (TPPM), X-inverse-X (XiX), and finite pulse refocused continuous wave (rCW{sup A}) are basically specific solutions of a more generalized decoupling scheme which incorporates the concept of time-modulation along with phase-modulation. A plethora of other good decoupling conditions apart from the standard, TPPM, XiX, and rCW{sup A} decoupling conditions are available from the unified decoupling approach. The importance of combined time- and phase-modulation in order to achieve the best decoupling conditions is delineated. The consequences of different indirect dipolar interactions arising from cross terms comprising of heteronuclear and homonuclear dipolar coupling terms and also those between heteronuclear dipolar coupling and chemical-shift anisotropy terms are presented in order to unfold the effects of anisotropic interactions under different decoupling conditions. Extensive numerical simulation results are corroborated with experiments on standard amino acids.

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

    DEFF Research Database (Denmark)

    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...

  15. Metabolomics of Breast Cancer Using High-Resolution Magic Angle Spinning Magnetic Resonance Spectroscopy: Correlations with 18F-FDG Positron Emission Tomography-Computed Tomography, Dynamic Contrast-Enhanced and Diffusion-Weighted Imaging MRI

    Science.gov (United States)

    Yoon, Haesung; Yoon, Dahye; Yun, Mijin; Choi, Ji Soo; Park, Vivian Youngjean; Kim, Eun-Kyung; Jeong, Joon; Koo, Ja Seung; Yoon, Jung Hyun; Moon, Hee Jung; Kim, Suhkmann; Kim, Min Jung

    2016-01-01

    Purpose Our goal in this study was to find correlations between breast cancer metabolites and conventional quantitative imaging parameters using high-resolution magic angle spinning (HR-MAS) magnetic resonance spectroscopy (MRS) and to find breast cancer subgroups that show high correlations between metabolites and imaging parameters. Materials and methods Between August 2010 and December 2013, we included 53 female patients (mean age 49.6 years; age range 32–75 years) with a total of 53 breast lesions assessed by the Breast Imaging Reporting and Data System. They were enrolled under the following criteria: breast lesions larger than 1 cm in diameter which 1) were suspicious for malignancy on mammography or ultrasound (US), 2) were pathologically confirmed to be breast cancer with US-guided core-needle biopsy (CNB) 3) underwent 3 Tesla MRI with dynamic contrast-enhanced (DCE) and diffusion-weighted imaging (DWI) and positron emission tomography-computed tomography (PET-CT), and 4) had an attainable immunohistochemistry profile from CNB. We acquired spectral data by HR-MAS MRS with CNB specimens and expressed the data as relative metabolite concentrations. We compared the metabolites with the signal enhancement ratio (SER), maximum standardized FDG uptake value (SUV max), apparent diffusion coefficient (ADC), and histopathologic prognostic factors for correlation. We calculated Spearman correlations and performed a partial least squares-discriminant analysis (PLS-DA) to further classify patient groups into subgroups to find correlation differences between HR-MAS spectroscopic values and conventional imaging parameters. Results In a multivariate analysis, the PLS-DA models built with HR-MAS MRS metabolic profiles showed visible discrimination between high and low SER, SUV, and ADC. In luminal subtype breast cancer, compared to all cases, high SER, ADV, and SUV were more closely clustered by visual assessment. Multiple metabolites were correlated with SER and SUV in

  16. Mess: a small-angle high resolution neutron spin echo spectrometer installed on a neutron guide of the Orphee reactor

    International Nuclear Information System (INIS)

    A new small-angle, high resolution Neutron Spin Echo (NSE) spectrometer, MESS*, has been built using both novel devices and new developments such as - a conceptually new velocity-selector, a polarizer which intercepts a large solid angle and operates in transmission geometry, an XY-position sensitive detector, and the Maximum Entropy Method of Data Analysis. A gain of 4 in the spectral resolution as well as a gain of 2 in the spatial one is expected over the IN11 spectrometer at the Institut Laue Langevin. First tests have been successfully carried out and NSE echoes were obtained

  17. Site-resolved multiple-quantum filtered correlations and distance measurements by magic-angle spinning NMR: Theory and applications to spins with weak to vanishing quadrupolar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Eliav, U., E-mail: amirgo@tau.ac.il, E-mail: eliav@tau.ac.il; Haimovich, A.; Goldbourt, A., E-mail: amirgo@tau.ac.il, E-mail: eliav@tau.ac.il [School of Chemistry, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv, 69978 Tel Aviv (Israel)

    2016-01-14

    We discuss and analyze four magic-angle spinning solid-state NMR methods that can be used to measure internuclear distances and to obtain correlation spectra between a spin I = 1/2 and a half-integer spin S > 1/2 having a small quadrupolar coupling constant. Three of the methods are based on the heteronuclear multiple-quantum and single-quantum correlation experiments, that is, high rank tensors that involve the half spin and the quadrupolar spin are generated. Here, both zero and single-quantum coherence of the half spins are allowed and various coherence orders of the quadrupolar spin are generated, and filtered, via active recoupling of the dipolar interaction. As a result of generating coherence orders larger than one, the spectral resolution for the quadrupolar nucleus increases linearly with the coherence order. Since the formation of high rank tensors is independent of the existence of a finite quadrupolar interaction, these experiments are also suitable to materials in which there is high symmetry around the quadrupolar spin. A fourth experiment is based on the initial quadrupolar-driven excitation of symmetric high order coherences (up to p = 2S, where S is the spin number) and subsequently generating by the heteronuclear dipolar interaction higher rank (l + 1 or higher) tensors that involve also the half spins. Due to the nature of this technique, it also provides information on the relative orientations of the quadrupolar and dipolar interaction tensors. For the ideal case in which the pulses are sufficiently strong with respect to other interactions, we derive analytical expressions for all experiments as well as for the transferred echo double resonance experiment involving a quadrupolar spin. We show by comparison of the fitting of simulations and the analytical expressions to experimental data that the analytical expressions are sufficiently accurate to provide experimental {sup 7}Li–{sup 13}C distances in a complex of lithium, glycine, and water

  18. Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts

    KAUST Repository

    Li, Jianping

    2013-06-05

    Magic angle spinning solid-state NMR is a unique technique to study atomic-resolution structure of biomacromolecules which resist crystallization or are too large to study by solution NMR techniques. However, difficulties in obtaining sufficient number of long-range distance restraints using dipolar coupling based spectra hamper the process of structure determination of proteins in solid-state NMR. In this study it is shown that high-resolution structure of proteins in solid phase can be determined without the use of traditional dipolar-dipolar coupling based distance restraints by combining the measurements of pseudocontact shifts (PCSs) with Rosetta calculations. The PCSs were generated by chelating exogenous paramagnetic metal ions to a tag 4-mercaptomethyl-dipicolinic acid, which is covalently attached to different residue sites in a 56-residue immunoglobulin-binding domain of protein G (GB1). The long-range structural restraints with metal-nucleus distance of up to ∼20 Å are quantitatively extracted from experimentally observed PCSs, and these are in good agreement with the distances back-calculated using an X-ray structure model. Moreover, we demonstrate that using several paramagnetic ions with varied paramagnetic susceptibilities as well as the introduction of paramagnetic labels at different sites can dramatically increase the number of long-range restraints and cover different regions of the protein. The structure generated from solid-state NMR PCSs restraints combined with Rosetta calculations has 0.7 Å root-mean-square deviation relative to X-ray structure. © 2013 American Chemical Society.

  19. Magic-angle-spinning solid-state NMR of membrane proteins.

    Science.gov (United States)

    Baker, Lindsay A; Folkers, Gert E; Sinnige, Tessa; Houben, Klaartje; Kaplan, Mohammed; van der Cruijsen, Elwin A W; Baldus, Marc

    2015-01-01

    Solid-state NMR spectroscopy (ssNMR) provides increasing possibilities to examine membrane proteins in different molecular settings, ranging from synthetic bilayers to whole cells. This flexibility often enables ssNMR experiments to be directly correlated with membrane protein function. In this contribution, we discuss experimental aspects of such studies starting with protein expression and labeling, leading to membrane protein isolation or to membrane proteins in a cellular environment. We show that optimized procedures can depend on aspects such as the achieved levels of expression, the stability of the protein during purification or proper refolding. Dealing with native membrane samples, such as isolated cellular membranes, can alleviate or entirely remove such biochemical challenges. Subsequently, we outline ssNMR experiments that involve the use of magic-angle-spinning and can be used to study membrane protein structure and their functional aspects. We pay specific attention to spectroscopic issues such as sensitivity and spectral resolution. The latter aspect can be controlled using a combination of tailored preparation procedures with solid-state NMR experiments that simplify the spectral analysis using specific filtering and correlation methods. Such approaches have already provided access to obtain structural views of membrane proteins and study their function in lipid bilayers. Ongoing developments in sample preparation and NMR methodology, in particular in using hyperpolarization or proton-detection schemes, offer additional opportunities to study membrane proteins close to their cellular function. These considerations suggest a further increase in the potential of using solid-state NMR in the context of prokaryotic or eukaryotic membrane protein systems in the near future. PMID:25950971

  20. A study of conformational stability of poly(L-alanine), poly(L-valine), and poly(L-alanine)/poly(L-valine) blends in the solid state by (13)C cross-polarization/magic angle spinning NMR.

    Science.gov (United States)

    Murata, Katsuyoshi; Kuroki, Shigeki; Kimura, Hideaki; Ando, Isao

    2002-06-01

    13C cross-polarization/magic angle spinning (CP/MAS) NMR and (1)H T(1rho) experiments of poly(L-alanine) (PLA), poly(L-valine) (PLV), and PLA/PLV blends have been carried out in order to elucidate the conformational stability of the polypeptides in the solid state. These were prepared by adding a trifluoroacetic acid (TFA) solution of the polymer with a 2.0 wt/wt % of sulfuric acid (H(2)SO(4)) to alkaline water. From these experimental results, it is clarified that the conformations of PLA and PLV in their blends are strongly influenced by intermolecular hydrogen-bonding interactions that cause their miscibility at the molecular level. PMID:11948439

  1. Properties of mixtures of cholesterol with phosphatidylcholine or with phosphatidylserine studied by (13)C magic angle spinning nuclear magnetic resonance.

    OpenAIRE

    Epand, Richard M.; Bain, Alex D; Sayer, Brian G; Bach, Diana; Wachtel, Ellen

    2002-01-01

    The behavior of cholesterol is different in mixtures with phosphatidylcholine as compared with phosphatidylserine. In (13)C cross polarization/magic angle spinning nuclear magnetic resonance spectra, resonance peaks of the vinylic carbons of cholesterol are a doublet in samples containing 0.3 or 0.5 mol fraction cholesterol with 1-palmitoyl-2-oleoyl phosphatidylserine (POPS) or in cholesterol monohydrate crystals, but a singlet with mixtures of cholesterol and 1-palmitoyl-2-oleoyl phosphatidy...

  2. Multichannel spin polarimeter for energy- and angle-dispersive photoemission measurements; Vielkanal-Spinpolarimeter fuer energie- und winkeldispersive Photoemissionsmessungen

    Energy Technology Data Exchange (ETDEWEB)

    Kolbe, Michaela

    2011-09-09

    Spin polarization measurements of free electrons remain challenging since their first realization by Mott. The relevant quantity of a spin polarimeter is its figure of merit, FoM=S{sup 2}I/I{sub 0}, with the asymmetry function S and the ratio between scattered and primary intensity I/I{sub 0}. State-of-the-art devices are based on single-channel scattering (spin-orbit or exchange interaction) which is characterized by FoM {approx_equal}10{sup -4}. On the other hand, modern hemispherical analyzers feature an efficient multichannel detection of spin-integral intensity with more than 10{sup 4} data points simultaneously. In comparison between spin-resolved and spin-integral electron spectroscopy we are thus faced with a difference in counting efficiency by 8 orders of magnitude. The present work concentrates on the development and investigation of a novel technique for increasing the efficiency in spin-resolved electron spectroscopy by multichannel detection. The spin detector was integrated in a {mu}-metal shielded UHV-chamber and mounted behind a conventional hemispherical analyzer. The electrostatic lens system's geometry was determined by electron-optical simulations. The basic concept is the k {sub parallel} -conserving elastic scattering of the (0,0)-beam on a W(100) scattering crystal under 45 impact angle. It could be demonstrated that app. 960 data points (15 energy and 64 angular points) could be displayed simultaneously on a delayline detector in an energy interval of {approx_equal}3 eV. This leads to a two-dimensional figure of merit of FoM{sub 2D}=1.7. Compared to conventional spin detectors, the new type is thus characterized by a gain in efficiency of 4 orders of magnitude. The operational reliability of the new spin polarimeter could be proven by measurements with a Fe/MgO(100) and O p(1 x 1)/Fe(100)-sample, where results from the literature were reproduced with strongly decreased measuring time. Due to the high intensity it becomes possible, to

  3. 15N Photo-CIDNP MAS NMR To Reveal Functional Heterogeneity in Electron Donor of Different Plant Organisms

    OpenAIRE

    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...

  4. Spectral editing of weakly coupled spins using variable flip angles in PRESS constant echo time difference spectroscopy: Application to GABA

    Science.gov (United States)

    Snyder, Jeff; Hanstock, Chris C.; Wilman, Alan H.

    2009-10-01

    A general in vivo magnetic resonance spectroscopy editing technique is presented to detect weakly coupled spin systems through subtraction, while preserving singlets through addition, and is applied to the specific brain metabolite γ-aminobutyric acid (GABA) at 4.7 T. The new method uses double spin echo localization (PRESS) and is based on a constant echo time difference spectroscopy approach employing subtraction of two asymmetric echo timings, which is normally only applicable to strongly coupled spin systems. By utilizing flip angle reduction of one of the two refocusing pulses in the PRESS sequence, we demonstrate that this difference method may be extended to weakly coupled systems, thereby providing a very simple yet effective editing process. The difference method is first illustrated analytically using a simple two spin weakly coupled spin system. The technique was then demonstrated for the 3.01 ppm resonance of GABA, which is obscured by the strong singlet peak of creatine in vivo. Full numerical simulations, as well as phantom and in vivo experiments were performed. The difference method used two asymmetric PRESS timings with a constant total echo time of 131 ms and a reduced 120° final pulse, providing 25% GABA yield upon subtraction compared to two short echo standard PRESS experiments. Phantom and in vivo results from human brain demonstrate efficacy of this method in agreement with numerical simulations.

  5. High-resolution three-dimensional spin- and angle-resolved photoelectron spectrometer using vacuum ultraviolet laser light

    Science.gov (United States)

    Yaji, Koichiro; Harasawa, Ayumi; Kuroda, Kenta; Toyohisa, Sogen; Nakayama, Mitsuhiro; Ishida, Yukiaki; Fukushima, Akiko; Watanabe, Shuntaro; Chen, Chuangtian; Komori, Fumio; Shin, Shik

    2016-05-01

    We describe a spin- and angle-resolved photoelectron spectroscopy (SARPES) apparatus with a vacuum-ultraviolet (VUV) laser (hν = 6.994 eV) developed at the Laser and Synchrotron Research Center at the Institute for Solid State Physics, The University of Tokyo. The spectrometer consists of a hemispherical photoelectron analyzer equipped with an electron deflector function and twin very-low-energy-electron-diffraction-type spin detectors, which allows us to analyze the spin vector of a photoelectron three-dimensionally with both high energy and angular resolutions. The combination of the high-performance spectrometer and the high-photon-flux VUV laser can achieve an energy resolution of 1.7 meV for SARPES. We demonstrate that the present laser-SARPES machine realizes a quick SARPES on the spin-split band structure of a Bi(111) film even with 7 meV energy and 0.7∘ angular resolutions along the entrance-slit direction. This laser-SARPES machine is applicable to the investigation of spin-dependent electronic states on an energy scale of a few meV.

  6. Application of Multivariete Analysis on High-Resolution Magic Angle Spinning (HR-MAS) 1H NMR Spectra of Rabbit Cornea

    Czech Academy of Sciences Publication Activity Database

    Tessem, M. B.; Bathen, T. F.; Čejková, Jitka; Midelfart, A.

    Basel: Karger, 2004. s. 67. ISSN 0030-3747. [EVER 2004 (European Association for Vision and Eye Research). 24.09.2004-27.09.2004, Vilamoura] R&D Projects: GA ČR GA304/03/0419 Keywords : rabbit cornea Subject RIV: FF - HEENT, Dentistry

  7. Nanosatellites for Earth Environmental Monitoring: The MicroMAS Project

    OpenAIRE

    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. Multiple-quantum magic-angle spinning: high-resolution solid state NMR spectroscopy of half-integer quadrupolar nuclei

    International Nuclear Information System (INIS)

    Experimental and theoretical aspects of the multiple-quantum magic-angle spinning experiment (MQMAS) are discussed in this review. The significance of this experiment, introduced by Frydman and Harwood, is in its ability to provide high-resolution NMR spectra of half-integer quadrupolar nuclei (I /geq 3/2). This technique has proved to be useful in various systems ranging from inorganic materials to biological samples. This review addresses the development of various pulse schemes aimed at improving the signal-to-noise ratio and anisotropic lineshapes. Representative spectra are shown to underscore the importance and applications of the MQMAS experiment. Refs. 97 (author)

  9. Metabolic mapping by use of high-resolution magic angle spinning1H MR spectroscopy for assessment of apoptosis in cervical carcinomas

    OpenAIRE

    Sundfør Kolbein; Jensen Line R; Bathen Tone F; Sitter Beathe; Lyng Heidi; Kristensen Gunnar B; Gribbestad Ingrid S

    2007-01-01

    Background High-resolution magic angle proton magnetic resonance spectroscopy (HR1H MAS MRS) provides a broad metabolic mapping of intact tumor samples and allows for microscopy investigations of the samples after spectra acquisition. Experimental studies have suggested that the method can be used for detection of apoptosis, but this has not been investigated in a clinical setting so far. We have explored this hypothesis in cervical cancers by searching for metabolites asso...

  10. Gel synthesis of magnesium silicates: A 29Si magic angle spinning NMR study

    Science.gov (United States)

    Hartman, J. Stephen; Millard, Roberta L.

    1990-01-01

    The formation of the magnesium silicate minerals forsterite, enstatite, and roedderite by heating of amorphous “protosilicate” gels precipitated from aqueous solution has been studied by 29Si MAS nmr. Gentle drying of the hydrogels at 110° C gives materials with broad nmr signals that do not differ appreciably with preparation conditions, but the minerals formed by heating at 750° C or higher are greatly dependent on the precipitation and washing conditions of the original gel. The rare mineral roedderite, best known from studies of unequilibrated enstatite chondrite meteorites, becomes a major species along with forsterite when the hydrogels are washed with sodium hydroxide solution before drying and heating to 750° C.

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

    DEFF Research Database (Denmark)

    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....

  12. Protein residue linking in a single spectrum for magic-angle spinning NMR assignment

    International Nuclear Information System (INIS)

    Here we introduce a new pulse sequence for resonance assignment that halves the number of data sets required for sequential linking by directly correlating sequential amide resonances in a single diagonal-free spectrum. The method is demonstrated with both microcrystalline and sedimented deuterated proteins spinning at 60 and 111 kHz, and a fully protonated microcrystalline protein spinning at 111 kHz, with as little as 0.5 mg protein sample. We find that amide signals have a low chance of ambiguous linkage, which is further improved by linking in both forward and backward directions. The spectra obtained are amenable to automated resonance assignment using general-purpose software such as UNIO-MATCH

  13. An HR-MAS MR metabolomics study on breast tissues obtained with core needle biopsy.

    Directory of Open Access Journals (Sweden)

    MuLan Li

    Full Text Available 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-cancer obtained by percutaneous core needle biopsy. We showed that cancer and non-cancer samples can be discriminated very well with Orthogonal Projections to Latent Structure-Discriminant Analysis (OPLS-DA multivariate model on the MR spectra. A subsequent blind test showed 69% sensitivity and 94% specificity in the prediction of the cancer status. A spectral analysis showed that in cancer cells, taurine- and choline-containing compounds are elevated. Our approach, additionally, could predict the progesterone receptor statuses of the cancer patients. CONCLUSIONS/SIGNIFICANCE: HR-MAS MR metabolomics on intact breast tissues obtained by core needle biopsy may have a potential to be used as a complement to the current diagnostic and prognostic measures for breast cancers.

  14. Porosity of silica Stöber particles determined by spin-echo small angle neutron scattering.

    Science.gov (United States)

    Parnell, S R; Washington, A L; Parnell, A J; Walsh, A; Dalgliesh, R M; Li, F; Hamilton, W A; Prevost, S; Fairclough, J P A; Pynn, R

    2016-05-25

    Stöber silica particles are used in a diverse range of applications. Despite their widespread industrial and scientific uses, information on the internal structure of the particles is non-trivial to obtain and is not often reported. In this work we have used spin-echo small angle neutron scattering (SESANS) in conjunction with ultra small angle X-ray scattering (USAXS) and pycnometry to study an aqueous dispersion of Stöber particles. Our results are in agreement with models which propose that Stöber particles have a porous core, with a significant fraction of the pores inaccessible to solvent. For samples prepared from the same master sample in a range of H2O : D2O ratio solutions we were able to model the SESANS results for the solution series assuming monodisperse, smooth surfaced spheres of radius 83 nm with an internal open pore volume fraction of 32% and a closed pore fraction of 10%. Our results are consistent with USAXS measurements. The protocol developed and discussed here shows that the SESANS technique is a powerful way to investigate particles much larger than those studied using conventional small angle scattering methods. PMID:27021920

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

    OpenAIRE

    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. Quantification of Choline- and Ethanolamine-Containing Metabolites in Human Prostate Tissues Using 1H HR-MAS Total Correlation Spectroscopy

    OpenAIRE

    Swanson, Mark G.; Keshari, Kayvan R.; Tabatabai, Z. Laura; Simko, Jeffry P.; Shinohara, Katsuto; Carroll, Peter R.; Zektzer, Andrew S.; Kurhanewicz, John

    2008-01-01

    A fast and quantitative 2D high-resolution magic angle spinning (HR-MAS) total correlation spectroscopy (TOCSY) experiment was developed to resolve and quantify the choline- and ethanolamine-containing metabolites in human prostate tissues in ≈1 hr prior to pathologic analysis. At a 40-ms mixing time, magnetization transfer efficiency constants were empirically determined in solution and used to calculate metabolite concentrations in tissue. Phosphocholine (PC) was observed in 11/15 (73%) can...

  17. Transverse Beam Spin Asymmetries in Forward-Angle Elastic Electron-Proton Scattering

    CERN Document Server

    Armstrong, D S; Asaturyan, R; Averett, T; Bailey, S L; Batigne, G; Beck, D H; Beise, E J; Benesch, J; Bimbot, L; Birchall, J; Biselli, A; Bosted, P; Boukobza, E; Breuer, H; Carlini, R; Carr, R; Chant, N; Chao, Y C; Chattopadhyay, S; Clark, R; Covrig, S; Cowley, A; Dale, D; Davis, C; Falk, W; Finn, J M; Forest, T; Franklin, G; Furget, C; Gaskell, D; Grames, J; Griffioen, K A; Grimm, K; Guillon, B; Guler, H; Hannelius, L; Hasty, R; Hawthorne Allen, A; Horn, T; Johnston, K; Jones, M; Kammel, P; Kazimi, R; King, P M; Kolarkar, A; Korkmaz, E; Korsch, W; Kox, S; Kühn, J; Lachniet, J; Lee, L; Lenoble, J; Liatard, E; Liu, J; Loupias, B; Lung, A; Marchand, D; Martin, J W; McFarlane, K W; McKee, D W; McKeown, R D; Merchez, F; Mkrtchyan, H; Moffit, B; Morlet, M; Nakagawa, I; Nakahara, K; Neveling, R; Niccolai, S; Ong, S; Page, S; Papavassiliou, V; Pate, S F; Phillips, S K; Pitt, M L; Poelker, M; Porcelli, T A; Quéméner, G; Quinn, B; Ramsay, W D; Rauf, A W; Real, J S; Roche, J; Roos, P; Rutledge, G A; Secrest, J; Simicevic, N; Smith, G R; Spayde, D T; Stepanyan, S; Stutzman, M; Sulkosky, V; Tadevosyan, V; Tieulent, R; Van de Wiele, J; Van Oers, W T H; Voutier, E; Vulcan, W; Warren, G; Wells, S P; Williamson, S E; Wood, S A; Yan, C; Yun, J; Zeps, V

    2007-01-01

    We have measured the beam-normal single-spin asymmetry in elastic scattering of transversely-polarized 3 GeV electrons from unpolarized protons at Q^2 values of 0.15 and 0.25 (GeV/c)^2 with results of A_n = -4.06 +- 0.99 (stat) +- 0.63 (syst) and A_n = -4.82 +- 1.87 (stat) +- 0.98 (syst) ppm. These results are inconsistent with calculations solely using the elastic nucleon intermediate state, and generally agree with calculations with significant inelastic hadronic intermediate state contributions. A_n provides a direct probe of the imaginary component of the 2-gamma exchange amplitude, the complete description of which is important in the interpretation of data from precision electron-scattering experiments.

  18. Transverse Beam Spin Asymmetries in Forward-Angle Elastic Electron-Proton Scattering

    Energy Technology Data Exchange (ETDEWEB)

    David Armstrong; Francois Arvieux; Razmik Asaturyan; Todd Averett; Stephanie Bailey; Guillaume Batigne; Douglas Beck; Elizabeth Beise; Jay Benesch; Louis Bimbot; James Birchall; Angela Biselli; Peter Bosted; Elodie Boukobza; Herbert Breuer; Roger Carlini; Robert Carr; Nicholas Chant; Yu-Chiu Chao; Swapan Chattopadhyay; Russell Clark; Silviu Covrig; Anthony Cowley; Daniel Dale; Charles Davis; Willie Falk; John Finn; Tony Forest; Gregg Franklin; Christophe Furget; David Gaskell; Joseph Grames; Keith Griffioen; Klaus Grimm; Benoit Guillon; Hayko Guler; Lars Hannelius; Richard HASTY; Alice Hawthorne Allen; Tanja Horn; Kathleen Johnston; Mark Jones; Peter Kammel; Reza Kazimi; Paul King; Ameya Kolarkar; Elie Korkmaz; Wolfgang Korsch; Serge Kox; Joachim Kuhn; Jeff Lachniet; Lawrence Lee; Jason Lenoble; Eric Liatard; Jianglai Liu; Berenice Loupias; Allison Lung; Dominique Marchand; Jeffery Martin; Kenneth McFarlane; David McKee; Robert McKeown; Fernand Merchez; Hamlet Mkrtchyan; Bryan Moffit; M. Morlet; Itaru Nakagawa; Kazutaka Nakahara; Retief Neveling; Silvia Niccolai; S. Ong; Shelley Page; Vassilios Papavassiliou; Stephen Pate; Sarah Phillips; Mark Pitt; Benard Poelker; Tracy Porcelli; Gilles Quemener; Brian Quinn; William Ramsay; Aamer Rauf; Jean-Sebastien Real; Julie Roche; Philip Roos; Gary Rutledge; Jeffery Secrest; Neven Simicevic; Gregory Smith; Damon Spayde; Samuel Stepanyan; Marcy Stutzman; Vince Sulkosky; Vincent Sulkosky; Vince Sulkosky; Vincent Sulkosky; Vardan Tadevosyan; Raphael Tieulent; Jacques Van de Wiele; Willem van Oers; Eric Voutier; William Vulcan; Glen Warren; Steven Wells; Steven Williamson; Stephen Wood; Chen Yan; Junho Yun; Valdis Zeps

    2007-08-01

    We have measured the beam-normal single-spin asymmetry in elastic scattering of transversely-polarized 3 GeV electrons from unpolarized protons at Q^2 values of 0.15 and 0.25 (GeV/c)^2 with results of A_n = -4.06 +- 0.99(stat) +- 0.63(syst) and A_n = -4.82 +- 1.87(stat) +- 0.98(syst) ppm. These results are inconsistent with calculations solely using the elastic nucleon intermediate state, and generally agree with calculations with significant inelastic hadronic intermediate state contributions. A_n provides a direct probe of the imaginary component of the two-photon exchange amplitude, the complete description of which is important in the interpretation of data from precision electron-scattering experiments.

  19. Mesostructure anisotropy of bacterial cellulose-polyacrylamide hydrogels as studied by spin-echo small-angle neutron scattering

    CERN Document Server

    Velichko, E V; Chetverikov, Yu O; Duif, C P; Bouwman, W G; Smyslov, R Yu

    2016-01-01

    The submicron- and micron-scale structures of composite hydrogels based on bacterial cellulose (BC) and polyacrylamide were studied by spin-echo small-angle neutron scattering (SESANS). These hydrogels were synthesized via free-radical polymerization of acrylamide carried out in pellicle of BC swollen in the reaction solution. No neutron scattering was observed for the samples swollen in heavy water to the equilibrium state, but a SESANS signal appeared when TbCl$_{3}$ salt was added to the solvent. The SESANS dependences obtained for these samples revealed the anisotropy of mesostructure for the hydrogels under investigation. Density inhomogeneities on the characteristic scale of 11.5 $\\pm$ 0.5 $\\mu$m were detected in one specific orientation of the sample, i.e. with growth plane of BC parallel to plane formed by neutron beam and spin-echo length. The uniaxial anisotropy revealed agrees with the proposed model, which attributes this behavior to the existence of the tunnel-like oriented structures inside BC.

  20. Magic angle spinning carbon-13 NMR of tobacco mosaic virus. An application of the high-resolution solid-state NMR spectroscopy to very large biological systems.

    OpenAIRE

    Hemminga, M A; Veeman, W.S.; Hilhorst, H.W.M.; Schaafsma, T J

    1981-01-01

    Magic angle spinning 13C NMR was used to study tobacco mosaic virus (TMV) in solution. Well-resolved 13C NMR spectra were obtained, in which several carbon resonances of amino acids of the TMV coat protein subunits that are not observable by conventional high-resolution NMR spectroscopy can be designed. RNA resonance were absent, however, in the magic angle spinning 13C NMR spectra. Since three different binding sites are available for each nucleotide of the RNA, this is probably due to a lin...

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

    Science.gov (United States)

    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

  2. Nano-Mole Scale Side-Chain Signal Assignment by 1H-Detected Protein Solid-State NMR by Ultra-Fast Magic-Angle Spinning and Stereo-Array Isotope Labeling

    KAUST Repository

    Wang, Songlin

    2015-04-09

    We present a general approach in 1H-detected 13C solid-state NMR (SSNMR) for side-chain signal assignments of 10-50 nmol quantities of proteins using a combination of a high magnetic field, ultra-fast magic-angle spinning (MAS) at ~80 kHz, and stereo-array-isotope-labeled (SAIL) proteins [Kainosho M. et al., Nature 440, 52–57, 2006]. First, we demonstrate that 1H indirect detection improves the sensitivity and resolution of 13C SSNMR of SAIL proteins for side-chain assignments in the ultra-fast MAS condition. 1H-detected SSNMR was performed for micro-crystalline ubiquitin (~55 nmol or ~0.5mg) that was SAIL-labeled at seven isoleucine (Ile) residues. Sensitivity was dramatically improved by 1H-detected 2D 1H/13C SSNMR by factors of 5.4-9.7 and 2.1-5.0, respectively, over 13C-detected 2D 1H/13C SSNMR and 1D 13C CPMAS, demonstrating that 2D 1H-detected SSNMR offers not only additional resolution but also sensitivity advantage over 1D 13C detection for the first time. High 1H resolution for the SAIL-labeled side-chain residues offered reasonable resolution even in the 2D data. A 1H-detected 3D 13C/13C/1H experiment on SAIL-ubiquitin provided nearly complete 1H and 13C assignments for seven Ile residues only within ~2.5 h. The results demonstrate the feasibility of side-chain signal assignment in this approach for as little as 10 nmol of a protein sample within ~3 days. The approach is likely applicable to a variety of proteins of biological interest without any requirements of highly efficient protein expression systems.

  3. Beam Normal Single Spin Asymmetry in Forward Angle Inelastic Electron-Proton Scattering using the Q-Weak Apparatus

    Energy Technology Data Exchange (ETDEWEB)

    ., Nuruzzaman [Hampton Univ., Hampton, VA (United States)

    2014-12-01

    The Q-weak experiment in Hall-C at the Thomas Jefferson National Accelerator Facility has made the first direct measurement of the weak charge of the proton through the precision measurement of the parity-violating asymmetry in elastic electron-proton scattering at low momentum transfer. There is also a parity conserving Beam Normal Single Spin Asymmetry or transverse asymmetry (B_n) on H_2 with a sin(phi)-like dependence due to two-photon exchange. If the size of elastic B_n is a few ppm, then a few percent residual transverse polarization in the beam, combined with small broken azimuthal symmetries in the detector, would require a few ppb correction to the Q-weak data. As part of a program of B_n background studies, we made the first measurement of B_n in the N-to-Delta(1232) transition using the Q-weak apparatus. The final transverse asymmetry, corrected for backgrounds and beam polarization, was found to be B_n = 42.82 ± 2.45 (stat) ± 16.07 (sys) ppm at beam energy E_beam = 1.155 GeV, scattering angle theta = 8.3 deg, and missing mass W = 1.2 GeV. B_n from electron-nucleon scattering is a unique tool to study the gamma^* Delta Delta form factors, and this measurement will help to improve the theoretical models on beam normal single spin asymmetry and thereby our understanding of the doubly virtual Compton scattering process. To help correct false asymmetries from beam noise, a beam modulation system was implemented to induce small position, angle, and energy changes at the target to characterize detector response to the beam jitter. Two air-core dipoles separated by ~10 m were pulsed at a time to produce position and angle changes at the target, for virtually any tune of the beamline. The beam energy was modulated using an SRF cavity. The hardware and associated control instrumentation will be described in this dissertation. Preliminary detector sensitivities were extracted which helped to reduce the width of the measured asymmetry. The beam modulation system

  4. 1H MAS NMR spectra of hy- droxyl species on diatomite surface

    Institute of Scientific and Technical Information of China (English)

    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.

  5. Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Guangjin, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu; Lu, Xingyu, E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Vega, Alexander J., E-mail: luxingyu@udel.edu, E-mail: lexvega@comcast.net; Polenova, Tatyana, E-mail: hou@udel.edu, E-mail: tpolenov@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA and Pittsburgh Center for HIV Protein Interactions, University of Pittsburgh School of Medicine, 1051 Biomedical Science Tower 3, 3501 Fifth Ave., Pittsburgh, Pennsylvania 15261 (United States)

    2014-09-14

    We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.

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

    Institute of Scientific and Technical Information of China (English)

    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. On turbulence driven by axial precession and tidal evolution of the spin-orbit angle of close-in giant planets

    Science.gov (United States)

    Barker, Adrian J.

    2016-08-01

    The spin axis of a rotationally deformed planet is forced to precess about its orbital angular momentum vector, due to the tidal gravity of its host star, if these directions are misaligned. This induces internal fluid motions inside the planet that are subject to a hydrodynamic instability. We study the turbulent damping of precessional fluid motions, as a result of this instability, in the simplest local computational model of a giant planet (or star), with and without a weak internal magnetic field. Our aim is to determine the outcome of this instability, and its importance in driving tidal evolution of the spin-orbit angle in precessing planets (and stars). We find that this instability produces turbulent dissipation that is sufficiently strong that it could drive significant tidal evolution of the spin-orbit angle for hot Jupiters with orbital periods shorter than about 10-18 d. If this mechanism acts in isolation, this evolution would be towards alignment or anti-alignment, depending on the initial angle, but the ultimate evolution (if other tidal mechanisms also contribute) is expected to be towards alignment. The turbulent dissipation is proportional to the cube of the precession frequency, so it leads to much slower damping of stellar spin-orbit angles, implying that this instability is unlikely to drive evolution of the spin-orbit angle in stars (either in planetary or close binary systems). We also find that the instability-driven flow can act as a system-scale dynamo, which may play a role in producing magnetic fields in short-period planets.

  8. On turbulence driven by axial precession and tidal evolution of the spin-orbit angle of close-in giant planets

    Science.gov (United States)

    Barker, Adrian J.

    2016-08-01

    The spin axis of a rotationally deformed planet is forced to precess about its orbital angular momentum vector, due to the tidal gravity of its host star, if these directions are misaligned. This induces internal fluid motions inside the planet that are subject to a hydrodynamic instability. We study the turbulent damping of precessional fluid motions, as a result of this instability, in the simplest local computational model of a giant planet (or star), with and without a weak internal magnetic field. Our aim is to determine the outcome of this instability, and its importance in driving tidal evolution of the spin-orbit angle in precessing planets (and stars). We find that this instability produces turbulent dissipation that is sufficiently strong that it could drive significant tidal evolution of the spin-orbit angle for hot Jupiters with orbital periods shorter than about 10-18 days. If this mechanism acts in isolation, this evolution would be towards alignment or anti-alignment, depending on the initial angle, but the ultimate evolution (if other tidal mechanisms also contribute) is expected to be towards alignment. The turbulent dissipation is proportional to the cube of the precession frequency, so it leads to much slower damping of stellar spin-orbit angles, implying that this instability is unlikely to drive evolution of the spin-orbit angle in stars (either in planetary or close binary systems). We also find that the instability-driven flow can act as a system-scale dynamo, which may play a role in producing magnetic fields in short-period planets.

  9. The local physical structure of amorphous hydrogenated boron carbide: insights from magic angle spinning solid-state NMR spectroscopy.

    Science.gov (United States)

    Paquette, Michelle M; Li, Wenjing; Sky Driver, M; Karki, Sudarshan; Caruso, A N; Oyler, Nathan A

    2011-11-01

    Magic angle spinning solid-state nuclear magnetic resonance spectroscopy techniques are applied to the elucidation of the local physical structure of an intermediate product in the plasma-enhanced chemical vapour deposition of thin-film amorphous hydrogenated boron carbide (B(x)C:H(y)) from an orthocarborane precursor. Experimental chemical shifts are compared with theoretical shift predictions from ab initio calculations of model molecular compounds to assign atomic chemical environments, while Lee-Goldburg cross-polarization and heteronuclear recoupling experiments are used to confirm atomic connectivities. A model for the B(x)C:H(y) intermediate is proposed wherein the solid is dominated by predominantly hydrogenated carborane icosahedra that are lightly cross-linked via nonhydrogenated intraicosahedral B atoms, either directly through B-B bonds or through extraicosahedral hydrocarbon chains. While there is no clear evidence for extraicosahedral B aside from boron oxides, ∼40% of the C is found to exist as extraicosahedral hydrocarbon species that are intimately bound within the icosahedral network rather than in segregated phases. PMID:21959982

  10. The local physical structure of amorphous hydrogenated boron carbide: insights from magic angle spinning solid-state NMR spectroscopy

    International Nuclear Information System (INIS)

    Magic angle spinning solid-state nuclear magnetic resonance spectroscopy techniques are applied to the elucidation of the local physical structure of an intermediate product in the plasma-enhanced chemical vapour deposition of thin-film amorphous hydrogenated boron carbide (BxC:Hy) from an orthocarborane precursor. Experimental chemical shifts are compared with theoretical shift predictions from ab initio calculations of model molecular compounds to assign atomic chemical environments, while Lee-Goldburg cross-polarization and heteronuclear recoupling experiments are used to confirm atomic connectivities. A model for the BxC:Hy intermediate is proposed wherein the solid is dominated by predominantly hydrogenated carborane icosahedra that are lightly cross-linked via nonhydrogenated intraicosahedral B atoms, either directly through B-B bonds or through extraicosahedral hydrocarbon chains. While there is no clear evidence for extraicosahedral B aside from boron oxides, ∼40% of the C is found to exist as extraicosahedral hydrocarbon species that are intimately bound within the icosahedral network rather than in segregated phases. (paper)

  11. The local physical structure of amorphous hydrogenated boron carbide: insights from magic angle spinning solid-state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Paquette, Michelle M; Sky Driver, M; Karki, Sudarshan; Caruso, A N [Department of Physics, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Li Wenjing; Oyler, Nathan A, E-mail: oylern@umkc.edu [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)

    2011-11-02

    Magic angle spinning solid-state nuclear magnetic resonance spectroscopy techniques are applied to the elucidation of the local physical structure of an intermediate product in the plasma-enhanced chemical vapour deposition of thin-film amorphous hydrogenated boron carbide (B{sub x}C:H{sub y}) from an orthocarborane precursor. Experimental chemical shifts are compared with theoretical shift predictions from ab initio calculations of model molecular compounds to assign atomic chemical environments, while Lee-Goldburg cross-polarization and heteronuclear recoupling experiments are used to confirm atomic connectivities. A model for the B{sub x}C:H{sub y} intermediate is proposed wherein the solid is dominated by predominantly hydrogenated carborane icosahedra that are lightly cross-linked via nonhydrogenated intraicosahedral B atoms, either directly through B-B bonds or through extraicosahedral hydrocarbon chains. While there is no clear evidence for extraicosahedral B aside from boron oxides, {approx}40% of the C is found to exist as extraicosahedral hydrocarbon species that are intimately bound within the icosahedral network rather than in segregated phases. (paper)

  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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-08-15

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

  13. E/Z MAS demonstration

    International Nuclear Information System (INIS)

    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

  14. Frozen concentration fluctuations in a poly(N-isopropyl acrylamide) gel studied by neutron spin echo and small-angle neutron scattering

    International Nuclear Information System (INIS)

    By employing neutron spin echo and small-angle neutron scattering, we determined the structure factor of the frozen concentration fluctuations on nano-length scales in a swollen poly(N-isopropyl acrylamide) gel. The frozen contribution, showing a plateau at the low scattering wavenumber q (-1) and a rapid decrease close to q-4 at high q (>0.02 A-1), is intimately related to the abnormal butterfly scattering pattern appearing at low q under deformation. (orig.)

  15. Low flip-angle spin-echo imaging of the liver; Basic study and its application to hepatic space-occupying lesions

    Energy Technology Data Exchange (ETDEWEB)

    Yasui, Kiyoshi; Sugimura, Kazuro (Shimane Medical Univ., Izumo (Japan))

    1991-09-01

    Dependence on T{sub 1} contrast can be reduced by changing the excitation flip angle. Low flip-angle spin-echo imaging can reduce imaging time because repetition time (TR) is reduced. The authors assessed the efficacy of low flip-angle spin-echo images in phantoms and in the liver. MR phantoms made from polyvinyl alcohol gel to model the properties of the normal liver, hepatocellular carcinoma (HCC), and hemangioma were scanned with various flip angles of TR 2400 and 1200 msec. Measured signal intensities fitted well with theoretical values. The T{sub 1} contrast of signal intensity decreased as the flip angle was reduced, accompanied by a decrease in signal-to-noise ratio (S/N). Thirty patients with hepatic space-occupying lesions (23 with HCC, 3 with metastases and 4 with hemangioma) were studied by conventional SE (CSE) at 2400/60/2 (TR/TE/NEX(number of excitations))(10 min 46 sec imaging time) and low flip-angle SE (LFSE) at 1200/60/30deg/2 (TR/TE/FA/NEX)(5:20) and/or 1200/60/30deg/4 (10:18). The sensitivity of CSE in detecting lesions was 93%. It was 92% for LFSE with two NEX and 94% for LFSE with four NEX pulse sequences. The contrast-to-noise ratio (C/N) for images (HCC/liver, hemangioma/liver) obtained by LFSE with four NEX was significantly higher than for those obtained by CSE. Although the C/N (lesion/liver) for LFSE with two NEX sequences was lower than that of CSE for any type of lesion (3.0 vs 3.5 for HCC; 5.1 vs 6.3 for metastases; 8.3 vs 9.7 for hemangioma), the difference was not significant. Although reducing the flip angle from 90deg to 30deg with two NEX resulted in a decrease in S/N (10.7 to 8.9 for HCC; 15.3 to 11.9 for metastases; 20.0 to 18.1 for hemangioma; 7.4 to 6.3 for normal liver; 10.7 to 10.1 for spleen), the difference was not significant. For hepatic space-occupying lesions, low flip-angle spin-echo imaging is useful to obtain T{sub 2}-weighted images in a shorter imaging time without sacrificing lesion detectability. (author).

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

    Directory of Open Access Journals (Sweden)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    International Nuclear Information System (INIS)

    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

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

    International Nuclear Information System (INIS)

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Directory of Open Access Journals (Sweden)

    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.

    Science.gov (United States)

    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

    Science.gov (United States)

    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. On turbulence driven by axial precession and tidal evolution of the spin-orbit angle of close-in giant planets

    CERN Document Server

    Barker, Adrian J

    2016-01-01

    The spin axis of a rotationally deformed planet is forced to precess about its orbital angular momentum vector, due to the tidal gravity of its host star, if these directions are misaligned. This induces internal fluid motions inside the planet that are subject to a hydrodynamic instability. We study the turbulent damping of precessional fluid motions, as a result of this instability, in the simplest local computational model of a giant planet (or star), with and without a weak internal magnetic field. Our aim is to determine the outcome of this instability, and its importance in driving tidal evolution of the spin-orbit angle in precessing planets (and stars). We find that this instability produces turbulent dissipation that is sufficiently strong that it could drive significant tidal evolution of the spin-orbit angle for hot Jupiters with orbital periods shorter than about 10-18 days. If this mechanism acts in isolation, this evolution would be towards alignment or anti-alignment, depending on the initial a...

  5. Canonical Angles In A Compact Binary Star System With Spinning Components: Approximative Solution Through Next-To-Leading-Order Spin-Orbit Interaction for Circular Orbits

    CERN Document Server

    Tessmer, Manuel; Schäfer, Gerhard

    2013-01-01

    This publication will deal with an explicit determination of the time evolution of the spin orientation axes and the evolution of the orbital phase in the case of circular orbits under next-to-leading order spin-orbit interactions. We modify the method of Schneider and Cui proposed in ["Theoreme \\"uber Bewegungsintegrale und ihre Anwendungen in Bahntheorien", Verlag der Bayerischen Akademie der Wissenschaften, volume 212, 2005.] to iteratively remove oscillatory terms in the equations of motion for different masses that were not present in the case of equal masses. Our smallness parameter is chosen to be the difference of the symmetric mass ratio to the value 1/4. Before the first Lie transformation, the set of conserved quantities consists of the total angular momentum, the amplitudes of the orbital angular momentum and of the spins, $L, S_1,$ and $S_2$. In contrary, the magnitude of the total spin $S=|S_1+S_2|$ is not conserved and we wish to shift its non-conservation to higher orders of the smallness para...

  6. High-speed magic angle spinning solid-state 1H nuclear magnetic resonance study of the conformation of gramicidin A in lipid bilayers.

    OpenAIRE

    Bouchard, M.; Davis, J H; Auger, M.

    1995-01-01

    One- and two-dimensional solid-state 1H nuclear magnetic resonance spectra of gramicidin A incorporated in a dimyristoylphosphatidylcholine membrane have been obtained with use of high-speed magic angle spinning. By rotating the sample at 13 kHz, it is possible to observe signals in the 1H spectra between 6.0 and 9.0 ppm attributable to the aromatic protons of the tryptophan residues and the formyl group proton of gramicidin A. Two-dimensional solid-state COSY spectra provided information for...

  7. Measurement of the weak mixing angle and the spin of the gluon from angular distributions in the reaction pp→ Z/γ*+X→μ+μ-+X with ATLAS

    International Nuclear Information System (INIS)

    The measurement of the effective weak mixing angle with the ATLAS experiment at the LHC is presented. It is extracted from the forward-backward asymmetry in the polar angle distribution of the muons originating from Z boson decays in the reaction pp→Z/γ*+X→ μ+μ-+X. In total 4.7 fb-1 of proton-proton collisions at √(s)=7 TeV are analysed. In addition, the full polar and azimuthal angular distributions are measured as a function of the transverse momentum of the Z/γ* system and are compared to several simulations as well as recent results obtained in p anti p collisions. Finally, the angular distributions are used to confirm the spin of the gluon using the Lam-Tung relation.

  8. How to Measure the Black Hole's Mass, Spin Parameter and Inclination Angle in Kerr Lens Effect 1: Principle and Formalism

    CERN Document Server

    Saida, Hiromi

    2016-01-01

    We propose the principle of measuring the Kerr BH's mass, spin parameter and the direction of the spin axis through observing two quantities of the spinning strong gravitational lens effect of the BH. Those observable quantities are generated by two rays emitted at the same time by a source near the BH; the primary and secondary rays which reach a distant observer, respectively, earliest and secondary temporally. The time delay between detection times and the ratio of observed specific fluxes of those rays are the observable quantities. Our numerical estimations imply a good detectability of those observable quantities by the present or near future telescope capability, and our proposal may be realizable in the near future. Also, the details of formulas for calculating the observable quantities are explained so that readers having interest in this paper can check our proposal quantitatively.

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

    OpenAIRE

    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...

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

    Science.gov (United States)

    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.

  11. Studies of 29Si spin-lattice relaxation times and paramagnetic impurities in clay minerals by magic-angle spinning 29Si-NMR and EPR

    International Nuclear Information System (INIS)

    High-resolution solid state 29Si-NMR spectra and EPR spectra have been examined on twelve natural philosilicates. It has been found that presence of paramagnetic impurities is markedly effective in shortening the 29Si spin-lattice relaxation times (10 to 1000 ms), and in broadening the linewidths and is favorable for the use of solid state high-resolution 29Si NMR as a tool for structural studies of inorganic materials. (author)

  12. Proton-detected 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H-1H RFDR mixing on a natural abundant sample under ultrafast MAS

    Science.gov (United States)

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    In this contribution, we have demonstrated a proton detection-based approach on a natural abundant powdered L-Histidine HCl-H2O sample at ultrafast magic angle spinning (MAS) to accomplish 14N/14N correlation from a 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H finite-pulse radio frequency-driven recoupling (fp-RFDR). Herein the heteronuclear magnetization transfer between 14N and 1H has been achieved by HMQC experiment, whereas 14N/14N correlation is attained through enhanced 1H-1H spin diffusion process due to 1H-1H dipolar recoupling during the RFDR mixing. While the use of ultrafast MAS (90 kHz) provides sensitivity enhancement through increased 1H transverse relaxation time (T2), the use of micro-coil probe which can withstand strong 14N radio frequency (RF) fields further improves the sensitivity per unit sample volume.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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

  15. Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods

    Energy Technology Data Exchange (ETDEWEB)

    Penzel, Susanne; Smith, Albert A.; Agarwal, Vipin; Hunkeler, Andreas [ETH Zürich, Physical Chemistry (Switzerland); Org, Mai-Liis; Samoson, Ago, E-mail: ago.samoson@ttu.ee [Tallinn University of Technology, NMR Instituut, Tartu Teadus, Tehnomeedikum (Estonia); Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [UMR 5086 CNRS/Université de Lyon 1, Institut de Biologie et Chimie des Protéines (France); Ernst, Matthias, E-mail: maer@ethz.ch; Meier, Beat H., E-mail: beme@ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

    2015-10-15

    We discuss the optimum experimental conditions to obtain assignment spectra for solid proteins at magic-angle spinning (MAS) frequencies around 100 kHz. We present a systematic examination of the MAS dependence of the amide proton T{sub 2}′ times and a site-specific comparison of T{sub 2}′ at 93 kHz versus 60 kHz MAS frequency. A quantitative analysis of transfer efficiencies of building blocks, as they are used for typical 3D experiments, was performed. To do this, we compared dipolar-coupling and J-coupling based transfer steps. The building blocks were then combined into 3D experiments for sequential resonance assignment, where we evaluated signal-to-noise ratio and information content of the different 3D spectra in order to identify the best assignment strategy. Based on this comparison, six experiments were selected to optimally assign the model protein ubiquitin, solely using spectra acquired at 93 kHz MAS. Within 3 days of instrument time, the required spectra were recorded from which the backbone resonances have been assigned to over 96 %.

  16. 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

    OpenAIRE

    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...

  17. Multiple Acquisition of Magic Angle Spinning Solid-State NMR Experiments Using One Receiver: Application to Microcrystalline and Membrane Protein Preparations

    Science.gov (United States)

    Gopinath, T.; Veglia, Gianluigi

    2015-01-01

    Solid-State NMR spectroscopy of proteins is a notoriously low-throughput technique. Relatively low-sensitivity and poor resolution of protein samples require long acquisition times for multidimensional NMR experiments. To speed up data acquisition, we developed a family of experiments called Polarization Optimized Experiments (POE), in which we utilized the orphan spin operators that are discarded in classical multidimensional NMR experiments, recovering them to allow simultaneous acquisition of multiple 2D and 3D experiments, all while using conventional probes with spectrometers equipped with one receiver. POEs allow the concatenation of multiple 2D or 3D pulse sequences into a single experiment, thus potentially combining all of the aforementioned advances, boosting the capability of ssNMR spectrometers at least two-fold without the addition of any hardware. In this Perspective, we describe the first generation of POEs, such as dual acquisition MAS (or DUMAS) methods, and then illustrate the evolution of these experiments into MEIOSIS, a method that enables the simultaneous acquisition of multiple 2D and 3D spectra. Using these new pulse schemes for the solid-state NMR investigation of biopolymers makes it possible to obtain sequential resonance assignments, as well as distance restraints, in about half the experimental time. While designed for acquisition of heteronuclei, these new experiments can be easily implemented for proton detection and coupled with other recent advancements, such as dynamic polarization, to improve signal to noise. Finally, we illustrate the application of these methods to microcrystalline protein preparations as well as single and multi-span membrane proteins reconstituted in lipid membranes. PMID:25797011

  18. Magnetic field angle dependence of out-of-plane precession in spin torque oscillators having an in-plane magnetized free layer and a perpendicularly magnetized reference layer

    Science.gov (United States)

    Hiramatsu, Ryo; Kubota, Hitoshi; Tsunegi, Sumito; Tamaru, Shingo; Yakushiji, Kay; Fukushima, Akio; Matsumoto, Rie; Imamura, Hiroshi; Yuasa, Shinji

    2016-05-01

    Out-of-plane (OP) precession in spin torque oscillators having an in-plane (IP) magnetized free layer and a perpendicularly magnetized reference layer was studied. The bias voltage (V B) and magnetic field angle (θ) dependence of the OP precession were investigated. The absolute values of the critical magnetic fields (H\\text{B}\\text{c - } and H\\text{B}\\text{c + }) between which OP precession is excited increased as V B increased and as θ changed from the IP to the OP direction. The IP components of H\\text{B}\\text{c +/- } converged to a constant value regardless of θ. This result indicates that excitation of OP precession is suppressed entirely by the IP component of the magnetic field, and the contribution of the OP component can be ignored. The experimentally observed precession behavior was successfully modeled by macrospin simulations.

  19. Towards real-time metabolic profiling of a biopsy specimen during a surgical operation by 1H high resolution magic angle spinning nuclear magnetic resonance: a case report

    Directory of Open Access Journals (Sweden)

    Piotto Martial

    2012-01-01

    Full Text Available Abstract Introduction Providing information on cancerous tissue samples during a surgical operation can help surgeons delineate the limits of a tumoral invasion more reliably. Here, we describe the use of metabolic profiling of a colon biopsy specimen by high resolution magic angle spinning nuclear magnetic resonance spectroscopy to evaluate tumoral invasion during a simulated surgical operation. Case presentation Biopsy specimens (n = 9 originating from the excised right colon of a 66-year-old Caucasian women with an adenocarcinoma were automatically analyzed using a previously built statistical model. Conclusions Metabolic profiling results were in full agreement with those of a histopathological analysis. The time-response of the technique is sufficiently fast for it to be used effectively during a real operation (17 min/sample. Metabolic profiling has the potential to become a method to rapidly characterize cancerous biopsies in the operation theater.

  20. 31P MAS-NMR of human erythrocytes: independence of cell volume from angular velocity.

    Science.gov (United States)

    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

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

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, P.D.

    1979-07-01

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

  2. Non-contrast-enhanced 4D MR angiography with STAR spin labeling and variable flip angle sampling: a feasibility study for the assessment of Dural Arteriovenous Fistula

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Jinhee; Kim, Bom-yi; Choi, Hyun Seok; Jung, So-Lyung; Ahn, Kook-Jin; Kim, Bum-soo [The Catholic University of Korea, Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, Seoul (Korea, Republic of); Schmitt, Peter [Siemens AG, Healthcare Sector, Erlangen (Germany); Kim, Inseong; Paek, Munyoung [Siemens AG, Healthcare, Seoul (Korea, Republic of)

    2014-04-15

    This study aimed to evaluate the feasibility of non-contrast-enhanced 4D magnetic resonance angiography (NCE 4D MRA) with signal targeting with alternative radiofrequency (STAR) spin labeling and variable flip angle (VFA) sampling in the assessment of dural arteriovenous fistula (DAVF) in the transverse sinus. Nine patients underwent NCE 4D MRA for the evaluation of DAVF in the transverse sinus at 3 T. One patient was examined twice, once before and once after the interventional treatment. All patients also underwent digital subtraction angiography (DSA) and/or contrast-enhanced magnetic resonance angiography (CEMRA). For the acquisition of NCE 4D MRA, a STAR spin tagging method was used, and a VFA sampling was applied in the data readout module instead of a constant flip angle. Two readers evaluated the NCE 4D MRA data for the diagnosis of DAVF and its type with consensus. The results were compared with those from DSA and/or CEMRA. All patients underwent NCE 4D MRA without any difficulty. Among seven patients with patent DAVFs, all cases showed an early visualization of the transverse sinus on NCE 4D MRA. Except for one case, the type of DAVF of NCE 4D MRA was agreed with that of reference standard study. Cortical venous reflux (CVR) was demonstrated in two cases out of three patients with CVR. NCE 4D MRA with STAR tagging and VFA sampling is technically and clinically feasible and represents a promising technique for assessment of DAVF in the transverse sinus. Further technical developments should aim at improvements of spatial and temporal coverage. (orig.)

  3. Non-contrast-enhanced 4D MR angiography with STAR spin labeling and variable flip angle sampling: a feasibility study for the assessment of Dural Arteriovenous Fistula

    International Nuclear Information System (INIS)

    This study aimed to evaluate the feasibility of non-contrast-enhanced 4D magnetic resonance angiography (NCE 4D MRA) with signal targeting with alternative radiofrequency (STAR) spin labeling and variable flip angle (VFA) sampling in the assessment of dural arteriovenous fistula (DAVF) in the transverse sinus. Nine patients underwent NCE 4D MRA for the evaluation of DAVF in the transverse sinus at 3 T. One patient was examined twice, once before and once after the interventional treatment. All patients also underwent digital subtraction angiography (DSA) and/or contrast-enhanced magnetic resonance angiography (CEMRA). For the acquisition of NCE 4D MRA, a STAR spin tagging method was used, and a VFA sampling was applied in the data readout module instead of a constant flip angle. Two readers evaluated the NCE 4D MRA data for the diagnosis of DAVF and its type with consensus. The results were compared with those from DSA and/or CEMRA. All patients underwent NCE 4D MRA without any difficulty. Among seven patients with patent DAVFs, all cases showed an early visualization of the transverse sinus on NCE 4D MRA. Except for one case, the type of DAVF of NCE 4D MRA was agreed with that of reference standard study. Cortical venous reflux (CVR) was demonstrated in two cases out of three patients with CVR. NCE 4D MRA with STAR tagging and VFA sampling is technically and clinically feasible and represents a promising technique for assessment of DAVF in the transverse sinus. Further technical developments should aim at improvements of spatial and temporal coverage. (orig.)

  4. Resolution enhancement by homonuclear J-decoupling: application to three-dimensional solid-state magic angle spinning NMR spectroscopy

    International Nuclear Information System (INIS)

    We describe a simple protocol to achieve homonuclear J-decoupling in the indirect dimensions of multidimensional experiments, and to enhance spectral resolution of the backbone Cα carbons in the 3D NCACX experiment. In the proposed protocol, the refocusing of the Cα-CO homonuclear J-couplings is achieved by applying an off-resonance selective π pulse to the CO spectral region in the middle of Cα chemical shift evolution. As is commonly used in solution NMR, a compensatory echo period is used to refocus the unwanted chemical shift evolution of Cα spins, which takes place during the off-resonance selective pulse. The experiments were carried out on the β1 immunoglobulin binding domain of protein G (GB1). In GB1, such implementation results in significantly reduced line widths, and leads to an overall sensitivity enhancement

  5. Magnetic Resonance Microscopy Contribution to Interpret High-Resolution Magic Angle Spinning Metabolomic Data of Human Tumor Tissue

    Directory of Open Access Journals (Sweden)

    M. Carmen Martínez-Bisbal

    2011-01-01

    Full Text Available HRMAS NMR is considered a valuable technique to obtain detailed metabolic profile of unprocessed tissues. To properly interpret the HRMAS metabolomic results, detailed information of the actual state of the sample inside the rotor is needed. MRM (Magnetic Resonance Microscopy was applied for obtaining structural and spatially localized metabolic information of the samples inside the HRMAS rotors. The tissue was observed stuck to the rotor wall under the effect of HRMAS spinning. MRM spectroscopy showed a transference of metabolites from the tissue to the medium. The sample shape and the metabolite transfer after HRMAS indicated that tissue had undergone alterations and it can not be strictly considered as intact. This must be considered when HRMAS is used for metabolic tissue characterization, and it is expected to be highly dependent on the manipulation of the sample. The localized spectroscopic information of MRM reveals the biochemical compartmentalization on tissue samples hidden in the HRMAS spectrum.

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

    Energy Technology Data Exchange (ETDEWEB)

    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

  7. Spin orbit splitting in the valence bands of ZrSxSe2−x: Angle resolved photoemission and density functional theory

    International Nuclear Information System (INIS)

    Highlights: ► We performed high resolution ARPES on 1T–ZrSxSe2−x. ► A characteristic splitting of the chalcogen p-derived VB along high symmetry directions was observed. ► The splitting size at the A point of the BZ is found to increase from 0.06 to 0.31 eV from ZrS2 towards ZrSe2. ► Electronic structure calculations based on the DFT were performed using the model of TB–MBJ. ► The calculations show that the splitting is due to SO coupling of the valence bands. -- Abstract: Angle-resolved photoelectron spectroscopy using synchrotron radiation has been performed on 1T–ZrSxSe2−x, where x varies from 0 to 2, in order to study the influence of the spin-orbit interaction in the valence bands. The crystals were grown by chemical vapour transport technique using Iodine as transport agent. A characteristic splitting of the chalcogen p-derived valence bands along high symmetry directions has been observed experimentally. The size of the splitting increases with the increase of the atomic number of the chalcogenide, e.g. at the A point of the Brillouin zone from 0.06 eV to 0.31 eV with an almost linear dependence with x, as progressing from ZrS2 towards ZrSe2, respectively. Electronic structure calculations based on the density functional theory have been performed using the model of Tran–Blaha [1] and the modified version of the exchange potential proposed by Becke and Johnson [2] (TB–MBJ) both with and without spin-orbit (SO) coupling. The calculations show that the splitting is mainly due to spin-orbit coupling and the degeneracy of the valance bands is lifted

  8. 13C MAS NMR studies of the effects of hydration on the cell walls of potatoes and Chinese water chestnuts.

    Science.gov (United States)

    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

  9. Relation between magnetization and Faraday angles produced by ultrafast spin-flip processes within the three-level Λ-type system

    International Nuclear Information System (INIS)

    Ultrafast magneto-optical (MO) experiments constitute a powerful tool to explore the magnetization dynamics of diverse materials. Over the last decade, there have been many theoretical and experimental developments on this subject. However, the relation between the magnetization dynamics and the transient MO response still remains unclear. In this work, we calculate the magnetization of a material, as well as the magneto-optical rotation and ellipticity angles measured in a single-beam experiment. Then, we compare the magnetization to the MO response. The magnetic material is modeled by a three-level Λ-type system, which represents a simple model to describe MO effects induced by an ultrafast laser pulse. Our calculations use the density matrix formalism, while the dynamics of the system is obtained by solving the Lindblad equation taking into account population relaxation and dephasing processes. Furthermore, we consider the Faraday rotation of the optical waves that simultaneously causes spin-flip. We show that the Faraday angles remain proportional to the magnetization only if the system has reached the equilibrium-state, and that this proportionality is directly related to the population and coherence decay rates. For the non-equilibrium situation, the previous proportionality relation is no longer valid. We show that our model is able to interpret some recent experimental results obtained in a single-pulse experiment. We further show that, after a critical pulse duration, the decrease of the ellipticity as a function of the absorbed energy is a characteristic of the system

  10. Intracranial cerebrospinal fluid spaces imaging using a pulse-triggered three-dimensional turbo spin echo MR sequence with variable flip-angle distribution

    International Nuclear Information System (INIS)

    To assess the three-dimensional turbo spin echo with variable flip-angle distribution magnetic resonance sequence (SPACE: Sampling Perfection with Application optimised Contrast using different flip-angle Evolution) for the imaging of intracranial cerebrospinal fluid (CSF) spaces. We prospectively investigated 18 healthy volunteers and 25 patients, 20 with communicating hydrocephalus (CH), five with non-communicating hydrocephalus (NCH), using the SPACE sequence at 1.5T. Volume rendering views of both intracranial and ventricular CSF were obtained for all patients and volunteers. The subarachnoid CSF distribution was qualitatively evaluated on volume rendering views using a four-point scale. The CSF volumes within total, ventricular and subarachnoid spaces were calculated as well as the ratio between ventricular and subarachnoid CSF volumes. Three different patterns of subarachnoid CSF distribution were observed. In healthy volunteers we found narrowed CSF spaces within the occipital aera. A diffuse narrowing of the subarachnoid CSF spaces was observed in patients with NCH whereas patients with CH exhibited narrowed CSF spaces within the high midline convexity. The ratios between ventricular and subarachnoid CSF volumes were significantly different among the volunteers, patients with CH and patients with NCH. The assessment of CSF spaces volume and distribution may help to characterise hydrocephalus. (orig.)

  11. Relation between magnetization and Faraday angles produced by ultrafast spin-flip processes within the three-level Λ-type system

    Energy Technology Data Exchange (ETDEWEB)

    Hinschberger, Y. [Departamento de Física e Astronomia, Instituto de Física dos Materiais da Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Lavoine, J. P. [Departement of Ultrafast Optics and Nanophotonics, Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504, CNRS, Université de Strasbourg, 23, Rue du Loess, BP 43, 67034 Strasbourg-Cedex 2 (France)

    2015-08-07

    Ultrafast magneto-optical (MO) experiments constitute a powerful tool to explore the magnetization dynamics of diverse materials. Over the last decade, there have been many theoretical and experimental developments on this subject. However, the relation between the magnetization dynamics and the transient MO response still remains unclear. In this work, we calculate the magnetization of a material, as well as the magneto-optical rotation and ellipticity angles measured in a single-beam experiment. Then, we compare the magnetization to the MO response. The magnetic material is modeled by a three-level Λ-type system, which represents a simple model to describe MO effects induced by an ultrafast laser pulse. Our calculations use the density matrix formalism, while the dynamics of the system is obtained by solving the Lindblad equation taking into account population relaxation and dephasing processes. Furthermore, we consider the Faraday rotation of the optical waves that simultaneously causes spin-flip. We show that the Faraday angles remain proportional to the magnetization only if the system has reached the equilibrium-state, and that this proportionality is directly related to the population and coherence decay rates. For the non-equilibrium situation, the previous proportionality relation is no longer valid. We show that our model is able to interpret some recent experimental results obtained in a single-pulse experiment. We further show that, after a critical pulse duration, the decrease of the ellipticity as a function of the absorbed energy is a characteristic of the system.

  12. Faster pediatric 3-T abdominal magnetic resonance imaging: comparison between conventional and variable refocusing flip-angle single-shot fast spin-echo sequences

    International Nuclear Information System (INIS)

    Single-shot fast spin echo (SSFSE) is particularly appealing in pediatric patients because of its motion robustness. However radiofrequency energy deposition at 3 tesla forces long pauses between slices, leading to longer scans, longer breath-holds and more between-slice motion. We sought to learn whether modulation of the SSFSE refocusing flip-angle train could reduce radiofrequency energy deposition without degrading image quality, thereby reducing inter-slice pauses and overall scan times. We modulated the refocusing flip-angle train for SSFSE to minimize energy deposition while minimizing blurring and motion-related signal loss. In a cohort of 50 consecutive patients (25 boys, mean age 5.5 years, range 1 month to 17 years) referred for abdominal MRI we obtained standard SSFSE and variable refocusing flip-angle (vrfSSFSE) images and recorded sequence scan times. Two readers independently scored the images in blinded, randomized order for noise, tissue contrast, sharpness, artifacts and left lobe hepatic signal uniformity on a four-point scale. The null hypothesis of no difference between SSFSE and vrfSSFSE image-quality was assessed with a Mann-Whitney U test, and the null hypothesis of no scan time difference was assessed with the paired t-test. SSFSE and vrfSSFSE mean acquisition times were 54.3 and 26.2 s, respectively (P-value <0.0001). For each reader, SSFSE and vrfSSFSE noise, tissue contrast, sharpness and artifacts were not significantly different (P-values 0.18-0.86). However, SSFSE had better left lobe hepatic signal uniformity (P < 0.01, both readers). vrfSSFSE is twice as fast as SSFSE, with equivalent image quality with the exception of left hepatic lobe signal heterogeneity. (orig.)

  13. Faster pediatric 3-T abdominal magnetic resonance imaging: comparison between conventional and variable refocusing flip-angle single-shot fast spin-echo sequences

    Energy Technology Data Exchange (ETDEWEB)

    Ruangwattanapaisarn, Nichanan [Mahidol University, Department of Diagnostic and Therapeutic Radiology, Ramathibodi Hospital, Bangkok (Thailand); Stanford University, LPCH Department of Radiology, Stanford, CA (United States); Loening, Andreas M.; Saranathan, Manojkumar; Vasanawala, Shreyas S. [Stanford University, LPCH Department of Radiology, Stanford, CA (United States); Litwiller, Daniel V. [GE Healthcare, Rochester, MN (United States)

    2015-06-15

    Single-shot fast spin echo (SSFSE) is particularly appealing in pediatric patients because of its motion robustness. However radiofrequency energy deposition at 3 tesla forces long pauses between slices, leading to longer scans, longer breath-holds and more between-slice motion. We sought to learn whether modulation of the SSFSE refocusing flip-angle train could reduce radiofrequency energy deposition without degrading image quality, thereby reducing inter-slice pauses and overall scan times. We modulated the refocusing flip-angle train for SSFSE to minimize energy deposition while minimizing blurring and motion-related signal loss. In a cohort of 50 consecutive patients (25 boys, mean age 5.5 years, range 1 month to 17 years) referred for abdominal MRI we obtained standard SSFSE and variable refocusing flip-angle (vrfSSFSE) images and recorded sequence scan times. Two readers independently scored the images in blinded, randomized order for noise, tissue contrast, sharpness, artifacts and left lobe hepatic signal uniformity on a four-point scale. The null hypothesis of no difference between SSFSE and vrfSSFSE image-quality was assessed with a Mann-Whitney U test, and the null hypothesis of no scan time difference was assessed with the paired t-test. SSFSE and vrfSSFSE mean acquisition times were 54.3 and 26.2 s, respectively (P-value <0.0001). For each reader, SSFSE and vrfSSFSE noise, tissue contrast, sharpness and artifacts were not significantly different (P-values 0.18-0.86). However, SSFSE had better left lobe hepatic signal uniformity (P < 0.01, both readers). vrfSSFSE is twice as fast as SSFSE, with equivalent image quality with the exception of left hepatic lobe signal heterogeneity. (orig.)

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

    Energy Technology Data Exchange (ETDEWEB)

    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

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

    International Nuclear Information System (INIS)

    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

  16. UAV Robust Strategy Control Based on MAS

    OpenAIRE

    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...

  17. Paramagnet induced signal quenching in MAS-DNP experiments in frozen homogeneous solutions

    Science.gov (United States)

    Corzilius, Björn; Andreas, Loren B.; Smith, Albert A.; Ni, Qing Zhe; Griffin, Robert G.

    2014-03-01

    The effects of nuclear signal quenching induced by the presence of a paramagnetic polarizing agent are documented for conditions used in magic angle spinning (MAS)-dynamic nuclear polarization (DNP) experiments on homogeneous solutions. In particular, we present a detailed analysis of three time constants: (1) the longitudinal build-up time constant TB for 1H; (2) the rotating frame relaxation time constant T1ρ for 1H and 13C and (3) T2 of 13C, the transverse relaxation time constant in the laboratory frame. These relaxation times were measured during microwave irradiation at a magnetic field of 5 T (140 GHz) as a function of the concentration of four polarizing agents: TOTAPOL, 4-amino-TEMPO, trityl (OX063), and Gd-DOTA and are compared to those obtained for a sample lacking paramagnetic doping. We also report the EPR relaxation time constants T1S and T2S, the DNP enhancements, ε, and the parameter E, defined below, which measures the sensitivity enhancement for the four polarizing agents as a function of the electron concentration. We observe substantial intensity losses (paramagnetic quenching) with all of the polarizing agents due to broadening mechanisms and cross relaxation during MAS. In particular, the monoradical trityl and biradical TOTAPOL induce ∼40% and 50% loss of signal intensity. In contrast there is little suppression of signal intensity in static samples containing these paramagnetic species. Despite the losses due to quenching, we find that all of the polarizing agents provide substantial gains in signal intensity with DNP, and in particular that the net enhancement is optimal for biradicals that operate with the cross effect. We discuss the possibility that much of this polarization loss can be regained with the development of instrumentation and methods to perform electron decoupling.

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

    International Nuclear Information System (INIS)

    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

  19. 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.

    Science.gov (United States)

    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

  20. Dynamic High-Resolution H-1 and P-31 NMR Spectroscopy and H-1 T-2 Measurements in Postmortem Rabbit Muscles Using Slow Magic Angle Spinning

    Energy Technology Data Exchange (ETDEWEB)

    Bertram, Hanne Christine; Hu, Jian Zhi; Rommereim, Donald N.; Wind, Robert A.; Andersen, Henrik J.

    2004-05-05

    Postmortem changes in rabbit muscle tissue with different glycogen status (normal vs low) were followed continuously from 13 min postmortem until 8 h postmortem and again 20 h postmortem using simultaneous magic angle spinning 1H and 31P NMR spectroscopy together with measurement of the transverse relaxation time, T2, of the muscle water. The 1H metabolite spectra were measured using the phase-altered spinning sidebands (PASS) technique at a spinning rate of 40 Hz. pH values calculated from the 31P NMR spectra using the chemical shifts of the C-6 line of histidine in the 1H spectra and the chemical shifts of inorganic phosphate in the 31P spectra confirmed the different muscle glycogen status in the tissues. High-resolution 1H spectra obtained from the PASS technique revealed the presence of a new resonance line at 6.8 ppm during the postmortem period, which were absent in muscles with low muscle glycogen content. This new resonance line may originate from the aminoprotons in creatine, and its appearance may be a result of a pH effect on the exchange rate between the amino and the water protons and thereby the NMR visibility. Alternatively, the new resonance line may originate from the aromatic protons in tyrosine, and its appearance may be a result of a pH-induced protein unfolding exposing hydrophobic amino acid residues to the aqueous environment. Further studies are needed to evaluate these hypotheses. Finally, distributed analysis of the water T2 relaxation data revealed three relaxation populations and an increase in the population believed to reflect extramyofibrillar water through the postmortem period. This increase was significantly reduced (p < 0.0001) in samples from animals with low muscle glycogen content, indicating that the pH is controlling the extent of postmortem expulsion of water from myofibrillar structures. The significance of the postmortem increase in the amount extramyofibrillar water on the water-holding capacity was verified by

  1. Spin orbit splitting in the valence bands of ZrS{sub x}Se{sub 2−x}: Angle resolved photoemission and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Moustafa, Mohamed, E-mail: moustafa@physik.hu-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany); Faculty of Engineering, Pharos University in Alexandria, Canal El Mahmoudia Str., Alexandria (Egypt); Ghafari, Aliakbar; Paulheim, Alexander; Janowitz, Christoph; Manzke, Recardo [Institut für Physik, Humboldt Universität zu Berlin, Newtonstr. 15, D-12489 Berlin (Germany)

    2013-08-15

    Highlights: ► We performed high resolution ARPES on 1T–ZrS{sub x}Se{sub 2−x}. ► A characteristic splitting of the chalcogen p-derived VB along high symmetry directions was observed. ► The splitting size at the A point of the BZ is found to increase from 0.06 to 0.31 eV from ZrS{sub 2} towards ZrSe{sub 2}. ► Electronic structure calculations based on the DFT were performed using the model of TB–MBJ. ► The calculations show that the splitting is due to SO coupling of the valence bands. -- Abstract: Angle-resolved photoelectron spectroscopy using synchrotron radiation has been performed on 1T–ZrS{sub x}Se{sub 2−x}, where x varies from 0 to 2, in order to study the influence of the spin-orbit interaction in the valence bands. The crystals were grown by chemical vapour transport technique using Iodine as transport agent. A characteristic splitting of the chalcogen p-derived valence bands along high symmetry directions has been observed experimentally. The size of the splitting increases with the increase of the atomic number of the chalcogenide, e.g. at the A point of the Brillouin zone from 0.06 eV to 0.31 eV with an almost linear dependence with x, as progressing from ZrS{sub 2} towards ZrSe{sub 2}, respectively. Electronic structure calculations based on the density functional theory have been performed using the model of Tran–Blaha [1] and the modified version of the exchange potential proposed by Becke and Johnson [2] (TB–MBJ) both with and without spin-orbit (SO) coupling. The calculations show that the splitting is mainly due to spin-orbit coupling and the degeneracy of the valance bands is lifted.

  2. 1H HR-MAS NMR Spectroscopy and the Metabolite Determination of Typical Foods in Mediterranean Diet

    Directory of Open Access Journals (Sweden)

    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.

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

    International Nuclear Information System (INIS)

    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

  4. MRI of the regions of inner ear and cerebellopontine angle using a 3D T2-weighted turbo spin-echo sequence. Comparison with conventional 2D T2-weighted turbo spin-echo sequences and T1-weighted spin-echo sequences

    International Nuclear Information System (INIS)

    Purpose: To assess the value of a three-dimensional (3D) T2-weighted turbo spin-echo sequence (3D T2-TSE) in comparison to conventional two-dimensional (2D) T2-weighted TSE and unenhanced and enhanced T1-weighted spin-echo sequences (SE) in imaging anatomic structures and pathologic changes of the inner ear and cerebellopontine angle. Patients and methods: The inner ear and cerebellopotine angle were investigated by MRI in three healthy volunteers and 18 patients performing a 2D T2-weighted turbo spin-echo sequence and a 3D T2-TSE in the axial plane. In the patient study, 2D T1-weighted SE sequences both before and after the i.v. injection of gadopentate dimeglumine in both the axial and coronal plane were performed in addition. Results: Only the 3D T2-TSE enabled an accurate imaging of the anatomic structures. In cases of pathology, the 3D T2-TSE provided additional information to the performed 2D sequences. The combination of the 3D T2-TSE with unenhanced and enhanced 2D T1-weighted SE enabled the most accurate diagnosis in case of pathology. Conclusions: Accurate depiction of anatomic structures of the inner ear and cerebellopontine angle could be obtained by 3D T2-TSE only. The most accurate diagnosis in cases of pathology was provided by the combination of the 3D T2-TSE with unenhanced and enhanced 2D T1-weighted spin-echo sequences. (orig.)

  5. Identification of NH…N hydrogen bonds by magic angle spinning solid state NMR in a double-stranded RNA associated with myotonic dystrophy

    Science.gov (United States)

    Leppert, Jörg; Urbinati, Carl R.; Häfner, Sabine; Ohlenschläger, Oliver; Swanson, Maurice S.; Görlach, Matthias; Ramachandran, Ramadurai

    2004-01-01

    RNA plays a central role in biological processes and exhibits a variety of secondary and tertiary structural features that are often stabilized via hydrogen bonds. The distance between the donor and acceptor nitrogen nuclei involved in NH…N hydrogen bonds in nucleic acid base pairs is typically in the range of 2.6–2.9 Å. Here, we show for the first time that such spatial proximity between 15N nitrogen nuclei can be conveniently monitored via magic angle spinning solid state NMR on a uniformly 15N-labelled RNA. The presence of NH…N hydrogen bonds is reflected as cross-peaks between the donor and acceptor nitrogen nuclei in 2D 15N dipolar chemical shift correlation spectra. The RNA selected for this experimental study was a CUG repeat expansion implicated in the neuromuscular disease myotonic dystrophy. The results presented provide direct evidence that the CUG repeat expansion adopts a double-stranded conformation. PMID:14973225

  6. Metabolomics by Proton High-Resolution Magic-Angle-Spinning Nuclear Magnetic Resonance of Tomato Plants Treated with Two Secondary Metabolites Isolated from Trichoderma.

    Science.gov (United States)

    Mazzei, Pierluigi; Vinale, Francesco; Woo, Sheridan Lois; Pascale, Alberto; Lorito, Matteo; Piccolo, Alessandro

    2016-05-11

    Trichoderma fungi release 6-pentyl-2H-pyran-2-one (1) and harzianic acid (2) secondary metabolites to improve plant growth and health protection. We isolated metabolites 1 and 2 from Trichoderma strains, whose different concentrations were used to treat seeds of Solanum lycopersicum. The metabolic profile in the resulting 15 day old tomato leaves was studied by high-resolution magic-angle-spinning nuclear magnetic resonance (HRMAS NMR) spectroscopy directly on the whole samples without any preliminary extraction. Principal component analysis (PCA) of HRMAS NMR showed significantly enhanced acetylcholine and γ-aminobutyric acid (GABA) content accompanied by variable amount of amino acids in samples treated with both Trichoderma secondary metabolites. Seed germination rates, seedling fresh weight, and the metabolome of tomato leaves were also dependent upon doses of metabolites 1 and 2 treatments. HRMAS NMR spectroscopy was proven to represent a rapid and reliable technique for evaluating specific changes in the metabolome of plant leaves and calibrating the best concentration of bioactive compounds required to stimulate plant growth. PMID:27088924

  7. Evaluation of Tissue Metabolites with High Resolution Magic Angle Spinning MR Spectroscopy Human Prostate Samples After Three-Year Storage at -80ºC

    Directory of Open Access Journals (Sweden)

    Kate W. Jordan

    2007-01-01

    Full Text Available Accurate interpretation and correlation of tissue spectroscopy with pathological conditions requires disease specific tissue metabolite databases; however, specimens for research are often kept in frozen storage for various lengths of time. Whether such frozen storage results in alterations to the measured metabolites is a critical but largely unknown issue. In this study, human prostate tissues from specimens that had been stored at –80 ºC for 32 months were analyzed with high resolution magic angle spinning (HRMAS magnetic resonance (MR spectroscopy, and compared with the initial measurements of the adjacent specimens from the same cases when snap frozen in the operation room and kept frozen for less than 24 hours. Results of the current study indicate that that the storage-induced metabolite alterations are below the limits that tissue MR spectroscopy can discriminate. Furthermore, quantitative pathology evaluations suggest the observed alterations in metabolite profi les measured from the adjacent specimens of the same prostates may be accounted for by tissue pathological heterogeneities and are not a result of storage conditions. Hence, these results indicate that long-term frozen storage of prostate specimens can be quantitatively analyzed by HRMAS MR spectroscopy without concerns regarding significant metabolic degradation or alteration.

  8. 1H High Resolution Magic-Angle Coil Spinning (HR-MACS) µNMR Metabolic Profiling of whole Saccharomyces cervisiae cells: A Demonstrative Study

    OpenAIRE

    AlanWong

    2014-01-01

    The low sensitivity of Nuclear Magnetic Resonance (NMR) is its prime shortcoming compared to other analytical methods for metabolomic studies. It relies on large sample volume (30–50 µl for HR-MAS) for rich metabolic profiling, hindering high-throughput screening especially when the sample requires a labor-intensive preparation or is a sacred specimen. This is indeed the case for some living organisms. This study evaluates a 1H HR-MAS approach for metabolic profiling of small volume (250 nl) ...

  9. A social-democracia do MAS boliviano

    OpenAIRE

    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...

  10. MRI of intracranial vertebral artery dissection: evaluation of intramural haematoma using a black blood, variable-flip-angle 3D turbo spin-echo sequence

    International Nuclear Information System (INIS)

    We investigated the efficacy of three-dimensional black blood T1-weighted imaging (3D-BB-T1WI) using a variable refocusing flip angle turbo spin-echo sequence in the diagnosis of intracranial vertebral artery dissection (VAD). Sixteen consecutive patients diagnosed with intracranial VAD underwent magnetic resonance imaging that included 3D time-of-flight-MRA, axial spin-echo T1-weighted images (SE-T1WI) and oblique coronal 3D-BB-T1WI sequences. The visualization, morphology and extent of intramural haematomas were assessed and compared among the sequences. Results obtained by digital subtraction angiography (DSA), 3D-angiography and/or 3D-CT angiography (CTA) were used as standards of reference. 3D-BB-T1WI revealed intramural haematomas in all cases, whereas SE-T1WI and magnetic resonance angiography (MRA) failed to reveal a haematoma in one case and three cases, respectively. The mean visualization grading score for the intramural haematoma was the highest for 3D-BB-T1WI, and there was a statistically significant difference among the sequences (p < 0.001). At least a portion of the intramural haematoma was distinguishable from the lumen on 3D-BB-T1WI, whereas the haematomas were entirely indistinguishable from intraluminal signals on MRA in two cases (12.5 %) and on SE-T1WI in one case (6.3 %). 3D-BB-T1WI revealed the characteristic crescent shape of the intramural haematoma in 14 cases (87.5 %), whereas SE-T1WI and MRA revealed a crescent shape in only 7 cases (43.8 %) and 8 cases (50 %), respectively. In a consensus reading, 3D-BB-T1WI was considered the most consistent sequence in representing the extent and morphology of the lesion in 14 cases (87.5 %), compared to DSA and CTA. 3D-BB-T1WI is a promising method to evaluate intramural haematoma in patients with suspected intracranial VAD. (orig.)

  11. High-resolution magic angle spinning (1)H NMR spectroscopy of metabolic changes in rabbit lens after treatment with dexamethasone combined with UVB exposure

    Czech Academy of Sciences Publication Activity Database

    Seather, O.; Risa, O.; Čejková, Jitka; Krane, J.; Midelfart, A.

    2004-01-01

    Roč. 242, - (2004), s. 1000-1007. ISSN 0721-832X R&D Projects: GA ČR GA304/03/0419 Institutional research plan: CEZ:AV0Z5008914 Keywords : HR-MAS 1H NMR Subject RIV: FF - HEENT, Dentistry Impact factor: 1.513, year: 2004

  12. Optimal degree of protonation for {sup 1}H detection of aliphatic sites in randomly deuterated proteins as a function of the MAS frequency

    Energy Technology Data Exchange (ETDEWEB)

    Asami, Sam [Helmholtz-Zentrum Muenchen (HMGU), Deutsches Forschungszentrum fuer Gesundheit und Umwelt (HMGU) (Germany); Szekely, Kathrin; Schanda, Paul; Meier, Beat H. [Eidgenoessische Technische Hochschule Zuerich (ETH Zuerich) (Switzerland); Reif, Bernd, E-mail: reif@tum.de [Helmholtz-Zentrum Muenchen (HMGU), Deutsches Forschungszentrum fuer Gesundheit und Umwelt (HMGU) (Germany)

    2012-10-15

    The {sup 1}H dipolar network, which is the major obstacle for applying proton detection in the solid-state, can be reduced by deuteration, employing the RAP (Reduced Adjoining Protonation) labeling scheme, which yields random protonation at non-exchangeable sites. We present here a systematic study on the optimal degree of random sidechain protonation in RAP samples as a function of the MAS (magic angle spinning) frequency. In particular, we compare {sup 1}H sensitivity and linewidth of a microcrystalline protein, the SH3 domain of chicken {alpha}-spectrin, for samples, prepared with 5-25 % H{sub 2}O in the E. coli growth medium, in the MAS frequency range of 20-60 kHz. At an external field of 19.96 T (850 MHz), we find that using a proton concentration between 15 and 25 % in the M9 medium yields the best compromise in terms of sensitivity and resolution, with an achievable average {sup 1}H linewidth on the order of 40-50 Hz. Comparing sensitivities at a MAS frequency of 60 versus 20 kHz, a gain in sensitivity by a factor of 4-4.5 is observed in INEPT-based {sup 1}H detected 1D {sup 1}H,{sup 13}C correlation experiments. In total, we find that spectra recorded with a 1.3 mm rotor at 60 kHz have almost the same sensitivity as spectra recorded with a fully packed 3.2 mm rotor at 20 kHz, even though {approx}20 Multiplication-Sign less material is employed. The improved sensitivity is attributed to {sup 1}H line narrowing due to fast MAS and to the increased efficiency of the 1.3 mm coil.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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

  15. 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

    Directory of Open Access Journals (Sweden)

    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.

  16. Proton-detected 3D 1H/13C/1H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    Science.gov (United States)

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-01

    A proton-detected 3D 1H/13C/1H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of 13C-1H connectivities, and proximities of 13C-1H and 1H-1H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including 1H-1H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) 1H/1H and 2D 13C/1H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of 1H-1H proximity and 13C-1H connectivity. In addition, the 2D (F1/F2) 1H/13C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of 1H-1H dipolar couplings, enables the measurement of proximities between 13C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of 1H-1H-13C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ṡ H2O ṡ HCl demonstrate the efficiency of the 3D experiment.

  17. The EBLM Project I-Physical and orbital parameters, including spin-orbit angles, of two low-mass eclipsing binaries on opposite sides of the Brown Dwarf limit

    CERN Document Server

    Triaud, Amaury H M J; Anderson, David R; Cargile, Phill; Cameron, Andrew Collier; Doyle, Amanda P; Faedi, Francesca; Gillon, Michaël; Chew, Yilen Gomez Maqueo; Hellier, Coel; Jehin, Emmanuel; Maxted, Pierre; Naef, Dominique; Pepe, Francesco; Pollacco, Don; Queloz, Didier; Ségransan, Damien; Smalley, Barry; Stassun, Keivan; Udry, Stéphane; West, Richard G

    2012-01-01

    This paper introduces a series of papers aiming to study the dozens of low mass eclipsing binaries (EBLM), with F, G, K primaries, that have been discovered in the course of the WASP survey. Our objects are mostly single-line binaries whose eclipses have been detected by WASP and were initially followed up as potential planetary transit candidates. These have bright primaries, which facilitates spectroscopic observations during transit and allows the study of the spin-orbit distribution of F, G, K+M eclipsing binaries through the Rossiter-McLaughlin effect. Here we report on the spin-orbit angle of WASP-30b, a transiting brown dwarf, and improve its orbital parameters. We also present the mass, radius, spin-orbit angle and orbital parameters of a new eclipsing binary, J1219-39b (1SWAPJ121921.03-395125.6, TYC 7760-484-1), which, with a mass of 95 +/- 2 Mjup, is close to the limit between brown dwarfs and stars. We find that both objects orbit in planes that appear aligned with their primaries' equatorial plane...

  18. Spin glasses

    CERN Document Server

    Bovier, Anton

    2007-01-01

    Spin glass theory is going through a stunning period of progress while finding exciting new applications in areas beyond theoretical physics, in particular in combinatorics and computer science. This collection of state-of-the-art review papers written by leading experts in the field covers the topic from a wide variety of angles. The topics covered are mean field spin glasses, including a pedagogical account of Talagrand's proof of the Parisi solution, short range spin glasses, emphasizing the open problem of the relevance of the mean-field theory for lattice models, and the dynamics of spin glasses, in particular the problem of ageing in mean field models. The book will serve as a concise introduction to the state of the art of spin glass theory, usefull to both graduate students and young researchers, as well as to anyone curious to know what is going on in this exciting area of mathematical physics.

  19. Application of 1H and 23Na magic angle spinning NMR spectroscopy to define the HRBC up-taking of MRI contrast agents

    Science.gov (United States)

    Calabi, Luisella; Paleari, Lino; Biondi, Luca; Linati, Laura; De Miranda, Mario; Ghelli, Stefano

    2003-09-01

    The up-take of Gd(III) complexes of BOPTA, DTPA, DOTA, EDTP, HPDO3A, and DOTP in HRBC has been evaluated by measuring the lanthanide induced shift (LIS) produced by the corresponding dysprosium complexes (DC) on the MAS-NMR resonances of water protons and free sodium ions. These complexes are important in their use as MRI contrast agents (MRI-CA) in diagnostics. 1H and 23Na MAS-NMR spectra of HRBC suspension, collected at 9.395 T, show only one signal due to extra- and intra-cellular water (or sodium). In MAS spectra, the presence of DC in a cellular compartment produces the LIS of only the nuclei (water proton or sodium) in that cellular compartment and this LIS can be related to the DC concentrations (by the experimental curves of LIS vs. DC concentrations) collected in the physiological solution. To obtain correct results about LIS, the use of MAS technique is mandatory, because it guarantees the only the nuclei staying in the same cellular compartment where the LC is present show the LIS. In all the cases considered, the addition of the DC to HRBC (100% hematocrit) produced a shift of only the extra-cellular water (or sodium) signal and the gradient of concentration ( GC) between extra- and intra-cellular compartments resulted greater than 100:1, when calculated by means of sodium signals. These high values of GC are direct proofs that none of the tested dysprosium complexes crosses the HRBC membrane. Since the DC are iso-structural to the gadolinium complexes the corresponding gadolinium ones (MRI-CA) do not cross the HRBC membrane and, consequently, they are not up-taken in HRBC. The GC values calculated by means of water proton signals resulted much lower than those obtained by sodium signals. This proves that the choice of the isotope is a crucial step in order to use this method in the best way. In fact, GC value depends on the lowest detectable LIS which, in turn, depends on the nature of the LC (lanthanide complex) and the observed isotopes.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    International Nuclear Information System (INIS)

    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

  2. A 3% Measurement of the Beam Normal Single Spin Asymmetry in Forward Angle Elastic Electron-Proton Scattering using the Qweak Setup

    Energy Technology Data Exchange (ETDEWEB)

    Waidyawansa, Dinayadura Buddhini [Ohio Univ., Athens, OH (United States)

    2013-08-01

    The beam normal single spin asymmetry generated in the scattering of transversely polarized electrons from unpolarized nucleons is an observable of the imaginary part of the two-photon exchange process. Moreover, it is a potential source of false asymmetry in parity violating electron scattering experiments. The Q{sub weak} experiment uses parity violating electron scattering to make a direct measurement of the weak charge of the proton. The targeted 4% measurement of the weak charge of the proton probes for parity violating new physics beyond the Standard Model. The beam normal single spin asymmetry at Q{sub weak} kinematics is at least three orders of magnitude larger than 5 ppb precision of the parity violating asymmetry. To better understand this parity conserving background, the Q{sub weak} Collaboration has performed elastic scattering measurements with fully transversely polarized electron beam on the proton and aluminum. This dissertation presents the analysis of the 3% measurement (1.3% statistical and 2.6% systematic) of beam normal single spin asymmetry in electronproton scattering at a Q2 of 0.025 (GeV/c)2. It is the most precise existing measurement of beam normal single spin asymmetry available at the time. A measurement of this precision helps to improve the theoretical models on beam normal single spin asymmetry and thereby our understanding of the doubly virtual Compton scattering process.

  3. Exploring the conformational energy landscape of glassy disaccharides by cross polarization magic angle spinning 13C nuclear magnetic resonance and numerical simulations. II. Enhanced molecular flexibility in amorphous trehalose

    Science.gov (United States)

    Lefort, Ronan; Bordat, Patrice; Cesaro, Attilio; Descamps, Marc

    2007-01-01

    This paper uses chemical shift surfaces to simulate experimental C13 cross polarization magic angle spinning spectra for amorphous solid state disaccharides, paying particular attention to the glycosidic linkage atoms in trehalose, sucrose, and lactose. The combination of molecular mechanics with density functional theory/gauge invariant atomic orbital ab initio methods provides reliable structural information on the conformational distribution in the glass. The results are interpreted in terms of an enhanced flexibility that trehalose possesses in the amorphous solid state, at least on the time scale of C13 nuclear magnetic resonance measurements. Implications of these findings for the fragility of trehalose glass and bioprotectant action are discussed.

  4. Measurement of the weak mixing angle and the spin of the gluon from angular distributions in the reaction pp{yields} Z/{gamma}*+X{yields}{mu}{sup +}{mu}{sup -}+X with ATLAS

    Energy Technology Data Exchange (ETDEWEB)

    Schmieden, Kristof

    2013-04-15

    The measurement of the effective weak mixing angle with the ATLAS experiment at the LHC is presented. It is extracted from the forward-backward asymmetry in the polar angle distribution of the muons originating from Z boson decays in the reaction pp{yields}Z/{gamma}{sup *}+X{yields} {mu}{sup +}{mu}{sup -}+X. In total 4.7 fb{sup -1} of proton-proton collisions at {radical}(s)=7 TeV are analysed. In addition, the full polar and azimuthal angular distributions are measured as a function of the transverse momentum of the Z/{gamma}{sup *} system and are compared to several simulations as well as recent results obtained in p anti p collisions. Finally, the angular distributions are used to confirm the spin of the gluon using the Lam-Tung relation.

  5. Measurement of the angular distributions in the reaction pp → Z/γ* + X → μ+μ- + X and extraction of the weak mixing angle and the spin of the gluon

    International Nuclear Information System (INIS)

    The measurement of the effective weak mixing angle with the ATLAS experiment at the LHC is presented. It is extracted from the forward-backward asymmetry in the polar angle distribution of the muons originating from Z boson decays in the reaction pp → Z/γ* + X → μ+μ- + X. In total 4.7 fb-1 of proton-proton collisions at √(s) = 7 TeV are analysed. In addition, the full polar and azimuthal angular distributions are measured as a function of the transverse momentum of the Z/γ* system. The comparisons to several simulations as well as recent results obtained in p anti p collisions are presented. Finally, the angular distributions are used to confirm the spin of the gluon using the Lam-Tung relation.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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

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

    Energy Technology Data Exchange (ETDEWEB)

    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

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    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

  12. Studying the Conformation of a Silaffin-Derived Pentalysine Peptide Embedded in Bioinspired Silica using Solution and Dynamic Nuclear Polarization Magic-Angle Spinning NMR.

    Science.gov (United States)

    Geiger, Yasmin; Gottlieb, Hugo E; Akbey, Ümit; Oschkinat, Hartmut; Goobes, Gil

    2016-05-01

    Smart materials are created in nature at interfaces between biomolecules and solid materials. The ability to probe the structure of functional peptides that engineer biogenic materials at this heterogeneous setting can be facilitated tremendously by use of DNP-enhanced solid-state NMR spectroscopy. This sensitive NMR technique allows simple and quick measurements, often without the need for isotope enrichment. Here, it is used to characterize a pentalysine peptide, derived from a diatom's silaffin protein. The peptide accelerates the formation of bioinspired silica and gets embedded inside the material as it is formed. Two-dimensional DNP MAS NMR of the silica-bound peptide and solution NMR of the free peptide are used to derive its secondary structure in the two states and to pinpoint some subtle conformational changes that the peptide undergoes in order to adapt to the silica environment. In addition, interactions between abundant lysine residues and silica surface are identified, and proximity of other side chains to silica and to neighboring peptide molecules is discussed. PMID:26451953

  13. Determination of NH proton chemical shift anisotropy with 14N-1H heteronuclear decoupling using ultrafast magic angle spinning solid-state NMR

    Science.gov (United States)

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-12-01

    The extraction of chemical shift anisotropy (CSA) tensors of protons either directly bonded to 14N nuclei (I = 1) or lying in their vicinity using rotor-synchronous recoupling pulse sequence is always fraught with difficulty due to simultaneous recoupling of 14N-1H heteronuclear dipolar couplings and the lack of methods to efficiently decouple these interactions. This difficulty mainly arises from the presence of large 14N quadrupolar interactions in comparison to the rf field that can practically be achieved. In the present work it is demonstrated that the application of on-resonance 14N-1H decoupling with rf field strength ∼30 times weaker than the 14N quadrupolar coupling during 1H CSA recoupling under ultrafast MAS (90 kHz) results in CSA lineshapes that are free from any distortions from recoupled 14N-1H interactions. With the use of extensive numerical simulations we have shown the applicability of our proposed method on a naturally abundant L-Histidine HCl·H2O sample.

  14. Multiple acquisitions via sequential transfer of orphan spin polarization (MAeSTOSO): How far can we push residual spin polarization in solid-state NMR?

    Science.gov (United States)

    Gopinath, T.; Veglia, Gianluigi

    2016-06-01

    Conventional multidimensional magic angle spinning (MAS) solid-state NMR (ssNMR) experiments detect the signal arising from the decay of a single coherence transfer pathway (FID), resulting in one spectrum per acquisition time. Recently, we introduced two new strategies, namely DUMAS (DUal acquisition Magic Angle Spinning) and MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), that enable the simultaneous acquisitions of multidimensional ssNMR experiments using multiple coherence transfer pathways. Here, we combined the main elements of DUMAS and MEIOSIS to harness both orphan spin operators and residual polarization and increase the number of simultaneous acquisitions. We show that it is possible to acquire up to eight two-dimensional experiments using four acquisition periods per each scan. This new suite of pulse sequences, called MAeSTOSO for Multiple Acquisitions via Sequential Transfer of Orphan Spin pOlarization, relies on residual polarization of both 13C and 15N pathways and combines low- and high-sensitivity experiments into a single pulse sequence using one receiver and commercial ssNMR probes. The acquisition of multiple experiments does not affect the sensitivity of the main experiment; rather it recovers the lost coherences that are discarded, resulting in a significant gain in experimental time. Both merits and limitations of this approach are discussed.

  15. 27Al magic-angle spinning nuclear magnetic resonance satellite transition spectroscopy of glasses in the system K2O-Al2O3-SiO2.

    Science.gov (United States)

    Mundus, C; Müller-Warmuth, W

    1995-10-01

    27Al magic-angle spinning nuclear magnetic resonance satellite transition spectroscopy at 78 MHz has been applied to determine (true) chemical shift and quadrupole coupling parameters of glasses in the system K2O-Al2O3-SiO2 with 60-80 mol% SiO2 and K2O concentrations between 0 and 24 mol%. The powdered crystalline aluminosilicates andalusite and sillimanite have also been examined. In the glasses, all Al appears to be tetrahedrally bound in the aluminosilicate network unless x = mol% K2O:mol% Al2O3 becomes extremely small. Upon decreasing x the distortion of the tetrahedral Al(OSi)4 units increases in steps, and possible explanations are discussed. Six-coordinated aluminum observed for x < 0.2 is connected with the occurrence of interstitial Al3+ ions which charge-compensate the AlO4 units in addition to K+. PMID:8748646

  16. Correlating the P-31 NMR Chemical Shielding Tensor and the (2)J(P,C) Spin-Spin Coupling Constants with Torsion Angles zeta and alpha in the Backbone of Nucleic Acids

    Czech Academy of Sciences Publication Activity Database

    Benda, Ladislav; Sochorová Vokáčová, Zuzana; Straka, Michal; Sychrovský, Vladimír

    2012-01-01

    Roč. 116, č. 12 (2012), s. 3823-3833. ISSN 1520-6106 R&D Projects: GA ČR GAP205/10/0228; GA ČR GPP208/10/P398; GA ČR GA203/09/2037 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleic acids * phosphorus NMR * NMR calculations * cross-correlated relaxation * spin–spin coupling constants Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.607, year: 2012

  17. NiFe/Pt薄膜中角度相关的逆自旋霍尔效应∗%Angle dep endent inverse spin Hall effect in NiFe/Pt thin film

    Institute of Scientific and Technical Information of China (English)

    韩方彬; 张文旭; 彭斌; 张万里

    2015-01-01

    In NiFe/Pt bilayer, when spin current originating from the magnetization procession of NiFe is inject into the adjacent Pt layer under ferromagnetic resonance (FMR), the direct current (DC) voltage VISHE generated by inverse spin Hall effect (ISHE) will be added to the voltage VSRE generated by spin rectification effect (SRE), therefore the measured voltage in experiment is the sum of VISHE and VSRE. It is crucial to separate these contributions, which has been often overlooked before, in order to make a reasonable comparison of the ISHE among different materials. The voltages having symmetric (Lorentz type) and anti-symmetric (dispersive type) components both vary with the static magnetic field strength. However, they have different static magnetic field angle dependences according to our theoretical analysis. In order to distinguish the contribution of ISHE from that of SRE, in this paper, we employ a method, in which the voltage across the sample is measured when the static magnetic field is applied to different directions, to analyze the voltage by varying magnetic field angle in a range from 0◦ to 360◦ in steps of 10◦, thereby separating the VISHE. The separation is carried out by fitting the angle dependent symmetric and anti-symmetric curves to different theoretical formulas of ISHE and SRE. The voltages of the two different contributions together with the phase angle of the microwave are obtained. At the same time, the FMR line width and the resonant field can be read out. The results show that the ferromagnetic resonance line width in NiFe(20 nm)/Pt(10 nm) sample is larger than that in NiFe(20 nm) sample due to the injection of spin current from NiFe to Pt in the bi-layer sample. We notice that in the curves of voltage vs. static magnetic field, the Lorentz symmetry components of the voltage from the bi-layer sample weight more than those from the single-layer sample. This is explained as a result of the existence of the ISHE in the bi-layer sample

  18. Increased vascular sympathetic modulation in mice with Mas receptor deficiency

    OpenAIRE

    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...

  19. Proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    Energy Technology Data Exchange (ETDEWEB)

    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); Nishiyama, Yusuke [JEOL RESONANCE Inc., Musashino, Akishima, Tokyo 196-8558 (Japan); RIKEN CLST-JEOL Collaboration Center, RIKEN, Yokohama, Kanagawa 230-0045 (Japan)

    2015-10-28

    A proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of {sup 13}C-{sup 1}H connectivities, and proximities of {sup 13}C-{sup 1}H and {sup 1}H-{sup 1}H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including {sup 1}H-{sup 1}H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) {sup 1}H/{sup 1}H and 2D {sup 13}C/{sup 1}H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of {sup 1}H-{sup 1}H proximity and {sup 13}C-{sup 1}H connectivity. In addition, the 2D (F1/F2) {sup 1}H/{sup 13}C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of {sup 1}H-{sup 1}H dipolar couplings, enables the measurement of proximities between {sup 13}C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of {sup 1}H-{sup 1}H-{sup 13}C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ⋅ H{sub 2}O ⋅ HCl demonstrate the efficiency of the 3D experiment.

  20. Spectral editing of two-dimensional magic-angle-spinning solid-state NMR spectra for protein resonance assignment and structure determination

    International Nuclear Information System (INIS)

    Several techniques for spectral editing of 2D 13C–13C correlation NMR of proteins are introduced. They greatly reduce the spectral overlap for five common amino acid types, thus simplifying spectral assignment and conformational analysis. The carboxyl (COO) signals of glutamate and aspartate are selected by suppressing the overlapping amide N–CO peaks through 13C–15N dipolar dephasing. The sidechain methine (CH) signals of valine, lecuine, and isoleucine are separated from the overlapping methylene (CH2) signals of long-chain amino acids using a multiple-quantum dipolar transfer technique. Both the COO and CH selection methods take advantage of improved dipolar dephasing by asymmetric rotational-echo double resonance (REDOR), where every other π-pulse is shifted from the center of a rotor period tr by about 0.15 tr. This asymmetry produces a deeper minimum in the REDOR dephasing curve and enables complete suppression of the undesired signals of immobile segments. Residual signals of mobile sidechains are positively identified by dynamics editing using recoupled 13C–1H dipolar dephasing. In all three experiments, the signals of carbons within a three-bond distance from the selected carbons are detected in the second spectral dimension via 13C spin exchange. The efficiencies of these spectral editing techniques range from 60 % for the COO and dynamic selection experiments to 25 % for the CH selection experiment, and are demonstrated on well-characterized model proteins GB1 and ubiquitin.

  1. Scoliosis angle

    International Nuclear Information System (INIS)

    The most commonly used methods of assessing the scoliotic deviation measure angles that are not clearly defined in relation to the anatomy of the patient. In order to give an anatomic basis for such measurements it is proposed to define the scoliotic deviation as the deviation the vertebral column makes with the sagittal plane. Both the Cobb and the Ferguson angles may be based on this definition. The present methods of measurement are then attempts to measure these angles. If the plane of these angles is parallel to the film, the measurement will be correct. Errors in the measurements may be incurred by the projection. A hypothetical projection, called a 'rectified orthogonal projection', is presented, which correctly represents all scoliotic angles in accordance with these principles. It can be constructed in practice with the aid of a computer and by performing measurements on two projections of the vertebral column; a scoliotic curve can be represented independent of the kyphosis and lordosis. (Auth.)

  2. Spin Hall noise

    NARCIS (Netherlands)

    Kamra, A.; Witek, F.P.; Meyer, S.; Huebl, H.; Geprägs, S.; Gross, R.; Bauer, G.E.W.; Goennenwein, S.T.B.

    2014-01-01

    We measure the low-frequency thermal fluctuations of pure spin current in a platinum film deposited on yttrium iron garnet via the inverse spin Hall effect (ISHE)-mediated voltage noise as a function of the angle α between the magnetization and the transport direction. The results are consistent wit

  3. Spin Hall noise

    OpenAIRE

    Kamra, A.; Witek, F.P.; Meyer, S.; Huebl, H.; Geprägs, S.; Gross, R.; Bauer, G. E. W.; Goennenwein, S. T. B.

    2014-01-01

    We measure the low-frequency thermal fluctuations of pure spin current in a Platinum film deposited on yttrium iron garnet via the inverse spin Hall effect (ISHE)-mediated voltage noise as a function of the angle $\\alpha$ between the magnetization and the transport direction. The results are consistent with the fluctuation dissipation theorem in terms of the recently discovered spin Hall magnetoresistance (SMR). We present a microscopic description of the $\\alpha$ dependence of the voltage no...

  4. Spectral editing of two-dimensional magic-angle-spinning solid-state NMR spectra for protein resonance assignment and structure determination

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt-Rohr, K.; Fritzsching, K. J.; Liao, S. Y.; Hong Mei, E-mail: mhong@iastate.edu [Iowa State University, Department of Chemistry and Ames Laboratory (United States)

    2012-12-15

    Several techniques for spectral editing of 2D {sup 13}C-{sup 13}C correlation NMR of proteins are introduced. They greatly reduce the spectral overlap for five common amino acid types, thus simplifying spectral assignment and conformational analysis. The carboxyl (COO) signals of glutamate and aspartate are selected by suppressing the overlapping amide N-CO peaks through {sup 13}C-{sup 15}N dipolar dephasing. The sidechain methine (CH) signals of valine, lecuine, and isoleucine are separated from the overlapping methylene (CH{sub 2}) signals of long-chain amino acids using a multiple-quantum dipolar transfer technique. Both the COO and CH selection methods take advantage of improved dipolar dephasing by asymmetric rotational-echo double resonance (REDOR), where every other {pi}-pulse is shifted from the center of a rotor period t{sub r} by about 0.15 t{sub r}. This asymmetry produces a deeper minimum in the REDOR dephasing curve and enables complete suppression of the undesired signals of immobile segments. Residual signals of mobile sidechains are positively identified by dynamics editing using recoupled {sup 13}C-{sup 1}H dipolar dephasing. In all three experiments, the signals of carbons within a three-bond distance from the selected carbons are detected in the second spectral dimension via {sup 13}C spin exchange. The efficiencies of these spectral editing techniques range from 60 % for the COO and dynamic selection experiments to 25 % for the CH selection experiment, and are demonstrated on well-characterized model proteins GB1 and ubiquitin.

  5. 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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  6. Spin Pumping and Inverse Spin Hall Effect in Platinum: The Essential Role of Spin-Memory Loss at Metallic Interfaces

    OpenAIRE

    Rojas-Sánchez, J. -C.; Reyren, N.; Laczkowski, P.; Savero, W.; Attané, J. -P.; Deranlot, C.; Jamet, M.; George, J.-M.; Vila, L.; Jaffrès, H.

    2013-01-01

    Through combined ferromagnetic resonance, spin-pumping and inverse spin Hall effect experiments in Co|Pt bilayers and Co|Cu|Pt trilayers, we demonstrate consistent values of spin diffusion length $\\ell_{\\rm sf}^{\\rm Pt}=3.4\\pm0.4$ nm and of spin Hall angle $\\theta_{\\rm SHE}^{\\rm Pt}=0.051\\pm0.004$ for Pt. Our data and model emphasize on the partial depolarization of the spin current at each interface due to spin-memory loss. Our model reconciles the previously published spin Hall angle values...

  7. Chemical state of boron in coal fly ash investigated by focused-ion-beam time-of-flight secondary ion mass spectrometry (FIB-TOF-SIMS) and satellite-transition magic angle spinning nuclear magnetic resonance (STMAS NMR).

    Science.gov (United States)

    Hayashi, Shun-ichi; Takahashi, Takafumi; Kanehashi, Koji; Kubota, Naoyoshi; Mizuno, Kaoru; Kashiwakura, Shunsuke; Sakamoto, Tetsuo; Nagasaka, Tetsuya

    2010-08-01

    The chemical states of boron in coal fly ash, which may control its leaching into the environment, were investigated by focused-ion-beam time-of-flight secondary ion mass spectrometry (FIB-TOF-SIMS) and satellite-transition magic angle spinning nuclear magnetic resonance (STMAS NMR) spectroscopy. The distribution of boron on the surface and in the interior of micron-sized fly ash particles was directly observed by FIB-TOF-SIMS. Coordination numbers of boron and its bonding with different atoms from particles of bulk samples were investigated by STMAS NMR. Boron in coal fly ash with relatively poor leaching characteristics appears as trigonal BO(3) and coexists with Ca and Fe at the outer layer of every particle and inside CaO-MgO particles. In contrast, boron in coal fly ash with better leaching characteristics appears as CaO- or MgO-trigonal BO(3) and tetragonal BO(4), and it is distributed only on the outer surface of each ash particle without showing any correlation with a particular element. PMID:20570315

  8. A Construction Way of MAS Based on Organization Theory

    Institute of Scientific and Technical Information of China (English)

    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.

  9. Structural changes in C–S–H gel during dissolution: Small-angle neutron scattering and Si-NMR characterization

    Energy Technology Data Exchange (ETDEWEB)

    Trapote-Barreira, Ana, E-mail: anatrapotebarreira@gmail.com [Institute of Environmental Assessment and Water Research (IDAEA), Barcelona 08034, Catalonia (Spain); Porcar, Lionel [National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899 (United States); Large Scale Structure Group, Institut Laue Langevin, Grenoble (France); Cama, Jordi; Soler, Josep M. [Institute of Environmental Assessment and Water Research (IDAEA), Barcelona 08034, Catalonia (Spain); Allen, Andrew J. [National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899 (United States)

    2015-06-15

    Flow-through experiments were conducted to study the calcium–silicate–hydrate (C–S–H) gel dissolution kinetics. During C–S–H gel dissolution the initial aqueous Ca/Si ratio decreases to reach the stoichiometric value of the Ca/Si ratio of a tobermorite-like phase (Ca/Si = 0.83). As the Ca/Si ratio decreases, the solid C–S–H dissolution rate increases from (4.5 × 10{sup −} {sup 14} to 6.7 × 10{sup −} {sup 12}) mol m{sup −} {sup 2} s{sup −} {sup 1}. The changes in the microstructure of the dissolving C–S–H gel were characterized by small-angle neutron scattering (SANS) and {sup 29}Si magic-angle-spinning nuclear magnetic resonance ({sup 29}Si-MAS NMR). The SANS data were fitted using a fractal model. The SANS specific surface area tends to increase with time and the obtained fit parameters reflect the changes in the nanostructure of the dissolving solid C–S–H within the gel. The {sup 29}Si MAS NMR analyses show that with dissolution the solid C–S–H structure tends to a more ordered tobermorite structure, in agreement with the Ca/Si ratio evolution.

  10. Evaluating Interaction of MAS Providing Context-Aware Services

    OpenAIRE

    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...

  11. Reciprocal spin Hall effects in conductors with strong spin-orbit coupling: a review.

    Science.gov (United States)

    Niimi, Yasuhiro; Otani, YoshiChika

    2015-12-01

    Spin Hall effect and its inverse provide essential means to convert charge to spin currents and vice versa, which serve as a primary function for spintronic phenomena such as the spin-torque ferromagnetic resonance and the spin Seebeck effect. These effects can oscillate magnetization or detect a thermally generated spin splitting in the chemical potential. Importantly this conversion process occurs via the spin-orbit interaction, and requires neither magnetic materials nor external magnetic fields. However, the spin Hall angle, i.e. the conversion yield between the charge and spin currents, depends severely on the experimental methods. Here we discuss the spin Hall angle and the spin diffusion length for a variety of materials including pure metals such as Pt and Ta, alloys and oxides determined by the spin absorption method in a lateral spin valve structure. PMID:26513299

  12. Solid-state proton NMR of paramagnetic metal complexes: DANTE spin echoes for selective excitation in inhomogeneously broadened lines

    Science.gov (United States)

    Carnevale, Diego; Perez Linde, A. J.; Bauer, Gerald; Bodenhausen, Geoffrey

    2013-08-01

    The paramagnetic complex bis(oxazolinylphenyl)amine-Fe(III)Cl2 is investigated by means of solid-state proton NMR at 18.8 T (800 MHz) using magic-angle spinning at 65 kHz. Spin echoes that are excited and refocused by combs of rotor-synchronized pulses in the manner of 'Delays Alternating with Nutation for Tailored Excitation' (DANTE) allow one to characterize different chemical environments that severely overlap in conventional MAS spectra. Such sequences combine two apparently contradictory features: an overall bandwidth exceeding several MHz, and very selective irradiation of a few kHz within inhomogeneously broadened sidebands. The experimental hyperfine interactions correlate well with DFT calculations.

  13. Stern-Gerlach Experiment with Higher Spins

    CERN Document Server

    Tekin, Bayram

    2015-01-01

    We analyze idealized sequential Stern-Gerlach experiments with higher spin particles. This analysis serves at least two purposes: The widely discussed spin-1/2 case leads to some misunderstandings which hopefully is removed by the higher spin discussion. Secondly, Wigner rotation matrices for generic spins become conceptually more transparent with this physical example. We also give compact formulas for the probabilities in terms of the angle between the sequential SG apparatuses for generic spins. We work out the spin-$1/2$, spin-$1$ and spin-$2$ cases explicitly. Since there are some confusing issues regarding the actual experiment, we also compile a "facts and fiction" section on the SG experiments.

  14. An MAS-Based ETL Approach for Complex Data

    CERN Document Server

    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. 31P Solid-state MAS NMR spectra

    International Nuclear Information System (INIS)

    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

  16. Knot spinning

    OpenAIRE

    Friedman, Greg

    2004-01-01

    This is an introduction to the construction of higher-dimensional knots by spinning methods. Simple spinning of classical knots was introduced by E. Artin in 1926, and several generalizations have followed. These include twist spinning, superspinning or p-spinning, frame spinning, roll spinning, and deform spinning. We survey these constructions and some of their most important applications, as well as some newer hybrids due to the author. The exposition, meant to be accessible to a broad aud...

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

    Science.gov (United States)

    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

  18. Project MAS 1984-1985. OEA Evaluation Report.

    Science.gov (United States)

    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…

  19. Spin Hall effects

    Science.gov (United States)

    Sinova, Jairo; Valenzuela, Sergio O.; Wunderlich, J.; Back, C. H.; Jungwirth, T.

    2015-10-01

    Spin Hall effects are a collection of relativistic spin-orbit coupling phenomena in which electrical currents can generate transverse spin currents and vice versa. Despite being observed only a decade ago, these effects are already ubiquitous within spintronics, as standard spin-current generators and detectors. Here the theoretical and experimental results that have established this subfield of spintronics are reviewed. The focus is on the results that have converged to give us the current understanding of the phenomena, which has evolved from a qualitative to a more quantitative measurement of spin currents and their associated spin accumulation. Within the experimental framework, optical-, transport-, and magnetization-dynamics-based measurements are reviewed and linked to both phenomenological and microscopic theories of the effect. Within the theoretical framework, the basic mechanisms in both the extrinsic and intrinsic regimes are reviewed, which are linked to the mechanisms present in their closely related phenomenon in ferromagnets, the anomalous Hall effect. Also reviewed is the connection to the phenomenological treatment based on spin-diffusion equations applicable to certain regimes, as well as the spin-pumping theory of spin generation used in many measurements of the spin Hall angle. A further connection to the spin-current-generating spin Hall effect to the inverse spin galvanic effect is given, in which an electrical current induces a nonequilibrium spin polarization. This effect often accompanies the spin Hall effect since they share common microscopic origins. Both can exhibit the same symmetries when present in structures comprising ferromagnetic and nonmagnetic layers through their induced current-driven spin torques or induced voltages. Although a short chronological overview of the evolution of the spin Hall effect field and the resolution of some early controversies is given, the main body of this review is structured from a pedagogical

  20. Coherent spin-networks

    International Nuclear Information System (INIS)

    In this paper we discuss a proposal of coherent states for loop quantum gravity. These states are labeled by a point in the phase space of general relativity as captured by a spin-network graph. They are defined as the gauge-invariant projection of a product over links of Hall's heat kernels for the cotangent bundle of SU(2). The labels of the state are written in terms of two unit vectors, a spin and an angle for each link of the graph. The heat-kernel time is chosen to be a function of the spin. These labels are the ones used in the spin-foam setting and admit a clear geometric interpretation. Moreover, the set of labels per link can be written as an element of SL(2,C). These states coincide with Thiemann's coherent states with the area operator as complexifier. We study the properties of semiclassicality of these states and show that, for large spins, they reproduce a superposition over spins of spin-networks with nodes labeled by Livine-Speziale coherent intertwiners. Moreover, the weight associated to spins on links turns out to be given by a Gaussian times a phase as originally proposed by Rovelli.

  1. Spin Funneling for Enhanced Spin Injection into Ferromagnets.

    Science.gov (United States)

    Sayed, Shehrin; Diep, Vinh Q; Camsari, Kerem Yunus; Datta, Supriyo

    2016-01-01

    It is well-established that high spin-orbit coupling (SOC) materials convert a charge current density into a spin current density which can be used to switch a magnet efficiently and there is increasing interest in identifying materials with large spin Hall angle for lower switching current. Using experimentally benchmarked models, we show that composite structures can be designed using existing spin Hall materials such that the effective spin Hall angle is larger by an order of magnitude. The basic idea is to funnel spins from a large area of spin Hall material into a small area of ferromagnet using a normal metal with large spin diffusion length and low resistivity like Cu or Al. We show that this approach is increasingly effective as magnets get smaller. We avoid unwanted charge current shunting by the low resistive NM layer utilizing the newly discovered phenomenon of pure spin conduction in ferromagnetic insulators via magnon diffusion. We provide a spin circuit model for magnon diffusion in FMI that is benchmarked against recent experiments and theory. PMID:27374496

  2. Spin Funneling for Enhanced Spin Injection into Ferromagnets

    Science.gov (United States)

    Sayed, Shehrin; Diep, Vinh Q.; Camsari, Kerem Yunus; Datta, Supriyo

    2016-07-01

    It is well-established that high spin-orbit coupling (SOC) materials convert a charge current density into a spin current density which can be used to switch a magnet efficiently and there is increasing interest in identifying materials with large spin Hall angle for lower switching current. Using experimentally benchmarked models, we show that composite structures can be designed using existing spin Hall materials such that the effective spin Hall angle is larger by an order of magnitude. The basic idea is to funnel spins from a large area of spin Hall material into a small area of ferromagnet using a normal metal with large spin diffusion length and low resistivity like Cu or Al. We show that this approach is increasingly effective as magnets get smaller. We avoid unwanted charge current shunting by the low resistive NM layer utilizing the newly discovered phenomenon of pure spin conduction in ferromagnetic insulators via magnon diffusion. We provide a spin circuit model for magnon diffusion in FMI that is benchmarked against recent experiments and theory.

  3. 1H MAS, 13C CP/MAS, and 2H NMR spectra studies of piperidinium p-chlorobenzoate

    International Nuclear Information System (INIS)

    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.

  4. Spin-inversion in nanoscale graphene sheets with a Rashba spin-orbit barrier

    Directory of Open Access Journals (Sweden)

    Somaieh Ahmadi

    2012-03-01

    Full Text Available Spin-inversion properties of an electron in nanoscale graphene sheets with a Rashba spin-orbit barrier is studied using transfer matrix method. It is found that for proper values of Rashba spin-orbit strength, perfect spin-inversion can occur in a wide range of electron incident angle near the normal incident. In this case, the graphene sheet with Rashba spin-orbit barrier can be considered as an electron spin-inverter. The efficiency of spin-inverter can increase up to a very high value by increasing the length of Rashba spin-orbit barrier. The effect of intrinsic spin-orbit interaction on electron spin inversion is then studied. It is shown that the efficiency of spin-inverter decreases slightly in the presence of intrinsic spin-orbit interaction. The present study can be used to design graphene-based spintronic devices.

  5. Heterogeneous catalysis of NMR spectroscopy of spin 1/2 nuclei

    International Nuclear Information System (INIS)

    After a short review of nuclear magnetic resonance (NMR) studies on solid catalysts and heterogeneous catalytic reactions, various possibilities for a quantitative characterization of the acidity of ziolites and related catalysts by NMR methods are discussed. It is shown that proton magnetic resonance offers a unique method to determine quantitatively both the strength and concentration of Broensted acid sites by magic angle spinning (MAS) of evacuated samples. Two examples for an application of this novel method are given where the catalytic activity could be related quantitatively to the acidic properties of the catalytic activity could be related quantitatively to the acidic properties of the calalysts. In contrast, NMR methods fail until now to describe Lewis acidity of catalysts with a comparable success. (author). 41 refs.; 5 figs.; 2 tabs

  6. Reprint of : Spin polarization induced by an electric field in the presence of weak localization effects

    Science.gov (United States)

    Guerci, Daniele; Borge, Juan; Raimondi, Roberto

    2016-08-01

    We evaluate the spin polarization (Edelstein or inverse spin galvanic effect) and the spin Hall current induced by an applied electric field by including the weak localization corrections for a two-dimensional electron gas. We show that the weak localization effects yield logarithmic corrections to both the spin polarization conductivity relating the spin polarization and the electric field and to the spin Hall angle relating the spin and charge currents. The renormalization of both the spin polarization conductivity and the spin Hall angle combine to produce a zero correction to the total spin Hall conductivity as required by an exact identity. Suggestions for the experimental observation of the effect are given.

  7. DynamicWorkflow in Grid-MAS Integration Context

    OpenAIRE

    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...

  8. Spin Hall effect by surface roughness

    KAUST Repository

    Zhou, Lingjun

    2015-01-08

    The spin Hall and its inverse effects, driven by the spin orbit interaction, provide an interconversion mechanism between spin and charge currents. Since the spin Hall effect generates and manipulates spin current electrically, to achieve a large effect is becoming an important topic in both academia and industries. So far, materials with heavy elements carrying a strong spin orbit interaction, provide the only option. We propose here a new mechanism, using the surface roughness in ultrathin films, to enhance the spin Hall effect without heavy elements. Our analysis based on Cu and Al thin films suggests that surface roughness is capable of driving a spin Hall angle that is comparable to that in bulk Au. We also demonstrate that the spin Hall effect induced by surface roughness subscribes only to the side-jump contribution but not the skew scattering. The paradigm proposed in this paper provides the second, not if only, alternative to generate a sizable spin Hall effect.

  9. Commercial facility site selection simulating based on MAS

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    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)

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

    Energy Technology Data Exchange (ETDEWEB)

    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)

  12. Spin polarization induced by an electric field in the presence of weak localization effects

    OpenAIRE

    Guerci, Daniele; Borge, Juan; Raimondi, Roberto

    2015-01-01

    We evaluate the spin polarization (Edelstein or inverse spin galvanic effect) and the spin Hall current induced by an applied electric field by including the weak localization corrections for a two-dimensional electron gas. We show that the weak localization effects yield logarithmic corrections to both the spin polarization conductivity relating the spin polarization and the electric field and to the spin Hall angle relating the spin and charge currents. The renormalization of both the spin ...

  13. Spin current

    CERN Document Server

    Valenzuela, Sergio O; Saitoh, Eiji; Kimura, Takashi

    2012-01-01

    In a new branch of physics and technology called spin-electronics or spintronics, the flow of electrical charge (usual current) as well as the flow of electron spin, the so-called 'spin current', are manipulated and controlled together. This book provides an introduction and guide to the new physics and application of spin current.

  14. Joule heating in spin Hall geometry

    Science.gov (United States)

    Taniguchi, Tomohiro

    2016-07-01

    The theoretical formula for the entropy production rate in the presence of spin current is derived using the spin-dependent transport equation and thermodynamics. This theory is applicable regardless of the source of the spin current, for example, an electric field, a temperature gradient, or the Hall effect. It reproduces the result in a previous work on the dissipation formula when the relaxation time approximation is applied to the spin relaxation rate. By using the developed theory, it is found that the dissipation in the spin Hall geometry has a contribution proportional to the square of the spin Hall angle.

  15. Spin dynamics through homogeneous magnetic superlattices

    International Nuclear Information System (INIS)

    We develop a theory to study the spin dynamics of a 2DEG moving across a magnetic superlattice, where the external, tilted and sectionally homogeneous magnetic fields, induce spin transitions between the two spin components, along the superlattice. Using the transfer matrix approach, we provide a joint description of the spatial evolution of the spin-1/2 wave functions: amplitude and phase, in terms of the tilting angle, the Fermi energy and the magnetic field strengths. Clear signatures of coherent spin mixing and coherent spin flipping processes are also obtained. (author)

  16. Spin supercurrent

    International Nuclear Information System (INIS)

    We review the main properties of spin waves condensation to a coherent quantum state, named homogeneously precessing domain (HPD). We describe the long range coherent transport of magnetization by spin supercurrent in antiferromagnetic superfluid He3. This quantum phenomenon was discovered 20 years ago. Since then, many magnetic extensions of superconductivity and superfluidity have been observed: spin Josephson phenomena, spin-current vortices, spin phase slippage, long distance magnetization transport by spin supercurrents, etc. Several new supercurrent phenomena have been discovered, like magnetically excited coherent quantum states, NMR in the molecular Landau field, spin-current turbulence, formation of stable non-topological solitons, etc

  17. MAS及其相关概念%MAS and Correlation Conceptions

    Institute of Scientific and Technical Information of China (English)

    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.

  18. T1P(13C) relaxation at high MAS speed and strong spin lock field

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří

    Brno : Masarykova univerzita, Brno, 1999. s. 46. ISBN 80-210-2053-9. [Spektroskopická konference NMR Valtice /14./. 12.04.1999-14.04.1999, Valtice] R&D Projects: GA AV ČR KSK2050602; GA MŠk ME 097 Subject RIV: CF - Physical ; Theoretical Chemistry

  19. Tensorial Spin-s Harmonics

    OpenAIRE

    Newman, Ezra T.; Silva-Ortigoza, Gilberto

    2005-01-01

    We show how to define and go from the spin-s spherical harmonics to the tensorial spin-s harmonics. These quantities, which are functions on the sphere taking values as Euclidean tensors, turn out to be extremely useful for many calculations in General Relativity. In the calculations, products of these functions, with their needed decompositions which are given here, often arise naturally.

  20. Formalization of the Abstract Architecture of MAS Based on FIPA Specification

    Institute of Scientific and Technical Information of China (English)

    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.

  1. Finding the true spin-lattice relaxation time for half-integral nuclei with non-zero quadrupole couplings

    Science.gov (United States)

    Yesinowski, James P.

    2015-03-01

    Measuring true spin-lattice relaxation times T1 of half-integral quadrupolar nuclei having non-zero nuclear quadrupole coupling constants (NQCCs) presents challenges due to the presence of satellite-transitions (STs) that may lie outside the excitation bandwidth of the central transition (CT). This leads to complications in establishing well-defined initial conditions for the population differences in these multi-level systems. In addition, experiments involving magic-angle spinning (MAS) can introduce spin exchange due to zero-crossings of the ST and CT (or possibly rotational resonance recoupling in the case of multiple sites) and greatly altered initial conditions as well. An extensive comparison of pulse sequences that have been previously used to measure T1 in such systems is reported, using the 71Ga (I = 3/2) NMR of a Ge-doped h-GaN n-type semiconductor sample as the test case. The T1 values were measured at the peak maximum of the Knight shift distribution. Analytical expressions for magnetization-recovery of the CT appropriate to the pulse sequences tested were used, involving contributions from both a magnetic relaxation mechanism (rate constant W) and a quadrupolar one (rate constants W1 and W2, approximately equal in this case). An asynchronous train of high-power saturating pulses under MAS that is able to completely saturate both CT and STs is found to be the most reliable and accurate method for obtaining the "true T1", defined here as (2W + 2W1,2)-1. All other methods studied yielded poor agreement with this "true T1" value or even resulted in gross errors, for reasons that are analyzed in detail. These methods involved a synchronous train of saturating pulses under MAS, an inversion-recovery sequence under MAS or static conditions, and a saturating comb of pulses on a static sample. Although the present results were obtained on a sample where the magnetic relaxation mechanism dominated the quadrupolar one, the asynchronous saturating pulse train

  2. MAS-SCM for Auto Sector-The Framework

    Directory of Open Access Journals (Sweden)

    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.

  3. The MAS Six Years in Power in Bolivia

    OpenAIRE

    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...

  4. Optimization of MAS and MODIS Polar ocean cloud mask

    OpenAIRE

    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...

  5. Milli-Arcsecond (MAS) Imaging of the Solar Corona

    Science.gov (United States)

    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.

  6. Interfacial spin Hall current in a Josephson junction with Rashba spin-orbit coupling

    Institute of Scientific and Technical Information of China (English)

    Yang Zhi-Hong; Yang Yong-Hong; Wang Jun

    2012-01-01

    We theoretically investigate the spin transport properties of the Cooper pairs in a conventional Josephson junction with Rashba spin orbit coupling considered in one of the superconducting leads.It is found that an angle-resolved spin supercurrent flows through the junction and a nonzero interfacial spin Hall current driven by the superconducting phase difference also appears at the interface.The physical origin of this is that the Rashba spin-orbit coupling can indnce a triplet order parameter in the s-wave superconductor.The interfacial spin Hall current dependences on the system parameters are also discussed.

  7. Spin-torque switching of a nano-magnet using giant spin hall effect

    International Nuclear Information System (INIS)

    The Giant Spin Hall Effect(GSHE) in metals with high spin-orbit coupling is an efficient way to convert charge currents to spin currents, making it well-suited for writing information into magnets in non-volatile magnetic memory as well as spin-logic devices. We demonstrate the switching of an in-plane CoFeB magnet using a combination of GSHE and an external magnetic field. The magnetic field dependence of the critical current is used to estimate the spin hall angle with the help of a thermal activation model for spin-transfer torque switching of a nanomagnet

  8. Shot noise of spin current and spin transfer torque

    International Nuclear Information System (INIS)

    We report the theoretical investigation of the shot noise of the spin current (Sσ) and the spin transfer torque (Sτ) for non-collinear spin polarized transport in a spin-valve device which consists of a normal scattering region connected by two ferromagnetic electrodes (MNM system). Our theory was developed using the non-equilibrium Green’s function method, and general nonlinear Sσ − V and Sτ − V relations were derived as a function of the angle θ between the magnetizations of two leads. We have applied our theory to a quantum dot system with a resonant level coupled with two ferromagnetic electrodes. It was found that, for the MNM system, the auto-correlation of the spin current is enough to characterize the fluctuation of the spin current. For a system with three ferromagnetic layers, however, both auto-correlation and cross-correlation of the spin current are needed to characterize the noise of the spin current. For a quantum dot with a resonant level, the derivative of spin torque with respect to bias voltage is proportional to sinθ when the system is far away from resonance. When the system is near resonance, the spin transfer torque becomes a non-sinusoidal function of θ. The derivative of the noise of the spin transfer torque with respect to the bias voltage Nτ behaves differently when the system is near or far away from resonance. Specifically, the differential shot noise of the spin transfer torque Nτ is a concave function of θ near resonance while it becomes a convex function of θ far away from resonance. For certain bias voltages, the period Nτ(θ) becomes π instead of 2π. For small θ, it was found that the differential shot noise of the spin transfer torque is very sensitive to the bias voltage and the other system parameters. (paper)

  9. Perception of perspective angles

    NARCIS (Netherlands)

    Erkelens, C.J.

    2015-01-01

    We perceive perspective angles, that is, angles that have an orientation in depth, differently from what they are in physical space. Extreme examples are angles between rails of a railway line or between lane dividers of a long and straight road. In this study, subjects judged perspective angles bet

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

    Science.gov (United States)

    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.

  11. The MAS Six Years in Power in Bolivia

    Directory of Open Access Journals (Sweden)

    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

    Energy Technology Data Exchange (ETDEWEB)

    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. Stern-Gerlach experiment with higher spins

    Science.gov (United States)

    Tekin, Bayram

    2016-05-01

    We analyze idealized sequential Stern-Gerlach (SG) experiments with higher spin particles. This analysis serves at least two purposes: the widely discussed spin-1/2 case leads to some misunderstandings since the probabilities are always evenly distributed for the sequential orthogonal magnets, which does not generalize to higher spins. A detailed discussion of the higher spin case, as is done here, is highly useful. Secondly, the Wigner rotation matrices for generic spins become conceptually more transparent with this physical example. We also give compact formulas for the probabilities in terms of the angle between the sequential SG apparatus for generic spins. We work out the spin-1/2, spin-1 cases explicitly. Since there are some confusing issues regarding the actual experiment, we also compile a ‘facts and fiction’ section on the SG experiments.

  14. Food Waste Composting Study from Makanan Ringan Mas

    Science.gov (United States)

    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.

  15. 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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. Asynchronous through-bond homonuclear isotropic mixing: application to carbon–carbon transfer in perdeuterated proteins under MAS

    Energy Technology Data Exchange (ETDEWEB)

    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.

  17. Asynchronous through-bond homonuclear isotropic mixing: application to carbon–carbon transfer in perdeuterated proteins under MAS

    International Nuclear Information System (INIS)

    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

  18. Perfect metamaterial absorbers with polarization angle independency in X-band waveguide

    Science.gov (United States)

    Sabah, Cumali

    2016-04-01

    The design and characterization of perfect metamaterial absorbers (MAs) based on simple configurations including square- and triangle-shapes, which operate in X-band frequency region are numerically and experimentally investigated. The proposed MAs provide perfect absorption with the polarization angle independency. In X-band waveguide, the absorption rates are 99.69% and 99.97% at the resonance frequencies of 10.57 GHz and 10.93 GHz for the square- and triangle-shaped MAs, respectively. In addition, the same configurations are numerically tested under free space boundary conditions to compare and discuss the obtained results. The suggested MAs enable myriad potential application areas for security and stealth technologies in X-band including wireless communication.

  19. Perencanaan Disain Deep Dig Arm pada Kapal Water Witch Untuk Pengerukan Sampah di Kali Mas Surabaya

    OpenAIRE

    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 ...

  20. MOS-2: A Two-Dimension Space for Positioning MAS Organizational Models

    OpenAIRE

    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...

  1. Extrinsic spin Hall effect in graphene

    Science.gov (United States)

    Rappoport, Tatiana

    The intrinsic spin-orbit coupling in graphene is extremely weak, making it a promising spin conductor for spintronic devices. In addition, many applications also require the generation of spin currents in graphene. Theoretical predictions and recent experimental results suggest one can engineer the spin Hall effect in graphene by greatly enhancing the spin-orbit coupling in the vicinity of an impurity. The extrinsic spin Hall effect then results from the spin-dependent skew scattering of electrons by impurities in the presence of spin-orbit interaction. This effect can be used to efficiently convert charge currents into spin-polarized currents. I will discuss recent experimental results on spin Hall effect in graphene decorated with adatoms and metallic cluster and show that a large spin Hall effect can appear due to skew scattering. While this spin-orbit coupling is small if compared with what it is found in metals, the effect is strongly enhanced in the presence of resonant scattering, giving rise to robust spin Hall angles. I will present our single impurity scattering calculations done with exact partial-wave expansions and complement the analysis with numerical results from a novel real-space implementation of the Kubo formalism for tight-binding Hamiltonians. The author acknowledges the Brazilian agencies CNPq, CAPES, FAPERJ and INCT de Nanoestruturas de Carbono for financial support.

  2. Selective observation of a spinning-sideband manifold of paramagnetic solids by rotation-synchronized DANTE

    Science.gov (United States)

    Murakami, Miwa; Arai, Hajime; Uchimoto, Yoshiharu; Ogumi, Zempachi

    2013-06-01

    We examine applicability of rotation-synchronized Delays Alternating with Nutation for Tailored Excitation (rs-DANTE) to a crowded sideband spectrum spreading over a few 100 kHz by the paramagnetic interaction. It is shown that rs-DANTE can be used to excite 6Li spinning sideband manifolds of the three crystallographic Li sites (2b, 4h, and 2c) in a magic-angle spinning (MAS) spectrum of 6Li-enriched Li2MnO3. The observed lineshape is insensitive to rf inhomogeneiety, thus indicating practical applicability of rs-DANTE to a paramagnetic system. Each sideband pattern can be described by the paramagnetic anisotropies evaluated by taking the electron-6Li dipolar interactions into account. The isotropic chemical shift for each site can thus be obtained by comparing the experimental sideband pattern to the calculated one. It is therefore possible by this approach to obtain both isotropic and anisotropic shift information. Further effects of structural disorder in Li2MnO3 on the isotropic shift and the sideband pattern are discussed.

  3. A New Twist on Top Quark Spin Correlations

    OpenAIRE

    Baumgart, Matthew; Tweedie, Brock

    2012-01-01

    Top-antitop pairs produced at hadron colliders are largely unpolarized, but their spins are highly correlated. The structure of these correlations varies significantly over top production phase space, allowing very detailed tests of the Standard Model. Here, we explore top quark spin correlation measurement from a general perspective, highlighting the role of azimuthal decay angles. By taking differences and sums of these angles about the top-antitop production axis, the presence of spin corr...

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

    Czech Academy of Sciences Publication Activity Database

    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

  5. Pure spin current in lateral structures

    Science.gov (United States)

    Chen, Shuhan

    SHE) is also observed in the same structure. A quantification method is described to estimate the spin Hall angle of Pt.

  6. Temperature dependent spin transport properties of platinum inferred from spin Hall magnetoresistance measurements

    International Nuclear Information System (INIS)

    We study the temperature dependence of the spin Hall magnetoresistance (SMR) in yttrium iron garnet/platinum hybrid structures via magnetization orientation dependent magnetoresistance measurements. Our experiments show a decrease of the SMR magnitude with decreasing temperature. Using the sensitivity of the SMR to the spin transport properties of the normal metal, we interpret our data in terms of a decrease of the spin Hall angle in platinum from 0.11 at room temperature to 0.075 at 10 K, while the spin diffusion length and the spin mixing conductance of the ferrimagnetic insulator/normal metal interface remain almost constant.

  7. Temperature dependent spin transport properties of platinum inferred from spin Hall magnetoresistance measurements

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Sibylle, E-mail: sibylle.meyer@wmi.badw-muenchen.de; Althammer, Matthias; Geprägs, Stephan; Opel, Matthias; Goennenwein, Sebastian T. B. [Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching (Germany); Gross, Rudolf [Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching (Germany); Physik-Department, Technische Universität München, 85748 Garching (Germany)

    2014-06-16

    We study the temperature dependence of the spin Hall magnetoresistance (SMR) in yttrium iron garnet/platinum hybrid structures via magnetization orientation dependent magnetoresistance measurements. Our experiments show a decrease of the SMR magnitude with decreasing temperature. Using the sensitivity of the SMR to the spin transport properties of the normal metal, we interpret our data in terms of a decrease of the spin Hall angle in platinum from 0.11 at room temperature to 0.075 at 10 K, while the spin diffusion length and the spin mixing conductance of the ferrimagnetic insulator/normal metal interface remain almost constant.

  8. Spinning superparticle

    International Nuclear Information System (INIS)

    A new theory of relativistic particle which has properties of spinning particle and superparticle simultaneously is proposed. The action for a relativistic spinless and massless particle is discussed. The spinning superparticle is considered in Lagrangian formalism and hamiltonian for it is constracted. Conclusion is made that the obtained result may be generalized for the theory of fermionic string. 11 refs

  9. First solid-state NMR analysis of uniformly ¹³C-enriched major light-harvesting complexes from Chlamydomonas reinhardtii and identification of protein and cofactor spin clusters.

    Science.gov (United States)

    Pandit, Anjali; Morosinotto, Tomas; Reus, Michael; Holzwarth, Alfred R; Bassi, Roberto; de Groot, Huub J M

    2011-04-01

    The light-harvesting complex II (LHCII) is the main component of the antenna system of plants and green algae and plays a major role in the capture of sun light for photosynthesis. The LHCII complexes have also been proposed to play a key role in the optimization of photosynthetic efficiency through the process of state 1-state 2 transitions and are involved in down-regulation of photosynthesis under excess light by energy dissipation through non-photochemical quenching (NPQ). We present here the first solid-state magic-angle spinning (MAS) NMR data of the major light-harvesting complex (LHCII) of Chlamydomonas reinhardtii, a eukaryotic green alga. We are able to identify nuclear spin clusters of the protein and of its associated chlorophyll pigments in ¹³C-¹³C dipolar homonuclear correlation spectra on a uniformly ¹³C-labeled sample. In particular, we were able to resolve several chlorophyll 13¹ carbon resonances that are sensitive to hydrogen bonding to the 13¹-keto carbonyl group. The data show that ¹³C NMR signals of the pigments and protein sites are well resolved, thus paving the way to study possible structural reorganization processes involved in light-harvesting regulation through MAS solid-state NMR. PMID:21276419

  10. Spin Hall effect-driven spin torque in magnetic textures

    KAUST Repository

    Manchon, Aurelien

    2011-07-13

    Current-induced spin torque and magnetization dynamics in the presence of spin Hall effect in magnetic textures is studied theoretically. The local deviation of the charge current gives rise to a current-induced spin torque of the form (1 - ΒM) × [(u 0 + αH u 0 M) ∇] M, where u0 is the direction of the injected current, H is the Hall angle and is the non-adiabaticity parameter due to spin relaxation. Since αH and ×can have a comparable order of magnitude, we show that this torque can significantly modify the current-induced dynamics of both transverse and vortex walls. © 2011 American Institute of Physics.

  11. Two spinning ways for precession dynamo

    Science.gov (United States)

    Cappanera, L.; Guermond, J.-L.; Léorat, J.; Nore, C.

    2016-04-01

    It is numerically demonstrated by means of a magnetohydrodynamic code that precession can trigger dynamo action in a cylindrical container. Fixing the angle between the spin and the precession axis to be 1/2 π , two limit configurations of the spinning axis are explored: either the symmetry axis of the cylinder is parallel to the spin axis (this configuration is henceforth referred to as the axial spin case), or it is perpendicular to the spin axis (this configuration is referred to as the equatorial spin case). In both cases, the centro-symmetry of the flow breaks when the kinetic Reynolds number increases. Equatorial spinning is found to be more efficient in breaking the centro-symmetry of the flow. In both cases, the average flow in the reference frame of the mantle converges to a counter-rotation with respect to the spin axis as the Reynolds number grows. We find a scaling law for the average kinetic energy in term of the Reynolds number in the axial spin case. In the equatorial spin case, the unsteady asymmetric flow is shown to be capable of sustaining dynamo action in the linear and nonlinear regimes. The magnetic field is mainly dipolar in the equatorial spin case, while it is is mainly quadrupolar in the axial spin case.

  12. Persistent Spin and Charge Currents in Open Conducting Ring Subjected to Rashba Spin-Orbit Coupling

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xi-Sua; XIONG Shi-Jie

    2008-01-01

    We investigate persistent charge and spin currents of a one-dimensional ring with Rashba spin-orbit coupling and connected asymmetrically to two external leads spanned with angle (φ)0.Because of the asymmetry of the structure and the spin-reflection,the persistent charge and spin currents can be induced.The magnification of persistent currents can be obtained when tuning the energy of incident electron to the sharp zero and sharp resonance of transmission depending on the Aharonov-Casher (AC) phase due to the spin-orbit coupling and the angle spanned by two leads (φ)0.The general dependence of the charge and spin persistent currents on these parameters is obtained.This suggests a possible method of controlling the magnitude and direction of persistent currents by tuning the AC phase and (φ)0,without the electromagnetic flux though the ring.

  13. The utility of MAS5 expression summary and detection call algorithms

    Directory of Open Access Journals (Sweden)

    Wilson Claire L

    2007-07-01

    Full Text Available Abstract Background Used alone, the MAS5.0 algorithm for generating expression summaries has been criticized for high False Positive rates resulting from exaggerated variance at low intensities. Results Here we show, with replicated cell line data, that, when used alongside detection calls, MAS5 can be both selective and sensitive. A set of differentially expressed transcripts were identified that were found to be changing by MAS5, but unchanging by RMA and GCRMA. Subsequent analysis by real time PCR confirmed these changes. In addition, with the Latin square datasets often used to assess expression summary algorithms, filtered MAS5.0 was found to have performance approaching that of its peers. Conclusion When used alongside detection calls, MAS5 is a sensitive and selective algorithm for identifying differentially expressed genes.

  14. Inverse Spin Hall Effect in NiFe / Normal Metal Bilayers

    OpenAIRE

    Obstbaum, M.; Härtinger, M.; Meier, T.; Swientek, F.; Back, C.H.; Woltersdorf, G.

    2013-01-01

    Spin pumping in ferromagnets provides a source of pure spin currents. Via the inverse spin Hall effect a spin current is converted into a charge current and a corresponding detectable DC-voltage. The ratio of injected spin current to resulting charge current is given by the spin Hall angle. However, the number of experiments more or less equals the number of different values for spin Hall angles, even for the most studied normal metal platinum. This publication provides a full study of invers...

  15. Temperature dependent spin transport properties of Platinum inferred from spin Hall magnetoresistance measurements

    OpenAIRE

    Meyer, Sibylle; Althammer, Matthias; Geprägs, Stephan; Opel, Matthias; Gross, Rudolf; Goennenwein, Sebastian T. B.

    2014-01-01

    We study the temperature dependence of the spin Hall magnetoresistance (SMR) in yttrium iron garnet/platinum hybrid structures via magnetization orientation dependent magnetoresistance measurements. Our experiments show a decrease of the SMR magnitude with decreasing temperature. Using the sensitivity of the SMR to the spin transport properties of the normal metal, we interpret our data in terms of a decrease of the spin Hall angle in platinum from 0.11 at room temperature to 0.075 at 10K, wh...

  16. Statistical approach to quantum mechanics II: Nonrelativistic spin

    OpenAIRE

    Goedecke, G. H.

    2014-01-01

    In this second paper in a series, we show that the the general statistical approach to nonrelativistic quantum mechanics developed in the first paper yields a representation of quantum spin and magnetic moments based on classical nonrelativistic spinning top models, using Euler angle coordinates. The models allow half-odd-integer spin and predict supraluminal speeds only for electrons and other leptons, which must be treated relativistically. The spin operators in the space-fixed frame satisf...

  17. A Novel Attitude Determination Algorithm for Spinning Spacecraft

    Science.gov (United States)

    Bar-Itzhack, Itzhack Y.; Harman, Richard R.

    2007-01-01

    This paper presents a single frame algorithm for the spin-axis orientation-determination of spinning spacecraft that encounters no ambiguity problems, as well as a simple Kalman filter for continuously estimating the full attitude of a spinning spacecraft. The later algorithm is comprised of two low order decoupled Kalman filters; one estimates the spin axis orientation, and the other estimates the spin rate and the spin (phase) angle. The filters are ambiguity free and do not rely on the spacecraft dynamics. They were successfully tested using data obtained from one of the ST5 satellites.

  18. Spin electronics

    CERN Document Server

    Buhrman, Robert; Daughton, James; Molnár, Stephan; Roukes, Michael

    2004-01-01

    This report is a comparative review of spin electronics ("spintronics") research and development activities in the United States, Japan, and Western Europe conducted by a panel of leading U.S. experts in the field. It covers materials, fabrication and characterization of magnetic nanostructures, magnetism and spin control in magnetic nanostructures, magneto-optical properties of semiconductors, and magnetoelectronics and devices. The panel's conclusions are based on a literature review and a series of site visits to leading spin electronics research centers in Japan and Western Europe. The panel found that Japan is clearly the world leader in new material synthesis and characterization; it is also a leader in magneto-optical properties of semiconductor devices. Europe is strong in theory pertaining to spin electronics, including injection device structures such as tunneling devices, and band structure predictions of materials properties, and in development of magnetic semiconductors and semiconductor heterost...

  19. The kinematic differences between off-spin and leg-spin bowling in cricket.

    Science.gov (United States)

    Beach, Aaron J; Ferdinands, René E D; Sinclair, Peter J

    2016-09-01

    Spin bowling is generally coached using a standard technical framework, but this practice has not been based upon a comparative biomechanical analysis of leg-spin and off-spin bowling. This study analysed the three-dimensional (3D) kinematics of 23 off-spin and 20 leg-spin bowlers using a Cortex motion analysis system to identify how aspects of the respective techniques differed. A multivariate ANOVA found that certain data tended to validate some of the stated differences in the coaching literature. Off-spin bowlers had a significantly shorter stride length (p = 0.006) and spin rate (p = 0.001), but a greater release height than leg-spinners (p = 0.007). In addition, a number of other kinematic differences were identified that were not previously documented in coaching literature. These included a larger rear knee flexion (p = 0.007), faster approach speed (p < 0.001), and flexing elbow action during the arm acceleration compared with an extension action used by most of the off-spin bowlers. Off-spin and leg-spin bowlers also deviated from the standard coaching model for the shoulder alignment, front knee angle at release, and forearm mechanics. This study suggests that off-spin and leg-spin are distinct bowling techniques, supporting the development of two different coaching models in spin bowling. PMID:27126895

  20. Reading Angles in Maps

    Science.gov (United States)

    Izard, Véronique; O'Donnell, Evan; Spelke, Elizabeth S.

    2014-01-01

    Preschool children can navigate by simple geometric maps of the environment, but the nature of the geometric relations they use in map reading remains unclear. Here, children were tested specifically on their sensitivity to angle. Forty-eight children (age 47:15-53:30 months) were presented with fragments of geometric maps, in which angle sections…

  1. Optimal reconstruction angles

    International Nuclear Information System (INIS)

    The question of optimal projection angles has recently become of interest in the field of reconstruction from projections. Here, studies are concentrated on the n x n pixel space, where literative algorithms such as ART and direct matrix techniques due to Katz are considered. The best angles are determined in a Gauss--Markov statistical sense as well as with respect to a function-theoretical error bound. The possibility of making photon intensity a function of angle is also examined. Finally, the best angles to use in an ART-like algorithm are studied. A certain set of unequally spaced angles was found to be preferred in several contexts. 15 figures, 6 tables

  2. Calculation of spin-lattice relaxation during pulsed spin locking in solids

    Science.gov (United States)

    Rhim, W.-K.; Burum, D. P.; Elleman, D. D.

    1978-01-01

    The spin-lattice relaxation time has been calculated for dipolar solids in the case where the spins are locked by an RF pulse sequence with pulses of arbitrary angle and finite width. Expressions are given for the homonuclear case in general and for the heteronuclear case in the delta-function limit. The results for the homonuclear case are experimentally confirmed using solid C6F12. The analysis shows that for small pulse angles, at which the direct spin heating effect is known to be small, the relaxation behavior will be identical to the CW irradiation case.

  3. Mas-Colell, Whinston and Green Versus Scitovsky on Profit and Utility Maximization

    OpenAIRE

    Ormazabal Sánchez, Kepa Mirena

    2005-01-01

    I contrast the theoretical foundation of profit maximization of Mas-Colell, Whinston and Green’s “Microeconomics” against that provided by Scitovsky in a paper of 1943. Whereas Mas-Colell, Whinston and Green try to show that profit maximization can be derived from utility maximization, Scitovsky categorically states the contrary view. I argue, first, that the foundation provided by Mas-Colell, Whinston and Green is not sound and, secondly, that Scitovsky’s line of reasoning opens a better way...

  4. A New Algebraic Modelling Approach to Distributed Problem-Solving in MAS

    Institute of Scientific and Technical Information of China (English)

    帅典勋; 邓志东

    2002-01-01

    This paper is devoted to a new algebraic modelling approach to distributed problem-solving in multi-agent systems (MAS), which is featured by a unified framework for describing and treating social behaviors, social dynamics and social intelligence. A conceptual architecture of algebraic modelling is presented. The algebraic modelling of typical social behaviors, social situation and social dynamics is discussed in the context of distributed problemsolving in MAS. The comparison and simulation on distributed task allocations and resource assignments in MAS show more advantages of the algebraic approach than other conventional methods.

  5. Spin control of light with hyperbolic metasurfaces

    CERN Document Server

    Yermakov, Oleh Y; Bogdanov, Andrey A; Iorsh, Ivan V; Bliokh, Konstantin Y; Kivshar, Yuri S

    2016-01-01

    Transverse spin angular momentum is an inherent feature of evanescent waves which may have applications in nanoscale optomechanics, spintronics, and quantum information technology due to the robust spin-directional coupling. Here we analyze a local spin angular momentum density of hybrid surface waves propagating along anisotropic hyperbolic metasurfaces. We reveal that, in contrast to bulk plane waves and conventional surface plasmons at isotropic interfaces, the spin of the hybrid surface waves can be engineered to have an arbitrary angle with the propagation direction. This property allows to tailor directivity of surface waves via the magnetic control of the spin projection of quantum emitters, and it can be useful for optically controlled spin transfer.

  6. Spin-polarized spin-orbit-split quantum-well states in a metal film

    Energy Technology Data Exchange (ETDEWEB)

    Varykhalov, Andrei; Sanchez-Barriga, Jaime; Gudat, Wolfgang; Eberhardt, Wolfgang; Rader, Oliver [BESSY Berlin (Germany); Shikin, Alexander M. [St. Petersburg State University (Russian Federation)

    2008-07-01

    Elements with high atomic number Z lead to a large spin-orbit coupling. Such materials can be used to create spin-polarized electronic states without the presence of a ferromagnet or an external magnetic field if the solid exhibits an inversion asymmetry. We create large spin-orbit splittings using a tungsten crystal as substrate and break the structural inversion symmetry through deposition of a gold quantum film. Using spin- and angle-resolved photoelectron spectroscopy, it is demonstrated that quantum-well states forming in the gold film are spin-orbit split and spin polarized up to a thickness of at least 10 atomic layers. This is a considerable progress as compared to the current literature which reports spin-orbit split states at metal surfaces which are either pure or covered by at most a monoatomic layer of adsorbates.

  7. Photoelectric angle converter

    Science.gov (United States)

    Podzharenko, Volodymyr A.; Kulakov, Pavlo I.

    2001-06-01

    The photo-electric angle transmitter of rotation is offered, at which the output voltage is linear function of entering magnitude. In a transmitter the linear phototransducer is used on the basis of pair photo diode -- operating amplifier, which output voltage is linear function of the area of an illuminated photosensitive stratum, and modulator of a light stream of the special shape, which ensures a linear dependence of this area from an angle of rotation. The transmitter has good frequent properties and can be used for dynamic measurements of an angular velocity and angle of rotation, in systems of exact drives and systems of autocontrol.

  8. Widespread spin polarization effects in photoemission from topological insulators

    Energy Technology Data Exchange (ETDEWEB)

    Jozwiak, C.; Chen, Y. L.; Fedorov, A. V.; Analytis, J. G.; Rotundu, C. R.; Schmid, A. K.; Denlinger, J. D.; Chuang, Y.-D.; Lee, D.-H.; Fisher, I. R.; Birgeneau, R. J.; Shen, Z.-X.; Hussain, Z.; Lanzara, A.

    2011-06-22

    High-resolution spin- and angle-resolved photoemission spectroscopy (spin-ARPES) was performed on the three-dimensional topological insulator Bi{sub 2}Se{sub 3} using a recently developed high-efficiency spectrometer. The topological surface state's helical spin structure is observed, in agreement with theoretical prediction. Spin textures of both chiralities, at energies above and below the Dirac point, are observed, and the spin structure is found to persist at room temperature. The measurements reveal additional unexpected spin polarization effects, which also originate from the spin-orbit interaction, but are well differentiated from topological physics by contrasting momentum and photon energy and polarization dependencies. These observations demonstrate significant deviations of photoelectron and quasiparticle spin polarizations. Our findings illustrate the inherent complexity of spin-resolved ARPES and demonstrate key considerations for interpreting experimental results.

  9. Spin-Orbit induced semiconductor spin guides

    OpenAIRE

    Valin-Rodriguez, Manuel; Puente, Antonio; Serra, Llorens

    2002-01-01

    The tunability of the Rashba spin-orbit coupling allows to build semiconductor heterostructures with space modulated coupling intensities. We show that a wire-shaped spin-orbit modulation in a quantum well can support propagating electronic states inside the wire only for a certain spin orientation and, therefore, it acts as an effective spin transmission guide for this particular spin orientation.

  10. The effect of FF-MAS on porcine cumulus-oocyte complex maturation, fertilization and pronucleus formation in vitro

    DEFF Research Database (Denmark)

    Færge, Inger; Strejcek, Frantisek; Laurincik, Jozef;

    2006-01-01

    Follicular fluid meiosis-activating sterol (FF-MAS) has been isolated from the follicular fluid (FF) of several species including man. FF-MAS increases the quality of in vitro oocyte maturation, and thus the developmental potential of oocytes exposed to FF-MAS during in vitro maturaion is improve...

  11. Cassini's Maneuver Automation Software (MAS) Process: How to Successfully Command 200 Navigation Maneuvers

    Science.gov (United States)

    Yang, Genevie Velarde; Mohr, David; Kirby, Charles E.

    2008-01-01

    To keep Cassini on its complex trajectory, more than 200 orbit trim maneuvers (OTMs) have been planned from July 2004 to July 2010. With only a few days between many of these OTMs, the operations process of planning and executing the necessary commands had to be automated. The resulting Maneuver Automation Software (MAS) process minimizes the workforce required for, and maximizes the efficiency of, the maneuver design and uplink activities. The MAS process is a well-organized and logically constructed interface between Cassini's Navigation (NAV), Spacecraft Operations (SCO), and Ground Software teams. Upon delivery of an orbit determination (OD) from NAV, the MAS process can generate a maneuver design and all related uplink and verification products within 30 minutes. To date, all 112 OTMs executed by the Cassini spacecraft have been successful. MAS was even used to successfully design and execute a maneuver while the spacecraft was in safe mode.

  12. BOREAS Level-1B MAS Imagery At-sensor Radiance, Relative X and Y Coordinates

    Science.gov (United States)

    Strub, Richard; Strub, Richard; Newcomer, Jeffrey A.; Ungar, Stephen

    2000-01-01

    For BOReal Ecosystem-Atmosphere Study (BOREAS), the MODIS Airborne Simulator (MAS) images, along with the other remotely sensed data, were collected to provide spatially extensive information over the primary study areas. This information includes detailed land cover and biophysical parameter maps such as fraction of Photosynthetically Active Radiation (fPAR) and Leaf Area Index (LAI). Collection of the MAS images occurred over the study areas during the 1994 field campaigns. The level-1b MAS data cover the dates of 21-Jul-1994, 24-Jul-1994, 04-Aug-1994, and 08-Aug-1994. The data are not geographically/geometrically corrected; however, files of relative X and Y coordinates for each image pixel were derived by using the C-130 INS data in a MAS scan model. The data are provided in binary image format files.

  13. Nonadiabatic Geometric Angle in Nuclear Magnetic Resonance Connection

    OpenAIRE

    Cherbal, Omar; Maamache, Mustapha; Drir, Mahrez

    2005-01-01

    By using the Grassmannian invariant-angle coherents states approach, the classical analogue of the Aharonov-Anandan nonadiabatic geometrical phase is found for a spin one-half in Nuclear Magnetic Resonance (NMR). In the adiabatic limit, the semi-classical relation between the adiabatic Berry’s phase and Hannay’s angle gives exactly the experimental result observed by Suter et al[12].

  14. Spin-spin correlations of entangled qubit pairs in the Bohm interpretation of quantum mechanics

    CERN Document Server

    Ramsak, A

    2012-01-01

    A general entangled qubit pair is analyzed in the de Broglie-Bohm formalism corresponding to two spin-1/2 quantum rotors. Several spin-spin correlators of Bohm's hidden variables are analyzed numerically and a detailed comparison with results obtained by standard quantum mechanics is outlined. In addition to various expectation values the Bohm interpretation allows also a study of the corresponding probability distributions, which enables a novel understanding of entangled qubit dynamics. In particular, it is shown how the angular momenta of two qubits in this formalism can be viewed geometrically and characterized by their relative angles. For perfectly entangled pairs, for example, a compelling picture is given, where the qubits exhibit a unison precession making a constant angle between their angular momenta. It is also demonstrated that the properties of standard quantum mechanical spin-spin correlators responsible for the violation of Bell's inequalities are identical to their counterparts emerging from ...

  15. Phase angle measurement techniques

    Energy Technology Data Exchange (ETDEWEB)

    Madge, R.; Fischer, D.

    1996-01-01

    Real-time measure of the power transfer across a transmission line was discussed. Phase angle measurement techniques, algorithms and applications relevant to power utilities were assessed. Phase-based applications compute the voltage angle difference between two stations, thereby allowing for power transfer calculations and power system control applications. A list of phase angle measurement applications was provided. It includes frequency measurement, state estimation, adaptive relaying, power system control, system restoration, real power flow monitoring and stability assessment, reactive power requirements monitoring, HVDC modulation, subsynchronous resonance, sequence of event recording, and loss reduction and fault location. The optimum timing requirement was determined for each application. Among the timing systems available today, the Global Positioning System (GPS), supported by powerful computers and other custom hardware, is the only tool that can provide the accuracy and coverage needed by today`s power system applications. Commercially available equipment for phase angle measurements was also reviewed. 30 refs., 32 tabs., 5 figs.

  16. A New Spin on Photoemission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jozwiak, Chris [Univ. of California, Berkeley, CA (United States)

    2008-12-01

    The electronic spin degree of freedom is of general fundamental importance to all matter. Understanding its complex roles and behavior in the solid state, particularly in highly correlated and magnetic materials, has grown increasingly desirable as technology demands advanced devices and materials based on ever stricter comprehension and control of the electron spin. However, direct and efficient spin dependent probes of electronic structure are currently lacking. Angle Resolved Photoemission Spectroscopy (ARPES) has become one of the most successful experimental tools for elucidating solid state electronic structures, bolstered by-continual breakthroughs in efficient instrumentation. In contrast, spin-resolved photoemission spectroscopy has lagged behind due to a lack of similar instrumental advances. The power of photoemission spectroscopy and the pertinence of electronic spin in the current research climate combine to make breakthroughs in Spin and Angle Resolved Photoemission Spectroscopy (SARPES) a high priority . This thesis details the development of a unique instrument for efficient SARPES and represents a radical departure from conventional methods. A custom designed spin polarimeter based on low energy exchange scattering is developed, with projected efficiency gains of two orders of magnitude over current state-of-the-art polarimeters. For energy analysis, the popular hemispherical analyzer is eschewed for a custom Time-of-Flight (TOF) analyzer offering an additional order of magnitude gain in efficiency. The combined instrument signifies the breakthrough needed to perform the high resolution SARPES experiments necessary for untangling the complex spin-dependent electronic structures central to today's condensed matter physics.

  17. DYNAMO-MAS: a multi-agent system for ontology evolution from text

    OpenAIRE

    Sellami, Zied; Camps, Valérie; Aussenac-Gilles, Nathalie

    2013-01-01

    International audience Manual ontology development and evolution are complex and time-consuming tasks, even when textual documents are used as knowledge sources in addition to human expertise or existing ontologies. Processing natural language in text produces huge amounts of linguistic data that need to be filtered out and structured. To support both of these tasks, we have developed DYNAMO-MAS, an interactive tool based on an adaptive multi-agent system (adaptive MAS or AMAS) that builds...

  18. Reducing galvanomagnetic effects in spin pumping measurement with Co75Fe25 as a spin injector

    International Nuclear Information System (INIS)

    We have investigated dc voltage generation induced by ferromagnetic resonance in a Co75Fe25/Pt film. In order to reduce rectification effects of anisotropic magnetoresistance and the planar Hall effect, which may be observed simultaneously with the inverse spin Hall effect, we selected Co75Fe25 with extremely small anisotropic magnetoresistance as a spin injector. Using the difference in the spectral shape of voltage and in the angle dependence of in-plane magnetization among the effects, we demonstrated that the generated dc voltage is governed by the inverse spin Hall effect induced by spin pumping

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  20. Open Spin Chain and Open Spinning String

    OpenAIRE

    CHEN Bin; Wang, Xiao-Jun; Wu, Yong-Shi

    2004-01-01

    In this letter, we study the open spinning strings and their SYM duals. A new class of folded open spinning strings is found. At planar one-loop level in SYM, by solving the thermodynamic limit of the Bethe ansatz equations for an integrable open spin chain, we find good agreement with string theory predictions for energies of both circular and folded two-spin solutions. A universal relation between the open and closed spinning strings is verified in the spin chain approach.

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

    Institute of Scientific and Technical Information of China (English)

    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.

  2. Spin dependent 2D electron scattering by nanomagnets

    International Nuclear Information System (INIS)

    The 2D scattering problem of an electron by a magnetized nanoparticle is solved in the Born approximation with account of the dipole-dipole interaction of the magnetic moments of electron and nanomagnet. The scattering amplitudes in this problem are the two-component spinors. They are obtained as functions of the electron spin orientation, the electron energy and show anisotropy in scattering angle. The initially polarized beam of electrons scattered by the nanomagnet consists of electrons with no spin flipped and spin flipped. The majority of electrons with no spin flipped are scattered by small angles. The majority electrons with spin flipped are scattered in the vicinity of the scattering angles π/2 and 3π/2. This can be used as one more method of controlling the spin currents. - Research highlights: → The artificial namomagnets with gigantic magnetic moments strongly interact with spins of electrons. → In 2D geometry this interaction controls the electron-nanomagnet scattering. → The scattering amplitudes are two-component spinors. → The scattering lengths depend on orientation of magnetic moment of the nanomagnet, the electron spin, and the scattering angle. → This dependence can be used for controlling the spin currents.

  3. Interference Spins

    DEFF Research Database (Denmark)

    Popovski, Petar; Simeone, Osvaldo; Nielsen, Jimmy Jessen;

    2015-01-01

    traffic load and interference condition leads to performance gains. In this letter, a general network of multiple interfering two-way links is studied under the assumption of a balanced load in the two directions for each link. Using the notion of interference spin, we introduce an algebraic framework for...

  4. Spin-dependent tunneling through a spin precession quantum dot%通过自旋进动量子点自旋相关的隧穿

    Institute of Scientific and Technical Information of China (English)

    张爱芳; 辛子华; 宋红岩; 吴留坡; 施耀铭

    2008-01-01

    Spin-polarized transport through a processing magnetic spin coupled to ferromagnetic electrodes is studied usinga non-equilibrium Green's function approach. The characteristic of conductance is obtained at zero temperature. We findthat competition between spin-exchange interaction on the spin site and spin-orbit interaction in the barriers dominates theresonant behavior of conductance. In a parallel configuration, conductance peaks have identical amplitude. With the angle θincreasing, the width of resonant peaks is broadened or narrowed for different spin coherent states. In an anti-parallel case,spin-flip tunneling in the barriers will essentially enhance amplitude of the conductance peak.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    International Nuclear Information System (INIS)

    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.

  7. Mixing angle of doubly heavy baryons in QCD

    International Nuclear Information System (INIS)

    We calculate the mixing angles between the spin-1/2, Ξbc-Ξbc′ and Ωbc-Ωbc′ states of doubly heavy baryons within the QCD sum rules method. It is found that the mixing angles are large and have the values φΞbc=16°±5° and φΩbc=18°±6°, respectively. The mixing angles are slightly smaller compared to the predictions of the non-relativistic quark model, φΞbc=25.5° and φΩbc=25.9°.

  8. Heating of samples induced by high speed magic angle spinning

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří

    Leipzig: University of Leipzig, 2000. s. 38. [European Experimental NMR Conference /15./. 12.06.2000-17.06.2000, Leipzig] R&D Projects: GA ČR GA203/98/P290 Subject RIV: CD - Macromolecular Chemistry http://eenc.uni-leipzig.de

  9. Spin current transport in ceramic: TiN thin film

    Science.gov (United States)

    An, Hongyu; Kanno, Yusuke; Tashiro, Takaharu; Nakamura, Yoshio; Shi, Ji; Ando, Kazuya

    2016-03-01

    The spin current transport property in a ceramic material TiN has been investigated at room temperature. By attaching TiN thin films on Ni20Fe80 with different thicknesses of TiN, the spin pumping experiment has been conducted, and the spin diffusion length in TiN was measured to be around 43 nm. Spin-torque ferromagnetic resonance has also been taken to investigate the spin Hall angle of TiN, which was estimated to be around 0.0052. This study on ceramic material provides a potential selection in emerging materials for spintronics application.

  10. Spin accumulation in triplet Josephson junction

    International Nuclear Information System (INIS)

    We employ a Hamiltonian method to study the equal-spin pairing triplet Josephson junction with different orbital symmetries of pair potentials. Both the spin/charge supercurrent and possible spin accumulation at the interface of the junction are analyzed by means of the Keldysh Green's function. It is found that a spontaneous angle-resolved spin accumulation can form at the junction's interface when the orbital symmetries of Cooper pairs in two triplet superconductors are different, the physical origin is the combined effect of the different orbital symmetries and different spin states of Cooper pairs due to the misalignment of two d vectors in triplet leads. An abrupt current reversal effect induced by misalignment of d vectors is observed and can survive in a strong interface barrier scattering because the zero-energy state appears at the interface of the junction. These properties of the p-wave Josephson junction may be helpful for identifying the order parameter symmetry.

  11. Spin-dependent ion scattering on bismuth surfaces

    International Nuclear Information System (INIS)

    We studied low-energy (∼1.5 keV) spin-polarized 4He+ ion scattering on Bi(111) ultrathin films epitaxially grown on a Si(111) substrate. Even though Bi is a non-magnetic element, we observed that the scattered ion intensity differed between the incident He+ ions with up and down spins, i.e., a spin asymmetric scattering. The spin asymmetry was not affected by the surface structure but depended on the scattering angle and the incident energy. These data indicate that the spin asymmetry originates from the spin-orbit coupling that acts transiently on the He+ 1s electron spin in the binary collision and the resonant electron transfer between 4He+ ions and Bi electronic orbitals possibly alters the behavior of the spin asymmetry compared to established models. (author)

  12. Adapting a compact Mott spin polarimeter to a large commercial electron energy analyzer for spin-polarized electron spectroscopy

    Science.gov (United States)

    Huang, Di-Jing; Lee, Jae-Yong; Suen, Jih-Shih; Mulhollan, G. A.; Andrews, A. B.; Erskine, J. L.

    1993-12-01

    A modified Rice University-type compact Mott spin polarimeter operating at 20 kV is adapted to a large commerical hemispherical electron energy analyzer. Normal energy analyzer functions are preserved via a retractable channeltron in the polarimeter acceleration column. In the spin-detection mode, the polarimeter permits analysis of two orthogonal transverse spin-polarization components. Electron trajectory analysis is used to optimize polarimeter lens column voltages in both normal and spin-detection modes. Performance levels are established by experiments and significantly improved spin-detection efficiency is shown to be accessible by changes in the polarimeter collection solid angle.

  13. Phase Structure of Higher Spin Black Hole

    CERN Document Server

    Chen, Bin; Wang, Yi-Nan

    2013-01-01

    In this paper, we investigate the phase structures of the black holes with one single higher spin hair, focusing specifically on the spin 3 and spin tilde 4 black holes. Based on dimensional analysis and the requirement of having consistent thermodynamics, we derive an universal formula relating the entropy and the conserved charges for arbitrary AdS3 higher spin black holes. Then we use it to study the phase structure of the higher spin black holes. We find that there are six branches of solutions in the spin 3 gravity, eight branches of solutions in the spin tilde 4 gravity and twelve branches of solutions in the G2 gravity. In each case, all branches are related by a simple angle shift in the entropy functions. In the spin 3 case, we reproduce all the results found before. In the spin tilde 4 case, we find that in the low temperature it is at the BTZ branch while in the high temperature it transits to one of two other branches, depending on the signature of the chemical potential, a reflection of charge co...

  14. Doppler effect induced spin relaxation boom

    Science.gov (United States)

    Zhao, Xinyu; Huang, Peihao; Hu, Xuedong

    2016-03-01

    We study an electron spin qubit confined in a moving quantum dot (QD), with our attention on both spin relaxation, and the product of spin relaxation, the emitted phonons. We find that Doppler effect leads to several interesting phenomena. In particular, spin relaxation rate peaks when the QD motion is in the transonic regime, which we term a spin relaxation boom in analogy to the classical sonic boom. This peak indicates that a moving spin qubit may have even lower relaxation rate than a static qubit, pointing at the possibility of coherence-preserving transport for a spin qubit. We also find that the emitted phonons become strongly directional and narrow in their frequency range as the qubit reaches the supersonic regime, similar to Cherenkov radiation. In other words, fast moving excited spin qubits can act as a source of non-classical phonons. Compared to classical Cherenkov radiation, we show that quantum dot confinement produces a small but important correction on the Cherenkov angle. Taking together, these results have important implications to both spin-based quantum information processing and coherent phonon dynamics in semiconductor nanostructures.

  15. The development of the ProMAS: a Probabilistic Medication Adherence Scale

    Directory of Open Access Journals (Sweden)

    Kleppe M

    2015-03-01

    Full Text Available Mieke Kleppe,1,2 Joyca Lacroix,2 Jaap Ham,1 Cees Midden1 1Human Technology Interaction, Eindhoven University of Technology, Eindhoven, the Netherlands; 2Behavior, Cognition and Perception, Philips Research, Eindhoven, the Netherlands Abstract: Current self-report medication adherence measures often provide heavily skewed results with limited variance, suggesting that most participants are highly adherent. This contrasts with findings from objective adherence measures. We argue that one of the main limitations of these self-report measures is the limited range covered by the behaviors assessed. That is, the items do not match the adherence behaviors that people perform, resulting in a ceiling effect. In this paper, we present a new self-reported medication adherence scale based on the Rasch model approach (the ProMAS, which covers a wide range of adherence behaviors. The ProMAS was tested with 370 elderly receiving medication for chronic conditions. The results indicated that the ProMAS provided adherence scores with sufficient fit to the Rasch model. Furthermore, the ProMAS covered a wider range of adherence behaviors compared to the widely used Medication Adherence Report Scale (MARS instrument, resulting in more variance and less skewness in adherence scores. We conclude that the ProMAS is more capable of discriminating between people with different adherence rates than the MARS. Keywords: questionnaire design, probabilistic models, methodology

  16. The quadriceps angle

    DEFF Research Database (Denmark)

    Miles, James Edward; Frederiksen, Jane V.; Jensen, Bente Rona;

    2012-01-01

    : Pelvic limbs from red foxes (Vulpes vulpes). METHODS: Q angles were measured on hip dysplasia (HD) and whole limb (WL) view radiographs of each limb between the acetabular rim, mid-point (Q1: patellar center, Q2: femoral trochlea), and tibial tuberosity. Errors of 0.5-2.0 mm at measurement landmarks...

  17. Yaw Angle Demonstration

    Science.gov (United States)

    1994-01-01

    The Large Angle Magnetic Suspension Test Fixture (LAMSTF) is a 5 degree-of -freedom repulsive force magnetic suspension system designed to study the control of objects over large magnetic gaps. A digital control algorithm uses 6 sets of laser-sheet sensors and 5 control coils to position a cylinder 3' above the plane of electromagnetics

  18. The lateral angle revisited

    DEFF Research Database (Denmark)

    Morgan, Jeannie; Lynnerup, Niels; Hoppa, R.D.

    2013-01-01

    measurements taken from computed tomography (CT) scans. Previous reports have observed that the lateral angle size in females is significantly larger than in males. The method was applied to an independent series of 77 postmortem CT scans (42 males, 35 females) to validate its accuracy and reliability. The...

  19. Spin-flip scattering effect on the current-induced spin torque in ferromagnet-insulator-ferromagnet tunnel junctions

    International Nuclear Information System (INIS)

    We have investigated the current-induced spin transfer torque of a ferromagnet-insulator-ferromagnet tunnel junction by taking the spin-flip scatterings into account. It is found that the spin-flip scattering can induce an additional spin torque, enhancing the maximum of the spin torque and giving rise to an angular shift compared to the case when the spin-flip scatterings are neglected. The effects of the molecular fields of the left and right ferromagnets on the spin torque are also studied. It is found that τRx/Ie (τRx is the spin-transfer torque acting on the right ferromagnet and Ie is the tunneling electrical current) does vary with the molecular fields. At two certain angles, τRx/Ie is independent of the molecular field of the right ferromagnet, resulting in two crossing points in the curve of τRx/Ie versus the relevant orientation for different molecular fields

  20. Structural analysis of a signal peptide inside the ribosome tunnel by DNP MAS NMR.

    Science.gov (United States)

    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

  1. Maneuver analysis for spinning thrusting spacecraft and spinning tethered spacecraft

    Science.gov (United States)

    Martin, Kaela M.

    During axial thrusting of a spin-stabilized spacecraft undergoing orbital injections or control maneuvers, misalignments and center-of-mass offset create undesired body-fixed torques. The effects of the body-fixed torques, which in turn cause velocity pointing errors, can be reduced by ramping up (and then ramping down) the thruster. The first topic discussed in this thesis derives closed-form solutions for the angular velocity, Euler angles, inertial velocity, and inertial displacement solutions with nonzero initial conditions. Using the closed-form solutions, the effect of variations in the spin-axis moment of inertia and spin-rate on the spacecraft velocity pointing error are shown. The analytical solutions closely match numerical simulations. The next topic considers various ramp-up profiles (including parabolic, cosine, logarithmic, exponential, and cubic) to heuristically find a suboptimal solution to reduce the velocity pointing error. Some of the considered cosine, logarithmic, exponential, parabolic, and cubic profiles drive the velocity pointing error to nearly zero and hence qualify as effective solutions. The third topic examines a large tethered spacecraft that produces artificial gravity with the propulsion system on one end of the tether. Instead of thrusting through the center of mass, the offset thrust occurs at an angle to the tether which is held in the desired direction by changing the spin rate to compensate for decreasing propellant mass. The dynamics and control laws of the system are derived for constant, time-varying, planar, and non-planar thrust as well as spin-up maneuvers. The final topic discusses how the Bodewadt solution of a self-excited rigid body is unable to accurately predict the motion compared to a numerical integration of the equations of motion.

  2. Spinning Solitons of a Modified Non-Linear Schroedinger equation

    CERN Document Server

    Brihaye, Y; Zakrzewski, W J; Brihaye, Yves; Hartmann, Betti; Zakrzewski, Wojtek J.

    2003-01-01

    We study soliton solutions of a modified non-linear Schroedinger (MNLS) equation. Using an Ansatz for the time and azimuthal angle dependence previously considered in the studies of the spinning Q-balls, we construct multi-node solutions of MNLS as well as spinning generalisations.

  3. Spinning solitons of a modified nonlinear Schroedinger equation

    International Nuclear Information System (INIS)

    We study soliton solutions of a modified nonlinear Schroedinger (MNLS) equation. Using an ansatz for the time and azimuthal angle dependence previously considered in the studies of the spinning Q balls, we construct multinode solutions of the MNLS equation as well as spinning generalizations

  4. Uncovering the features of spin dynamics in hadronic physics

    International Nuclear Information System (INIS)

    We summarize the program pursued by Michael J. Moravicsik and the authors on spin amplitude analyses and interpretation. We present the recent observations that 'phase histograms' reveal striking peaks corresponding to spin amplitudes that tend to have definite simple phase relations. An interpretation is proposed in which the spin amplitudes receive a coherent and an incoherent contribution over large ranges of energies and angles. Continuing research directions are reported. (Authors)

  5. Uncovering the features of spin dynamics in hadronic physics

    Science.gov (United States)

    Goldstein, G. R.; Arash, F.

    1990-06-01

    We summarize the program pursued by Michael J. Moravcsik and the authors on spin amplitude analyses and interpretation. We present the recent observations that “phase histograms” reveal striking peaks corresponding to spin amplitudes that tend to have definite simple phase relations. An interpretation is proposed in which the spin amplitudes receive a coherent and an incoherent contribution over large ranges of energies and angles. Continuing research directions are reported.

  6. Spin Texture in Type-II Weyl Semimetal WTe2

    OpenAIRE

    Feng, Baojie; Chan, Yang-hao; Feng, Ya; Liu, Ro-Ya; Chou, Mei-Yin; Kuroda, Kenta; Yaji, Koichiro; Harasawa, Ayumi; Moras, Paolo; Barinov, Alexei; Malaeb, Walid G.; Bareille, Cedric; Kondo, Takeshi; Shin, Shik; Komori, Fumio

    2016-01-01

    We determine the band structure and spin texture of WTe2 by spin- and angle-resolved photoemission spectroscopy (SARPES). With the support of first-principles calculations, we reveal the non-trivial spin texture of both the Fermi arc surface states and bulk Fermi pockets. Our results validate WTe2 as a type-II Weyl semimetal in a direct way and provide crucial information to understand the extremely large and non-saturating magnetoresistance.

  7. Exchange cotunneling through quantum dots with spin-orbit coupling

    DEFF Research Database (Denmark)

    Paaske, Jens; Andersen, Andreas; Flensberg, Karsten

    2010-01-01

    We investigate the effects of spin-orbit interaction (SOI) on the exchange cotunneling through a spinful Coulomb blockaded quantum dot. In the case of zero magnetic field, Kondo effect is shown to take place via a Kramers doublet and the SOI will merely affect the Kondo temperature. In contrast, we...... angle dependence of finite-field cotunneling spectroscopy thus provides valuable information about orbital and spin degrees of freedom and their mutual coupling....

  8. Technology Enhanced Learning for People with Intellectual Disabilities and Cerebral Paralysis: The MAS Platform

    Science.gov (United States)

    Colomo-Palacios, Ricardo; Paniagua-Martín, Fernando; García-Crespo, Ángel; Ruiz-Mezcua, Belén

    Education for students with disabilities now takes place in a wide range of settings, thus, including a wider range of assistive tools. As a result of this, one of the most interesting application domains of technology enhanced learning is related to the adoption of learning technologies and designs for people with disabilities. Following this unstoppable trend, this paper presents MAS, a software platform aimed to help people with severe intellectual disabilities and cerebral paralysis in their learning processes. MAS, as a technology enhanced learning platform, provides several tools that supports learning and monitoring for people with special needs, including adaptative games, data processing and monitoring tools. Installed in a special needs education institution in Madrid, Spain, MAS provides special educators with a tool that improved students education processes.

  9. CIP spin torque effect in the spin valve pinned with an oxide antiferromagnetic layer

    International Nuclear Information System (INIS)

    Spin valve Ni0.85Co0.15O/Co85Fe15/Cu/Co85Fe15 was manufactured by a RF magnetron sputtering system. M(H) and R(H) characteristics of the spin valve were measured in CIP configuration at room temperature has a magnetoresistance ratio of about 8% and a high exchange bias at room temperature. The current density and angle between the applied magnetic field and injection current were changed in an aim to observe their effects on MR and exchange bias of the spin valve. The current density and angle strongly affect MR and exchange bias. Both MR and exchange bias clearly decrease in dependence of the current density and direction of the magnetic field. It is supposed to be related with a current-induced spin torque in device.

  10. Dibujo y pensamiento en la obra de Rafael Masó

    OpenAIRE

    Marañón González, Rafael Carlos

    2002-01-01

    Rafael Masó, arquitecto noucentista, es además, el artista adecuado para el análisis de una obra totalmente gráfica.Dibujos, escritos, gráficos y bocetos, son los elementos idóneos para que las ideas sobre la expresión gráfica, queden reflejados en esta Tesis Doctoral.Para conocer su obra gráfica, es necesario llegar a lo más profundo de sus pensamientos transmitidos por historiadores y la Familia Masó. Tanto su obra arquitectónica, como sus dibujos, son conocidos por expertos y estudiosos ...

  11. Learning by observing: information spillovers in the execution and valuation of commercial bank M&As

    OpenAIRE

    Gayle DeLong; Robert DeYoung

    2004-01-01

    We hypothesize that banks become better able to manage acquisitions, and investors become better able to value those acquisitions, as these parties ‘learn-by-observing’ information that spills-over from previous bank M&As. We find evidence consistent with these hypotheses for 216 M&As of large, publicly traded U.S. commercial banks between 1987 and 1999. Our theory and our results are predicated on the idea that acquisitions of large and increasingly complex commercial banks were a relatively...

  12. Large Piwinski angle

    CERN Document Server

    Abelleira, J L; Bhat, C; Cornelis, K; De Maria, R; Fartoukh, S; Giachino, R; Holzer, E B; Lamont, M; Mastoridis, T; Macpherson, A; Papotti, G; Pieloni, T; Roncarolo, F; Roy, G; Salvachua, B; Valuch, D; Zimmermann, F; Ohmi, K

    2012-01-01

    Two high brightness bunches per beam were collided at injection energy with varying spectrometer strength in IP8 so that the corresponding Piwinski angle changed from about 1.2–1.3 to 0.2. One of the two bunches colliding in IP8 also collided in IPs 1 and 5, increasing its tune spread. A Piwinski angle of 1.2 is the biggest value ever achieved in a hadron collider. The goal of this experiemnt had been to investigate the influence of this parameter on the luminosity lifetime, beam lifetime and emittance growth rate. Due to technical problems and unavailability of luminosity signals from CMS this goal was only partially accomplished.

  13. Giant Spin Pumping and Inverse Spin Hall Effect in the Presence of Surface and Bulk Spin-Orbit Coupling of Topological Insulator Bi2Se3.

    Science.gov (United States)

    Jamali, Mahdi; Lee, Joon Sue; Jeong, Jong Seok; Mahfouzi, Farzad; Lv, Yang; Zhao, Zhengyang; Nikolić, Branislav K; Mkhoyan, K Andre; Samarth, Nitin; Wang, Jian-Ping

    2015-10-14

    Three-dimensional (3D) topological insulators are known for their strong spin-orbit coupling (SOC) and the existence of spin-textured surface states that might be potentially exploited for "topological spintronics." Here, we use spin pumping and the inverse spin Hall effect to demonstrate successful spin injection at room temperature from a metallic ferromagnet (CoFeB) into the prototypical 3D topological insulator Bi2Se3. The spin pumping process, driven by the magnetization dynamics of the metallic ferromagnet, introduces a spin current into the topological insulator layer, resulting in a broadening of the ferromagnetic resonance (FMR) line width. Theoretical modeling of spin pumping through the surface of Bi2Se3, as well as of the measured angular dependence of spin-charge conversion signal, suggests that pumped spin current is first greatly enhanced by the surface SOC and then converted into a dc-voltage signal primarily by the inverse spin Hall effect due to SOC of the bulk of Bi2Se3. We find that the FMR line width broadens significantly (more than a factor of 5) and we deduce a spin Hall angle as large as 0.43 in the Bi2Se3 layer. PMID:26367103

  14. Why are angles misperceived?

    OpenAIRE

    Nundy, Surajit; Lotto, Beau; Coppola, David; Shimpi, Amita; Purves, Dale

    2000-01-01

    Although it has long been apparent that observers tend to overestimate the magnitude of acute angles and underestimate obtuse ones, there is no consensus about why such distortions are seen. Geometrical modeling combined with psychophysical testing of human subjects indicates that these misperceptions are the result of an empirical strategy that resolves the inherent ambiguity of angular stimuli by generating percepts of the past significance of the stimulus rather than the geometry of its re...

  15. Angle states in quantum mechanics

    Science.gov (United States)

    de la Torre, A. C.; Iguain, J. L.

    1998-12-01

    Angle states and angle operators are defined for a system with arbitrary angular momentum. They provide a reasonable formalization of the concept of angle provided that we accept that the angular orientation is quantized. The angle operator is the generator of boosts in angular momentum and is, almost everywhere, linearly related to the logarithm of the shift operator. Angle states for fermions and bosons behave differently under parity transformation.

  16. Spin injection into semiconductors

    Science.gov (United States)

    Oestreich, M.; Hübner, J.; Hägele, D.; Klar, P. J.; Heimbrodt, W.; Rühle, W. W.; Ashenford, D. E.; Lunn, B.

    1999-03-01

    The injection of spin-polarized electrons is presently one of the major challenges in semiconductor spin electronics. We propose and demonstrate a most efficient spin injection using diluted magnetic semiconductors as spin aligners. Time-resolved photoluminescence with a Cd0.98Mn0.02Te/CdTe structure proves the feasibility of the spin-alignment mechanism.

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

    Science.gov (United States)

    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

  18. Spin Canting and Transverse Relaxation at Surfaces and in the Interior of Ferrimagnetic Particles

    DEFF Research Database (Denmark)

    Mørup, Steen

    Analytical expressions for the magnetic energy and the spin-canting angles in some simple ferrimagnetic bulk and surface structures are presented. It is shown that the energy barriers separating different spin-canted states often will be very small. Therefore, the spin canting may be static only ...

  19. Spin-spin correlations in the reaction NN → NNπ at intermediate energies

    International Nuclear Information System (INIS)

    Spin-spin correlations and depolarisation parameters are predicted for the reaction pp → npπ+ in the geometry for exclusive, in-plane kinematics. Calculations are based on a relativistic and unitary three-body isobar model (described elsewhere). The partial-wave isobar amplitudes are found by solving coupled Blankenbecler-Sugar integral equations with one-pion-exchange driving terms. Results are presented for several proton-pion angle pairs at Tsub(lab) = 800 MeV and, for one angle pair, also at Tsub(lab) = 500 and 1200 MeV. (author)

  20. Spin noise in mixed Spin Systems

    Science.gov (United States)

    Bauch, Erik; Junghyun, Paul; Singh, Swati; Devakul, Trithep; Feguin, Adrian; Hart, Connor; Walsworth, Ronald

    2016-05-01

    The spin noise due to interaction of multiple spin species in mixed spin systems provides a fundamental limit to ultra-sensitive ensemble sensing and quantum information applications. In our work, we investigate the interaction of dense nuclear 13C spins with electronic nitrogen spins using Nitrogen-Vacancy centers in diamond. Our work shows experimentally and theoretically, that under certain conditions, spin noise is greatly suppressed and the coherence time of NV centers improved by order of magnitudes, providing a pathway to engineering high density ensemble samples with long coherence times at room temperature.

  1. Rotation of the swing plane of Foucault's pendulum and Thomas spin precession: Two faces of one coin

    CERN Document Server

    Krivoruchenko, M I

    2008-01-01

    Using elementary geometric tools, we derive essentially in the same way expressions for rotation angle of the swing plane of Foucault's pendulum and rotation angle of spin of relativistic particle moving along circular orbit (Thomas precession effect).

  2. Two-Stage MAS Technique for Analysis of DRA Elements and Arrays on Finite Ground Planes

    DEFF Research Database (Denmark)

    Larsen, Niels Vesterdal; Breinbjerg, Olav

    2007-01-01

    A two-stage Method of Auxiliary Sources (MAS) technique is proposed for analysis of dielectric resonator antenna (DRA) elements and arrays on finite ground planes (FGPs). The problem is solved by first analysing the DRA on an infinite ground plane (IGP) and then using this solution to model the FGP...

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    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

  6. Acceptance Test Report for the Modular Automation System (MAS) Manufactured by Honeywell Inc

    International Nuclear Information System (INIS)

    This document details the performance of the acceptance test of the Honeywell MAS Control System for equipment to be installed in gloveboxes HA-20MB and HA-211 at a later date. Equipment that was anticipated included 6 stabilization furnaces, only three and their associated equipment were installed

  7. Perencanaan Disain Deep Dig Arm pada Kapal Water Witch Untuk Pengerukan Sampah di Kali Mas Surabaya

    Directory of Open Access Journals (Sweden)

    Tony Bambang Musriyadi

    2014-03-01

    Full Text Available 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 penerukannya agar efektif dalam beroperasi.Dalam pembuatan Tugas Akhir ini akan di disain Boom dan Arm dari Backhoe dreger untuk pengerukan di Kali mas di Surabaya.Sesuai dengan Kebutuhan dan aspek pertimbangan ukuran kapal telah ditentukan disain Boom dengan panjang 4.6m dan arm 2.1m dengan kapasitas Bucket 0.56 m3 .Dengan pemilihan matrial   Carbon Stell Sheet (SS 1023 dan ketebalan plat 10  mm,metode yang digunakan untuk analisa pembebanan adalah stress analisis pada Program Solid work,dan sebagai pertimbangan kelayakan

  8. Spin-orbit coupling at surfaces and 2D materials.

    Science.gov (United States)

    Krasovskii, E E

    2015-12-16

    Spin-orbit interaction gives rise to a splitting of surface states via the Rashba effect, and in topological insulators it leads to the existence of topological surface states. The resulting k(//) momentum separation between states with the opposite spin underlies a wide range of new phenomena at surfaces and interfaces, such as spin transfer, spin accumulation, spin-to-charge current conversion, which are interesting for fundamental science and may become the basis for a breakthrough in the spintronic technology. The present review summarizes recent theoretical and experimental efforts to reveal the microscopic structure and mechanisms of spin-orbit driven phenomena with the focus on angle and spin-resolved photoemission and scanning tunneling microscopy. PMID:26580290

  9. Generation of bipartite spin entanglement via spin-independent scattering

    International Nuclear Information System (INIS)

    We consider the bipartite spin entanglement between two identical fermions generated in spin-independent scattering. We show how the spatial degrees of freedom act as ancillas for the creation of entanglement to a degree that depends on the scattering angle θ. The number of Slater determinants generated in the process is greater than 1, corresponding to genuine quantum correlations between the identical fermions. The maximal entanglement attainable of 1 ebit is reached at θ=π/2. We also analyze a simple θ-dependent Bell's inequality, which is violated for π/4<θ≤π/2. This phenomenon is unrelated to the symmetrization postulate but does not appear for unequal particles

  10. Relativistic Spin Operators

    Institute of Scientific and Technical Information of China (English)

    ZHANG Peng-Fei; RUAN Tu-Nan

    2001-01-01

    A systematic theory on the appropriate spin operators for the relativistic states is developed. For a massive relativistic particle with arbitrary nonzero spin, the spin operator should be replaced with the relativistic one, which is called in this paper as moving spin. Further the concept of moving spin is discussed in the quantum field theory. A new is constructed. It is shown that, in virtue of the two operators, problems in quantum field concerned spin can be neatly settled.

  11. Spin liquids in graphene

    OpenAIRE

    Tran, Minh-Tien; Kim, Ki-Seok

    2010-01-01

    We reveal that local interactions in graphene allow novel spin liquids between the semi-metal and antiferromagnetic Mott insulating phases, identified with algebraic spin liquid and Z$_{2}$ spin liquid, respectively. We argue that the algebraic spin liquid can be regarded as the two dimensional realization of one dimensional spin dynamics, where antiferromagnetic correlations show exactly the same power-law dependence as valence bond correlations. Nature of the Z$_{2}$ spin liquid turns out t...

  12. Cerebellopontine angle Hodgkin's disease

    International Nuclear Information System (INIS)

    Intracranial Hodgkin's disease is a rare site of involvement, and even more rare is its presentation as a cerebellopontine angle mass. It can be difficult to diagnose especially when recurrent tumors occur because both CT and lumbar puncture have been shown to have a relatively low yield. Gadolinium-enhanced MRI is more sensitive. It is concluded that while the imaging findings can be non-specific, the rapid response to therapy (steroids) may provide a clue to diagnosis. Copyright (1999) Blackwell Science Pty Ltd

  13. Critical angle laser refractometer

    International Nuclear Information System (INIS)

    A simple laser refractometer based on the detection of the critical angle for liquids is presented. The calibrated refractometer presents up to 0.000 11 of uncertainty when the refractive index is in the range between 1.300 00 and 1.340 00. The experimental setup is easy to construct and the material needed is available at most optics laboratories. The calibration method is simple and can be used in other devices. The refractive index measurements in aqueous solutions of sodium chloride were carried out to test the device and a linear dependence between the refractive index and the salt concentration was found

  14. Angular dependent study on spin transport in magnetic semiconductor heterostructures with Dresselhaus spin-orbit interaction

    Science.gov (United States)

    Mirzanian, S. M.; Shokri, A. A.; Mikaili Agah, K.; Elahi, S. M.

    2015-09-01

    We investigate theoretically the effects of Dresselhaus spin-orbit coupling (DSOC) on the spin-dependent current and shot noise through II-VI diluted magnetic semiconductor/nonmagnetic semiconductor (DMS/NMS) barrier structures. The calculation of transmission probability is based on an effective mass quantum-mechanical approach in the presence of an external magnetic field applied along the growth direction of the junction and also applied voltage. We also study the dependence of spin-dependent properties on external magnetic field and relative angle between the magnetizations of two DMS layers in CdTe/CdMnTe heterostructures by including the DSOC effect. The results show that the DSOC has great different influence on transport properties of electrons with spin up and spin down in the considered system and this aspect may be utilized in designing new spintronics devices.

  15. Large extrinsic spin Hall effect in Au-Cu alloys by extensive atomic disorder scattering

    Science.gov (United States)

    Zou, L. K.; Wang, S. H.; Zhang, Y.; Sun, J. R.; Cai, J. W.; Kang, S. S.

    2016-01-01

    Spin Hall angle, which denotes the conversion efficiency between spin and charge current, is a key parameter in the pure spin current phenomenon. The search for materials with large spin Hall angle is indeed important for scientific interest and potential application in spintronics. Here the large enhanced spin Hall effect (SHE) of Au-Cu alloy is reported by investigating the spin Seebeck effect, spin Hall anomalous Hall effect, and spin Hall magnetoresistance of the Y3F e5O12 (YIG)/A uxC u1 -x hybrid structure over the full composition. At the near equiatomic Au-Cu composition with maximum atomic disorder scattering, the spin Hall angle of the Au-Cu alloy increases by two to three times together with a moderate spin diffusion length in comparison with Au. The longitudinal spin Seebeck voltage and the spin Hall magnetoresistance ratio also increase by two to three times. More importantly, no evidence of anomalous Hall effect is observed in all YIG/Au-Cu samples, in contrast to the cases of other giant SHE materials Pt(Pd), Ta, and W. This behavior makes Au-Cu free from any suspicion of the magnetic proximity effect involved in the hybrid structure, and thus the Au-Cu alloy can be an ideal material for pure spin current study.

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

    Czech Academy of Sciences Publication Activity Database

    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

  17. Angle-dependent loop shifts in antiferromagnetic nanoparticles

    Science.gov (United States)

    Mao, Zhongquan; Zhan, Xiaozhi; Chen, Xi

    2016-08-01

    Experimentally hysteresis loop shifts have been widely observed in antiferromagnetic (AF) nanoparticles. Here numerical investigations show that this effect is dependent on the angle between the easy axis of the AF spins and the applied magnetic field in uncompensated nanoparticles. In contrast, the loop shifts disappear in compensated nanoparticles. The results suggest that the uncompensated spins and field directions are essential ingredients to generate loop shifts in AF nanoparticle systems. The present study hints at a possible way to optimize the magnetic performance of AF nanostructures.

  18. Variable angle correlation spectroscopy

    International Nuclear Information System (INIS)

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with 13C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system

  19. Variable angle correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y K [Univ. of California, Berkeley, CA (United States)

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with {sup 13}C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system.

  20. Spin vibronics in interacting nonmagnetic molecular nanojunctions

    Science.gov (United States)

    Weiss, S.; Brüggemann, J.; Thorwart, M.

    2015-07-01

    We show that in the presence of ferromagnetic electronic reservoirs and spin-dependent tunnel couplings, molecular vibrations in nonmagnetic single molecular transistors induce an effective intramolecular exchange magnetic field. It generates a finite spin accumulation and precession for the electrons confined on the molecular bridge and occurs under (non)equilibrium conditions. The effective exchange magnetic field is calculated here to lowest order in the tunnel coupling for a nonequilibrium transport setup. Coulomb interaction between electrons is taken into account as well as a finite electron-phonon coupling. We show that for realistic physical parameters, an effective spin-phonon coupling emerges. It is induced by quantum many-body interactions, which are either of electron-phonon or Coulomb type. We investigate the precession and accumulation of the confined spins as function of bias and gate voltages as well as their dependence on the angle enclosed by the magnetizations between the left and right reservoir.

  1. Spin supercurrents and torquing with Majorana fermions

    Science.gov (United States)

    Shtengel, Kirill; Kovalev, Alexey; de, Amrit

    2014-03-01

    We show that resonant coupling and entanglement between a mechanical resonator and majorana bound states can be achieved via spin supercurrents in a 1D quantum wire with strong spin-orbit interactions in the proximity of s-wave superconductor. The bound states induced by vibrating and stationary magnets can hybridize thus resulting in spin-current induced 4 π -periodic torque, as a function of the relative field angle, acting on the resonator. We propose a realization based on spin transistor like architecture in which a heterostructure nanowire consists of semiconductors with large and small g-factors in order to form the topological and non-topological regions. We also study the feasibility of detecting and manipulating majorana bound states with the use of magnetic resonance force microscopy techniques. U.S. Army Research Office under Grant No. W911NF-11-1-0027, NSF under Grant No. 1018935, DARPA-QuEST program, NSF under Grant DMR-0748925.

  2. 3He Spin Filter for Neutrons

    Science.gov (United States)

    Batz, M.; Baeßler, S.; Heil, W.; Otten, E. W.; Rudersdorf, D.; Schmiedeskamp, J.; Sobolev, Y.; Wolf, M.

    2005-01-01

    The strongly spin-dependent absorption of neutrons in nuclear spin-polarized 3He opens up the possibility of polarizing neutrons from reactors and spallation sources over the full kinematical range of cold, thermal and hot neutrons. This paper gives a report on the neutron spin filter (NSF) development program at Mainz. The polarization technique is based on direct optical pumping of metastable 3He atoms combined with a polarization preserving mechanical compression of the gas up to a pressure of several bar, necessary to run a NSF. The concept of a remote type of operation using detachable NSF cells is presented which requires long nuclear spin relaxation times of order 100 hours. A short survey of their use under experimental conditions, e.g. large solid-angle polarization analysis, is given. In neutron particle physics NSFs are used in precision measurements to test fundamental symmetry concepts.

  3. Angle performance on optima MDxt

    International Nuclear Information System (INIS)

    Angle control on medium current implanters is important due to the high angle-sensitivity of typical medium current implants, such as halo implants. On the Optima MDxt, beam-to-wafer angles are controlled in both the horizontal and vertical directions. In the horizontal direction, the beam angle is measured through six narrow slits, and any angle adjustment is made by electrostatically steering the beam, while cross-wafer beam parallelism is adjusted by changing the focus of the electrostatic parallelizing lens (P-lens). In the vertical direction, the beam angle is measured through a high aspect ratio mask, and any angle adjustment is made by slightly tilting the wafer platen prior to implant. A variety of tests were run to measure the accuracy and repeatability of Optima MDxt’s angle control. SIMS profiles of a high energy, channeling sensitive condition show both the cross-wafer angle uniformity, along with the small-angle resolution of the system. Angle repeatability was quantified by running a channeling sensitive implant as a regular monitor over a seven month period and measuring the sheet resistance-to-angle sensitivity. Even though crystal cut error was not controlled for in this case, when attributing all Rs variation to angle changes, the overall angle repeatability was measured as 0.16° (1σ). A separate angle repeatability test involved running a series of V-curves tests over a four month period using low crystal cut wafers selected from the same boule. The results of this test showed the angle repeatability to be <0.1° (1σ).

  4. Spin Transport in Mesoscopic Superconducting-Ferromagnetic Hybrid Conductor

    Directory of Open Access Journals (Sweden)

    Zein W. A.

    2008-01-01

    Full Text Available The spin polarization and the corresponding tunneling magnetoresistance (TMR for a hybrid ferromagnetic / superconductor junction are calculated. The results show that these parameters are strongly depends on the exchange field energy and the bias voltage. The dependence of the polarization on the angle of precession is due to the spin flip through tunneling process. Our results could be interpreted as due to spin imbalance of carriers resulting in suppression of gap energy of the superconductor. The present investigation is valuable for manufacturing magnetic recording devices and nonvolatile memories which imply a very high spin coherent transport for such junction.

  5. Large inverse spin Hall effect in the antiferromagnetic metal Ir20Mn80

    Science.gov (United States)

    Mendes, J. B. S.; Cunha, R. O.; Alves Santos, O.; Ribeiro, P. R. T.; Machado, F. L. A.; Rodríguez-Suárez, R. L.; Azevedo, A.; Rezende, S. M.

    2014-04-01

    A spin current is usually detected by converting it into a charge current through the inverse spin Hall effect (ISHE) in thin layers of a nonmagnetic metal with large spin-orbit coupling, such as Pt, Pd, and Ta. Here we demonstrate that Ir20Mn80, a high-temperature antiferromagnetic metal that is commonly employed in spin-valve devices, exhibits a large inverse spin Hall effect, as recently predicted theoretically. We present results of experiments in which the spin currents are generated either by microwave spin pumping or by the spin Seebeck effect in bilayers of singe-crystal yttrium iron garnet (YIG)/Ir20Mn80 and compare them with measurements in YIG/Pt bilayers. The results of both measurements are consistent, showing that Ir20Mn80 has a spin Hall angle similar to Pt, and that it is an efficient spin-current detector.

  6. Hyperspectral Microwave Atmospheric Sounder (HyMAS) architecture and design accommodations

    Science.gov (United States)

    Hilliard, L.; Racette, P.; Blackwell, W.; Galbraith, C.; Thompson, E.

    The Hyperspectral Microwave Atmospheric Sounder (HyMAS) is being developed at Lincoln Laboratories and accommodated by the Goddard Space Flight Center for a flight opportunity on a NASA research aircraft. The term “ hyperspectral microwave” is used to indicate an all-weather sounding that performs equivalent to hyperspectral infrared sounders in clear air with vertical resolution of approximately 1 km. Deploying the HyMAS equipped scanhead with the existing Conical Scanning Microwave Imaging Radiometer (CoSMIR) shortens the path to a flight demonstration. Hyperspectral microwave is achieved through the use of independent RF antennas that sample the volume of the Earth's atmosphere through various levels of frequencies, thereby producing a set of dense, spaced vertical weighting functions. The simulations proposed for HyMAS 118/183-GHz system should yield surface precipitation rate and water path retrievals for small hail, soft hail, or snow pellets, snow, rainwater, etc. with accuracies comparable to those of the Advanced Technology Microwave Sounder. Further improvements in retrieval methodology (for example, polarization exploitation) are expected. The CoSMIR instrument is a packaging concept re-used on HyMAS to ease the integration features of the scanhead. The HyMAS scanhead will include an ultra-compact Intermediate Frequency Processor (IFP) module that is mounted inside the door to improve thermal management. The IFP is fabricated with materials made of Low-Temperature Co-fired Ceramic (LTCC) technology integrated with detectors, amplifiers, A/D conversion and data aggregation. The IFP will put out 52 channels of 16 bit data comprised of 4 - 9 channel data streams for temperature profiles and 2-8 channel streams for water vapor. With the limited volume of the existing CoSMIR scanhead and new HyMAS front end components, the HyMAS team at Goddard began preliminary layout work inside the new drum. Importing and re-using models of the shell, the s- an head

  7. Hyperspectral Microwave Atmospheric Sounder (HyMAS) Architecture and Design Accommodations

    Science.gov (United States)

    Hilliard, Lawrence; Racette, Paul; Blackwell, William; Galbraith, Christopher; Thompson, Erik

    2013-01-01

    The Hyperspectral Microwave Atmospheric Sounder (HyMAS) is being developed at Lincoln Laboratories and accommodated by the Goddard Space Flight Center for a flight opportunity on a NASA research aircraft. The term "hyperspectral microwave" is used to indicate an all-weather sounding that performs equivalent to hyperspectral infrared sounders in clear air with vertical resolution of approximately 1 km. Deploying the HyMAS equipped scanhead with the existing Conical Scanning Microwave Imaging Radiometer (CoSMIR) shortens the path to a flight demonstration. Hyperspectral microwave is achieved through the use of independent RF antennas that sample the volume of the Earth s atmosphere through various levels of frequencies, thereby producing a set of dense, spaced vertical weighting functions. The simulations proposed for HyMAS 118/183-GHz system should yield surface precipitation rate and water path retrievals for small hail, soft hail, or snow pellets, snow, rainwater, etc. with accuracies comparable to those of the Advanced Technology Microwave Sounder. Further improvements in retrieval methodology (for example, polarization exploitation) are expected. The CoSMIR instrument is a packaging concept re-used on HyMAS to ease the integration features of the scanhead. The HyMAS scanhead will include an ultra-compact Intermediate Frequency Processor (IFP) module that is mounted inside the door to improve thermal management. The IFP is fabricated with materials made of Low-Temperature Co-fired Ceramic (LTCC) technology integrated with detectors, amplifiers, A/D conversion and data aggregation. The IFP will put out 52 channels of 16 bit data comprised of 4-9 channel data streams for temperature profiles and 2-8 channel streams for water vapor. With the limited volume of the existing CoSMIR scanhead and new HyMAS front end components, the HyMAS team at Goddard began preliminary layout work inside the new drum. Importing and re-using models of the shell, the scan head computer

  8. A novel BN–MAS system composite ceramics with greatly improved mechanical properties prepared by low temperature hot-pressing

    International Nuclear Information System (INIS)

    A novel composite ceramics with excellent mechanical properties was fabricated by means of low temperature hot-pressing using hexagonal boron nitride (h-BN) and magnesium aluminum silicate (MAS) as raw materials. The influences of starting MAS content on the microstructural evolution and mechanical properties of the composites were investigated. The results indicate that the effective enhancement of relative density of composites has been achieved, which shows that MAS is an effective liquid-phase sintering aid during the hot-pressing. MAS also can improve the structural ordering of h-BN flakes. On the other hand, h-BN exhibits significant inhibiting effect on the crystallization of α-Cordierite. Furthermore, h-BN flakes with layered structure can play a role in strengthening the MAS matrix. So h-BN and MAS are considered to be co-enhanced by each other, resulting in better sintering ability and the mechanical properties of composite ceramics are better than that of both h-BN and MAS. Composite ceramics incorporated with 50 wt% MAS exhibits the highest bending strength and fracture toughness of 213±25 MPa and 2.49±0.35 MPa m1/2, respectively

  9. Magnetic Nanostructures Spin Dynamics and Spin Transport

    CERN Document Server

    Farle, Michael

    2013-01-01

    Nanomagnetism and spintronics is a rapidly expanding and increasingly important field of research with many applications already on the market and many more to be expected in the near future. This field started in the mid-1980s with the discovery of the GMR effect, recently awarded with the Nobel prize to Albert Fert and Peter Grünberg. The present volume covers the most important and most timely aspects of magnetic heterostructures, including spin torque effects, spin injection, spin transport, spin fluctuations, proximity effects, and electrical control of spin valves. The chapters are written by internationally recognized experts in their respective fields and provide an overview of the latest status.

  10. Heterodyne Interferometer Angle Metrology

    Science.gov (United States)

    Hahn, Inseob; Weilert, Mark A.; Wang, Xu; Goullioud, Renaud

    2010-01-01

    A compact, high-resolution angle measurement instrument has been developed that is based on a heterodyne interferometer. The common-path heterodyne interferometer metrology is used to measure displacements of a reflective target surface. In the interferometer setup, an optical mask is used to sample the measurement laser beam reflecting back from a target surface. Angular rotations, around two orthogonal axes in a plane perpendicular to the measurement- beam propagation direction, are determined simultaneously from the relative displacement measurement of the target surface. The device is used in a tracking telescope system where pitch and yaw measurements of a flat mirror were simultaneously performed with a sensitivity of 0.1 nrad, per second, and a measuring range of 0.15 mrad at a working distance of an order of a meter. The nonlinearity of the device is also measured less than one percent over the measurement range.

  11. Reducing galvanomagnetic effects in spin pumping measurement with Co{sub 75}Fe{sub 25} as a spin injector

    Energy Technology Data Exchange (ETDEWEB)

    Haidar, S. M., E-mail: haidar@imr.tohoku.ac.jp; Iguchi, R.; Yagmur, A.; Lustikova, J. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Shiomi, Y. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Spin Quantum Rectification Project, ERATO, Japan Science and Technology Agency, Sendai 980-8577 (Japan); Saitoh, E. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Spin Quantum Rectification Project, ERATO, Japan Science and Technology Agency, Sendai 980-8577 (Japan); WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); CREST, Japan Science and Technology Agency, Tokyo 102-0076 (Japan); Advanced Science Research Center, Japan Atomic Energy Agency, Tokai 319-1195 (Japan)

    2015-05-14

    We have investigated dc voltage generation induced by ferromagnetic resonance in a Co{sub 75}Fe{sub 25}/Pt film. In order to reduce rectification effects of anisotropic magnetoresistance and the planar Hall effect, which may be observed simultaneously with the inverse spin Hall effect, we selected Co{sub 75}Fe{sub 25} with extremely small anisotropic magnetoresistance as a spin injector. Using the difference in the spectral shape of voltage and in the angle dependence of in-plane magnetization among the effects, we demonstrated that the generated dc voltage is governed by the inverse spin Hall effect induced by spin pumping.

  12. Scattering of a spin-1/2 particle off a spin-0 target in a simple three-dimensional basis

    CERN Document Server

    Fachruddin, Imam

    2012-01-01

    Scattering of a spin-1/2 particle off a spin-0 target is formulated based on a simple three-dimensional momentum-spin basis. The azimuthal behaviour of both the potential and the T-matrix elements leads to a set of integral equations for the T-matrix elements in two variables only, namely the momentum's magnitude and the scattering angle. Some symmetry relations for the potential and the T-matrix elements reduce the number of the integral equations to be solved by a factor of one half. A complete list of the spin observables in terms of the two-dimensional T-matrix elements is presented.

  13. Angiotensin-(1-7 attenuates disuse skeletal muscle atrophy in mice via its receptor, Mas

    Directory of Open Access Journals (Sweden)

    María Gabriela Morales

    2016-04-01

    Full Text Available Immobilization is a form of disuse characterized by a loss of strength and muscle mass. Among the main features are decreased IGF-1/Akt signalling and increased ubiquitin-proteasome pathway signalling, which induce greater myosin heavy chain degradation. Activation of the classical renin-angiotensin system (RAS causes deleterious effects in skeletal muscle, including muscle wasting. In contrast, angiotensin-(1-7 [Ang-(1-7], a peptide of the non-classical RAS, produces beneficial effects in skeletal muscle. However, the role of Ang-(1-7 in skeletal muscle disuse atrophy and independent of classical RAS activation has not been evaluated. Therefore, we assessed the functions of Ang-(1-7 and the Mas receptor in disuse muscle atrophy in vivo using unilateral cast immobilization of the hind limb in male, 12-week-old wild-type (WT and Mas-knockout (Mas KO mice for 1 and 14 days. Additionally, we evaluated the participation of IGF-1/IGFR-1/Akt signalling and ubiquitin-proteasome pathway expression on the effects of Ang-(1-7 immobilization-induced muscle atrophy. Our results found that Ang-(1-7 prevented decreased muscle strength and reduced myofiber diameter, myosin heavy chain levels, and the induction of atrogin-1 and MuRF-1 expressions, all of which normally occur during immobilization. Analyses indicated that Ang-(1-7 increases IGF-1/IGFR-1/Akt pathway signalling through IGFR-1 and Akt phosphorylation, and the concomitant activation of two downstream targets of Akt, p70S6K and FoxO3. These anti-atrophic effects of Ang-(1-7 were not observed in Mas KO mice, indicating crucial participation of the Mas receptor. This report is the first to propose anti-atrophic effects of Ang-(1-7 via the Mas receptor and the participation of the IGF-1/IGFR-1/Akt/p70S6K/FoxO3 mechanism in disuse skeletal muscle atrophy.

  14. Neutron spin manipulation devices using YBCO films

    International Nuclear Information System (INIS)

    The Meissner effect in a thin-film superconductor can be used to create a sharp boundary between regions of different magnetic field and hence can be used as a component of neutron spin manipulation devices. We have developed two cryogenic neutron spin manipulation devices using single-crystal, high-Tc, YBCO films, which can be cooled without using liquid cryogens and eliminate small angle scattering associated with polycrystalline films. The devices are a spin flipper and a spin precession device both of which use 350-nm-thick YBCO films covered with gold on a 0.5 mm thick sapphire substrate. The spin flipper consists of one such film mounted on an oxygen-free copper frame and connected to a closed-cycle He refrigerator. The flipper is capable of working with a maximum neutron beam size of 42 x 42 mm2 and can be used with both vertical and horizontal guide fields. The spin precession device was constructed by mounting two of the YBCO films parallel to one another with an H-magnet between them. By changing the current through the H – magnet, the precession of the neutron polarisation between the films can be controlled. Tests at the Low Energy Neutron Source (LENS) show that this device is capable of generating controlled spin precession for a neutron beam up to 20 x 20 mm2 in cross section.

  15. Selection of Parameters in Ball-Spinning

    Institute of Scientific and Technical Information of China (English)

    Maosheng LI; Yongnian YAN; Shihong ZHANG; Dachang KANG

    2004-01-01

    Nowadays, with the development of spinning processes, more and more systematic research about spinning parameters has been published. Based on these results, a routing about how to select spinning parameters has been gradually formed. However, ball spinning, due to its own features plus research lack, is still unclear about its parameter selections. In addition, some manufacture-enterprises only notice the use of this technique whereas ignore the theory creation. The optimal parameters about the ball spinning although have been released from these enterprises but in fact not a helpful theory for other researchers and producers. Focus on selecting the parameters based on the trial-and-error, this article has carried a series of experiments to study the influence on the spinning working course from those parameters, especially the peeling phenomena, and the tube diameter bulging. An optimal graph of the working angle, the axial feeding rate, and the acceptable working course is put forward. Additionally, based on the theory of the minimal reduction rate, the selection of the ball diameter is finally described. Thus, it has given the rules to get the proper parameters in ball spinning.

  16. Spin-Spin Coupling in Asteroidal Binaries

    Science.gov (United States)

    Batygin, Konstantin; Morbidelli, Alessandro

    2015-11-01

    Gravitationally bound binaries constitute a substantial fraction of the small body population of the solar system, and characterization of their rotational states is instrumental to understanding their formation and dynamical evolution. Unlike planets, numerous small bodies can maintain a perpetual aspheroidal shape, giving rise to a richer array of non-trivial gravitational dynamics. In this work, we explore the rotational evolution of triaxial satellites that orbit permanently deformed central objects, with specific emphasis on quadrupole-quadrupole interactions. Our analysis shows that in addition to conventional spin-orbit resonances, both prograde and retrograde spin-spin resonances naturally arise for closely orbiting, highly deformed bodies. Application of our results to the illustrative examples of (87) Sylvia and (216) Kleopatra multi-asteroid systems implies capture probabilities slightly below ~10% for leading-order spin-spin resonances. Cumulatively, our results suggest that spin-spin coupling may be consequential for highly elongated, tightly orbiting binary objects.

  17. Friedel's salt formation in sulfoaluminate cements: A combined XRD and {sup 27}Al MAS NMR study

    Energy Technology Data Exchange (ETDEWEB)

    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.

  18. RHIC SPIN FLIPPER

    Energy Technology Data Exchange (ETDEWEB)

    BAI,M.; ROSER, T.

    2007-06-25

    This paper proposes a new design of spin flipper for RHIC to obtain full spin flip with the spin tune staying at half integer. The traditional technique of using an rf dipole or solenoid as spin flipper to achieve full spin flip in the presence of full Siberian snake requires one to change the snake configuration to move the spin tune away from half integer. This is not practical for an operational high energy polarized proton collider like RHIC where beam lifetime is sensitive to small betatron tune change. The design of the new spin flipper as well as numerical simulations are presented.

  19. Research on MAS-Based Supply Chain Resilience and Its Self-Organized Criticality

    Directory of Open Access Journals (Sweden)

    Liang Geng

    2014-01-01

    Full Text Available Building resilient supply chain is an effective way to deal with uncertain risks. First, by analyzing the self-organization of supply chain, the supply chain resilience is described as a macroscopic property that generates from self-organizing behavior of each enterprise on the microlevel. Second, a MAS-based supply chain resilience model is established and its local fitness function, neighborhood structure, and interaction rules that are applicable to supply chain system are designed through viewing the enterprise as an agent. Finally, with the help of a case, we find that there is an agglomeration effect and a SOC characteristic in supply chain and the evolution of supply chain is controlled by parameters of MAS. Managers can control the supply chain within the resilient range and choose a good balance between interest and risk by controlling enterprises’ behavior.

  20. Bibliotēku sistēmas klientu portāls

    OpenAIRE

    Bērziņš, Edgars

    2016-01-01

    „Bibliotēkas sistēmas klientu portāls” ir tīmeklī bāzēts portāls, kurš nodrošina uzņēmuma „Bibliotēkas Informācijas sistēmas ALISE” klientiem ērtu un drošu informācijas iegūšanu un ir viegli administrējams portāls. Projekts ir izstrādāts pēc spējas (agile) izstrādes metodes. Portāla izstrādē ir izmantota tīmekļa lietojumprogrammu sistēma MVC, kura pamatā izmanto ASP.NET tīmekļa vietņu programmēšanas valodu.

  1. Decoherence dynamics of a single spin versus spin ensemble

    NARCIS (Netherlands)

    Dobrovitski, V.V.; Feiguin, A.E.; Awschalom, D.D.; Hanson, R.

    2008-01-01

    We study decoherence of central spins by a spin bath, focusing on the difference between measurement of a single central spin and measurement of a large number of central spins (as found in typical spin-resonance experiments). For a dilute spin bath, the single spin demonstrates Gaussian free-induct

  2. Spin projection chromatography

    OpenAIRE

    Danieli, Ernesto P.; Pastawski, Horacio M.; Levstein, Patricia R.

    2003-01-01

    We formulate the many-body spin dynamics at high temperature within the non-equilibrium Keldysh formalism. For the simplest XY interaction, analytical expressions in terms of the one particle solutions are obtained for linear and ring configurations. For small rings of even spin number, the group velocities of excitations depend on the parity of the total spin projection. This should enable a dynamical filtering of spin projections with a given parity i.e. a Spin projection chromatography.

  3. Sensing remote nuclear spins

    OpenAIRE

    Zhao, Nan; Honert, Jan; Schmid, Berhard; Isoya, Junichi; Markham, Mathew; Twitchen, Daniel; Jelezko, Fedor; Liu, Ren-Bao; Fedder, Helmut; Wrachtrup, Jörg

    2012-01-01

    Sensing single nuclear spins is a central challenge in magnetic resonance based imaging techniques. Although different methods and especially diamond defect based sensing and imaging techniques in principle have shown sufficient sensitivity, signals from single nuclear spins are usually too weak to be distinguished from background noise. Here, we present the detection and identification of remote single C-13 nuclear spins embedded in nuclear spin baths surrounding a single electron spins of a...

  4. Topological Spin Hall Effect

    OpenAIRE

    Yin, Gen; Liu, Yizhou; Barlas, Yafis; Zang, Jiadong; Lake, Roger K.

    2015-01-01

    The intrinsic spin Hall effect (SHE) originates from the topology of the Bloch bands in momentum space. The duality between real space and momentum space calls for a spin Hall effect induced from a real space topology in analogy to the topological Hall effect (THE) of skyrmions. We theoretically demonstrate the topological spin Hall effect (TSHE) in which a pure transverse spin current is generated from a skyrmion spin texture.

  5. Intrinsic Spin Hall Effect

    OpenAIRE

    Murakami, Shuichi

    2005-01-01

    A brief review is given on the spin Hall effect, where an external electric field induces a transverse spin current. It has been recognized over 30 years that such effect occurs due to impurities in the presence of spin-orbit coupling. Meanwhile, it was proposed recently that there is also an intrinsic contribution for this effect. We explain the mechanism for this intrinsic spin Hall effect. We also discuss recent experimental observations of the spin Hall effect.

  6. Spin projection chromatography

    Science.gov (United States)

    Danieli, E. P.; Pastawski, H. M.; Levstein, P. R.

    2004-01-01

    We formulate the many-body spin dynamics at high temperature within the non-equilibrium Keldysh formalism. For the simplest XY interaction, analytical expressions in terms of the one particle solutions are obtained for linear and ring configurations. For small rings of even spin number, the group velocities of excitations depend on the parity of the total spin projection. This should enable a dynamical filtering of spin projections with a given parity i.e., a spin projection chromatography.

  7. MAINTAINING THE EFFICIENCY OF MAS METHOD IN CEREALS WHILE REDUCING THE COSTS

    OpenAIRE

    Odile Moullet; Arnold Schori

    2014-01-01

    Marker-assisted selection (MAS) is a powerful tool too rarely exploited in practical breeding applications mainly because of its prohibitive costs. A new manual protocol has been developed for DNA extraction and polymerase chain reaction (PCR) analyses which could increase the impact of this technology on the creation of new varieties. In this procedure, only the amount of DNA serving as template is extracted directly into PCR tubes. The method is reproducible (100 %) and efficient (97.9 %). ...

  8. The Neuroprotective Effect of Cornus mas on Brain Tissue of Wistar Rats

    OpenAIRE

    Renata Francik; Jadwiga Kryczyk; Mirosław Krośniak; Mehmet Berköz; Ilona Sanocka; Sławomir Francik

    2014-01-01

    Cornelian cherry (Cornus mas) is a valuable source of phenolic antioxidants. Flavonoid derivatives as nonenzymatic antioxidants are important in the pathophysiology of many diseases including neurological disorders (e.g., Alzheimer’s disease) or heart disease. In this study, we examined the effect of an addition of freeze-dried fruit of cornelian cherry on three types of diets: control diet, fructose diet, and diet enriched in fats (high-fat diet). This effect was studied by determining the f...

  9. TANGGUNG JAWAB EKSPEDISI MUATAN KAPAL LAUT DALAM PENGIRIMAN BARANG MELALUI LAUT DI PELABUHAN TANJUNG MAS SEMARANG

    OpenAIRE

    PANDEIROTH, NOVRY NOLDY

    2015-01-01

    The title of this thesis is the, the responsibility of the expedition cargo marine through the ocean freight preformance in port Tanjung Mas Semarang. The problems of this study are : How is the responsibility of marine Cargo event of damage goods delivered and how the evidence and the process of compensation. This thesis is a type of empirical legal research,this approach is a focus of research conducted on the behavior of the legal community . Empirical legal research conducted through fiel...

  10. PENGEMBANGAN EKOWISATA BERBASIS KERAKYATAN DI BANJAR NYUH KUNING, DESA MAS, UBUD

    OpenAIRE

    AGUNG SRI SULISTYAWATI

    2015-01-01

    The objective of this study is (1) to identify the potential of Banjar Nyuh Kuning Mas Village, Ubud has to offer as means of attraction in ecotourism which may be accomplished by identifying physical and non physical potential. (2) to develope a community based strategy in ecotourism. The sampling technique used is purposive sampling and accidental sampling. Data collection is accomplished through observatioan, questionaire, focus group discussion and documentation. Data analysis is by quali...

  11. Entangled spins and ghost-spins

    CERN Document Server

    Jatkar, Dileep P

    2016-01-01

    We study patterns of quantum entanglement in systems of spins and ghost-spins regarding them as simple quantum mechanical toy models for theories containing negative norm states. We define a single ghost-spin as in arXiv:1602.06505 [hep-th] as a 2-state spin variable with an indefinite inner product in the state space. We find that whenever the spin sector is disentangled from the ghost-spin sector (both of which could be entangled within themselves), the reduced density matrix obtained by tracing over all the ghost-spins gives rise to positive entanglement entropy for positive norm states, while negative norm states have an entanglement entropy with a negative real part and a constant imaginary part. However when the spins are entangled with the ghost-spins, there are new entanglement patterns in general. For systems where the number of ghost-spins is even, it is possible to find subsectors of the Hilbert space where positive norm states always lead to positive entanglement entropy after tracing over the gho...

  12. Effective spin Hall properties of a mixture of materials with and without spin-orbit coupling: Tailoring the effective spin diffusion length

    Science.gov (United States)

    Yue, Z.; Prestgard, M. C.; Tiwari, A.; Raikh, M. E.

    2016-01-01

    We study theoretically the effective spin Hall properties of a composite consisting of two materials with and without spin-orbit (SO) coupling. In particular, we assume that SO material represents a system of grains in a matrix with no SO. We calculate the effective spin Hall angle and the effective spin diffusion length of the mixture. Our main qualitative finding is that, when the bare spin diffusion length is much smaller than the radius of the grain, the effective spin diffusion length is strongly enhanced, well beyond the "geometrical" factor. The physical origin of this additional enhancement is that, with small diffusion length, the spin current mostly flows around the grain without suffering much loss. We also demonstrate that the voltage, created by a spin current, is sensitive to a very weak magnetic field directed along the spin current, and even reverses sign in a certain domain of fields. The origin of this sensitivity is that the spin precession, caused by magnetic field, takes place outside the grains where SO is absent.

  13. Hybrid Spin Noise Spectroscopy and the Spin Hall Effect

    OpenAIRE

    Slipko, V. A.; Sinitsyn, N. A.; Pershin, Y. V.

    2013-01-01

    Here we suggest a novel hybrid spin noise spectroscopy technique, which is sensitive to the spin Hall effect. It is shown that, while the standard spin-spin correlation function is not sensitive to the spin Hall effect, spin-transverse voltage and transverse voltage-voltage correlation functions provide the missing sensitivity being linear and quadratic in the spin Hall coefficient, respectively. The correlation between transverse voltage and spin fluctuations appears as a result of spin-char...

  14. Detection of Ethambutol - resistant Mycobacterium tuberculosis strains by MAS-PCR method and comparison with Proportion

    Directory of Open Access Journals (Sweden)

    M. Asgharzadeh

    2007-01-01

    Full Text Available Abstract Background and purpose: Ethambutol (EMB is one of the first - line drugs used for anti-tubercular therapy but resistance to this medicine is developed in many parts of the world. EMB resistant strains commonly have embB mutations. Purpose of this research was detection of EMB-resistant Mycobactercium tuberculosis strains isolated from patients by MAS-PCR method and comparison with Proportion procedure.Materials and Methods: One hundred and twenty M. tuberculosis strains were isolated from patients with tulerculosis in Tabriz TB research center. Susceptibility testing to EMB was performed by the Proportion method. DNA was isolated from cultivated cells by SDS-proteinase K modified method. Isolated DNA was used as the template for PCR reaction.Results: One hundred and sixteen strains were susceptible to EMB and 4 (3.33% strains were resistant to EMB. All EMB resistant strains were multidrug-resistant. The MAS-PCR method was used to evaluate of mutation in the embB306 codon. Mutation was seen at the embB306 codon in all resistant strains to ethambutol.Conclusion: The results showed that MAS-PCR method can be used as a simple and rapid procedure for detecting EMB-resistance in Mycobacterium tuberculosis strains.

  15. Modeling Lyman-\\alpha\\ Forest Cross-Correlations with LyMAS

    CERN Document Server

    Lochhaas, Cassandra; Peirani, Sébastien; Dubois, Yohan; Colombi, Stéphane; Blaizot, Jérémy; Font-Ribera, Andreu; Pichon, Christophe; Devriendt, Julien

    2015-01-01

    We use the Ly-$\\alpha$ Mass Association Scheme (LyMAS; Peirani et al. 2014) to predict cross-correlations at z = 2.5 between dark matter halos and transmitted flux in the Ly-$\\alpha$ forest, and we compare these predictions to cross-correlations measured for quasars and damped Ly-$\\alpha$ systems (DLAs) from the Baryon Oscillation Spectroscopic Survey (BOSS) by Font-Ribera et al. (2012, 2013). We calibrate and test LyMAS using Horizon-AGN hydrodynamical cosmological simulations of a $(100\\ h^{-1}\\ \\rm{Mpc})^3$ comoving volume with and without AGN feedback. We apply this calibration to a $(1\\ h^{-1}\\ \\rm{Gpc})^3$ simulation realized with $2048^3$ dark matter particles for our primary predictions. In the $100\\ h^{-1}\\ \\rm{Mpc}$ box, LyMAS reproduces the halo-flux correlations computed from the full hydrodynamic gas distribution essentially perfectly. In the $1\\ h^{-1}\\ \\rm{Gpc}$ box, the amplitude of the cross-correlation tracks the halo bias as expected, and the correlation for a halo sample with a distributio...

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

    International Nuclear Information System (INIS)

    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

  17. Phenomenological SU(6) breaking of baryon wave functions and the chromodynamic spin-spin force

    International Nuclear Information System (INIS)

    A contradiction is found between two successful models of SU(6) breaking. A quark-model mixing scheme (56,0+) + (70,0+) for the baryon octet has been devised to explain the ratio F/sup e/n2(x)/F/sup e/p2(x) in the valence-quark region and explains naturally other departures from the usual SU(6) predictions. On the other hand, the gluon-exchange model of SU(6) breaking accounts satisfactorily for the hadron spectrum splittings. The spin-spin contribution from this chromodynamic force is indeed shown to generate a (56,0+) + (70,0+) mixing of the octet. However, it yields a wrong sign for the mixing angle, thus pointing to a contradiction between spin-spin forces of one-gluon-exchange type and the deep-inelastic structure functions in the valence-quark region. Other spin-spin potentials, giving the right sign for the mixing angle, are shown to be also in difficulty, because of the hyperfine structure of excited levels. Finally, a careful discussion is made of the subtle Σ-Λ effect in both approaches

  18. RHIC spin physics: Proceedings. Volume 7

    International Nuclear Information System (INIS)

    This proceedings compiles one-page summaries and five transparencies for each talk, with the intention that the speaker should include a web location for additional information in the summary. Also, email addresses are given with the participant list. The order follows the agenda: gluon, polarimetry, accelerator, W production and quark/antiquark polarization, parity violation searches, transversity, single transverse spin, small angle elastic scattering, and the final talk on ep collisions at RHIC. The authors begin the Proceedings with the full set of transparencies from Bob Jaffe's colloquium on spin, by popular request

  19. RHIC spin physics: Proceedings. Volume 7

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-01

    This proceedings compiles one-page summaries and five transparencies for each talk, with the intention that the speaker should include a web location for additional information in the summary. Also, email addresses are given with the participant list. The order follows the agenda: gluon, polarimetry, accelerator, W production and quark/antiquark polarization, parity violation searches, transversity, single transverse spin, small angle elastic scattering, and the final talk on ep collisions at RHIC. The authors begin the Proceedings with the full set of transparencies from Bob Jaffe`s colloquium on spin, by popular request.

  20. Spin and helicity of massive particles

    CERN Document Server

    Lee, Cheng-Yang

    2016-01-01

    It is a well-known fact that helicity is a Lorentz-invariant for massless but not for massive particles. Nevertheless, a satisfactory proof of this fact and a detailed analysis on the relative orientation between the spin and the momentum are not readily available. One such analysis was presented by Wigner where a formula for the angle between the spin and the momentum is derived for massive particle states undergoing two successive boosts in orthogonal directions. However, as we will show, this result is incorrect. Following a similar line of reasoning as presented by Wigner, a new formula is derived.

  1. Theory of spin Hall magnetoresistance (SMR) and related phenomena

    Science.gov (United States)

    Chen, Yan-Ting; Takahashi, Saburo; Nakayama, Hiroyasu; Althammer, Matthias; Goennenwein, Sebastian T. B.; Saitoh, Eiji; Bauer, Gerrit E. W.

    2016-03-01

    We review the so-called spin Hall magnetoresistance (SMR) in bilayers of a magnetic insulator and a metal, in which spin currents are generated in the normal metal by the spin Hall effect. The associated angular momentum transfer to the ferromagnetic layer and thereby the electrical resistance is modulated by the angle between the applied current and the magnetization direction. The SMR provides a convenient tool to non-invasively measure the magnetization direction and spin-transfer torque to an insulator. We introduce the minimal theoretical instruments to calculate the SMR, i.e. spin diffusion theory and quantum mechanical boundary conditions. This leads to a small set of parameters that can be fitted to experiments. We discuss the limitations of the theory as well as alternative mechanisms such as the ferromagnetic proximity effect and Rashba spin-orbit torques, and point out new developments.

  2. Direct current voltage generated in metallic layers by spin pumping

    Science.gov (United States)

    Vilela-Leão, L. H.; da Silva, G. L.; Salvador, C.; Rezende, S. M.; Azevedo, A.

    2011-04-01

    We report an investigation of the dc voltage generated in a normal-metal (NM) layer by spin pumping from an adjacent ferromagnetic (FM) layer under ferromagnetic resonance (FMR) excitation. The spin-current injected across the FM/NM interface by the spin pumping effect generates a charge current along the NM layer by means of the inverse spin Hall effect. Room temperature field scan measurements were made in a series of Ni81Fe19/Pt bilayers with several thicknesses of the FM and Pt layers. By varying the angle of the in-plane magnetization we are able to accurately separate the contributions arising from anisotropic magnetoresistance and from the spin-current pumped into the NM layer by the precessing magnetization of the FM layer. The data for the spin pumping dc voltage is in excellent agreement with a theory incorporating the full dependence on the thicknesses of the FM and NM layers.

  3. NHS-MAS3: a bifunctional chelator alternative to NHS-MAG3

    International Nuclear Information System (INIS)

    This laboratory uses an N-hydroxysuccinimide derivative of S-acetylmercaptoacetyltriglycine (NHS-MAG3) to conjugate amines for subsequent labeling with 99mTc. However, the synthesis from triglycerine is general and not restricted to this tripeptide. We had earlier selected a small number of alternative tripeptides and synthesized the corresponding NHS derivatives. Each was then evaluated in a search for bifunctional chelators with properties superior to NHS-MAG3, such as lower serum protein binding or improved stability to cysteine challenge. Based on these preliminary results, NHS-S-acetylmercaptoacetyltriserine (NHS-MAS3) was selected for further investigation. We have now conjugated this bifunctional chelator to biocytin and to an amine-derivatized peptide nucleic acid (PNA). Both carriers were also conjugated with NHS-MAG3 under identical conditions and all were labeled with 99mTc at neutral pH and at boiling temperature while the conjugated PNAs were radiolabelled at neutral pH and at room temperature. Regardless of the chelator, reverse phase HPLC radiochromatograms of the labeled biotins and PNAs after purification showed a single peak. However, by size exclusion HPLC, the radiochromatograms always showed several peaks even after purification, but the MAS3 radiochromatograms were less complicated. For biotin and PNA both, radiolabeling via MAS3 showed improved 99mTc stability in 37 deg. C serum and in cysteine solution. The four preparations were administered to mice implanted in one thigh with avidin beads (biotins) or complementary PNA beads (PNAs). At 5 h post-administration, no significant differences were observed in the targeting of PNA beads between the two chelators, however the target thigh/normal thigh ratio was significantly higher for MAS3-biotin compared to MAG3-biotin. We conclude that labeling biocytin and amine-derivatized PNA with NHS-MAS3 compared to NHS-MAG3 provides simpler radiochromatographic profiles, improved stability of the label in

  4. Noncommutativity due to spin

    CERN Document Server

    Gomes, M; da Silva, A J

    2010-01-01

    Using the Berezin-Marinov pseudoclassical formulation of spin particle we propose a classical model of spin noncommutativity. In the nonrelativistic case, the Poisson brackets between the coordinates are proportional to the spin angular momentum. The quantization of the model leads to the noncommutativity with mixed spacial and spin degrees of freedom. A modified Pauli equation, describing a spin half particle in an external e.m. field is obtained. We show that nonlocality caused by the spin noncommutativity depends on the spin of the particle; for spin zero, nonlocality does not appear, for spin half, $\\Delta x\\Delta y\\geq\\theta^{2}/2$, etc. In the relativistic case the noncommutative Dirac equation was derived. For that we introduce a new star product. The advantage of our model is that in spite of the presence of noncommutativity and nonlocality, it is Lorentz invariant. Also, in the quasiclassical approximation it gives noncommutativity with a nilpotent parameter.

  5. Noncommutativity due to spin

    Science.gov (United States)

    Gomes, M.; Kupriyanov, V. G.; da Silva, A. J.

    2010-04-01

    Using the Berezin-Marinov pseudoclassical formulation of the spin particle we propose a classical model of spin noncommutativity. In the nonrelativistic case, the Poisson brackets between the coordinates are proportional to the spin angular momentum. The quantization of the model leads to the noncommutativity with mixed spatial and spin degrees of freedom. A modified Pauli equation, describing a spin half particle in an external electromagnetic field is obtained. We show that nonlocality caused by the spin noncommutativity depends on the spin of the particle; for spin zero, nonlocality does not appear, for spin half, ΔxΔy≥θ2/2, etc. In the relativistic case the noncommutative Dirac equation was derived. For that we introduce a new star product. The advantage of our model is that in spite of the presence of noncommutativity and nonlocality, it is Lorentz invariant. Also, in the quasiclassical approximation it gives noncommutativity with a nilpotent parameter.

  6. Noncommutativity due to spin

    International Nuclear Information System (INIS)

    Using the Berezin-Marinov pseudoclassical formulation of the spin particle we propose a classical model of spin noncommutativity. In the nonrelativistic case, the Poisson brackets between the coordinates are proportional to the spin angular momentum. The quantization of the model leads to the noncommutativity with mixed spatial and spin degrees of freedom. A modified Pauli equation, describing a spin half particle in an external electromagnetic field is obtained. We show that nonlocality caused by the spin noncommutativity depends on the spin of the particle; for spin zero, nonlocality does not appear, for spin half, ΔxΔy≥θ2/2, etc. In the relativistic case the noncommutative Dirac equation was derived. For that we introduce a new star product. The advantage of our model is that in spite of the presence of noncommutativity and nonlocality, it is Lorentz invariant. Also, in the quasiclassical approximation it gives noncommutativity with a nilpotent parameter.

  7. Rashba-type spin splitting and spin interference of the Cu(1 1 1) surface state at room temperature

    International Nuclear Information System (INIS)

    We report on the measurement of the Rashba-type spin splitting of the Shockley surface state on Cu(1 1 1) by spin- and angle-resolved photoemission at room temperature. Along the spatial direction expected for a Rashba-type effect the measured spin splitting corresponds to what has previously been reported by first principle calculations which were verified by high resolution ARPES using low temperatures and perfect crystals. Furthermore it is found that structural defects cause a spin-interference in the photoemission process and as a result the main measured spin signal is in the plane orthogonal to the typical Rashba orientation. Although the determination of the exact origin of this signal requires further investigations, the main results can be used as a benchmark for future spin-resolved photoemission set-ups

  8. Small angle neutron scattering

    Directory of Open Access Journals (Sweden)

    Cousin Fabrice

    2015-01-01

    Full Text Available Small Angle Neutron Scattering (SANS is a technique that enables to probe the 3-D structure of materials on a typical size range lying from ∼ 1 nm up to ∼ a few 100 nm, the obtained information being statistically averaged on a sample whose volume is ∼ 1 cm3. This very rich technique enables to make a full structural characterization of a given object of nanometric dimensions (radius of gyration, shape, volume or mass, fractal dimension, specific area… through the determination of the form factor as well as the determination of the way objects are organized within in a continuous media, and therefore to describe interactions between them, through the determination of the structure factor. The specific properties of neutrons (possibility of tuning the scattering intensity by using the isotopic substitution, sensitivity to magnetism, negligible absorption, low energy of the incident neutrons make it particularly interesting in the fields of soft matter, biophysics, magnetic materials and metallurgy. In particular, the contrast variation methods allow to extract some informations that cannot be obtained by any other experimental techniques. This course is divided in two parts. The first one is devoted to the description of the principle of SANS: basics (formalism, coherent scattering/incoherent scattering, notion of elementary scatterer, form factor analysis (I(q→0, Guinier regime, intermediate regime, Porod regime, polydisperse system, structure factor analysis (2nd Virial coefficient, integral equations, characterization of aggregates, and contrast variation methods (how to create contrast in an homogeneous system, matching in ternary systems, extrapolation to zero concentration, Zero Averaged Contrast. It is illustrated by some representative examples. The second one describes the experimental aspects of SANS to guide user in its future experiments: description of SANS spectrometer, resolution of the spectrometer, optimization of

  9. Small angle neutron scattering

    International Nuclear Information System (INIS)

    Small Angle Neutron Scattering (SANS) is a technique that enables to probe the 3-D structure of materials on a typical size range lying from about 1 nm up to a few 100 nm, the obtained information being statistically averaged on a sample whose volume is ∼ 1 cm3. This very rich technique enables to make a full structural characterization of a given object of nano-metric dimensions (radius of gyration, shape, volume or mass, fractal dimension, specific area... ) through the determination of the form factor as well as the determination of the way objects are organized within in a continuous media, and therefore to describe interactions between them, through the determination of the structure factor. The specific properties of neutrons (possibility of tuning the scattering intensity by using the isotopic substitution, sensitivity to magnetism, negligible absorption, low energy of the incident neutrons) make it particularly interesting in the fields of soft matter, biophysics, magnetic materials and metallurgy. In particular, the contrast variation methods allow to extract some information that cannot be obtained by any other experimental techniques. This course is divided in two parts. The first one is devoted to the description of the principle of SANS: basics (formalism, coherent scattering/incoherent scattering, notion of elementary scatterer), form factor analysis (I(q→0), Guinier regime, intermediate regime, Porod regime, polydisperse system), structure factor analysis (2. Virial coefficient, integral equations, characterization of aggregates), and contrast variation methods (how to create contrast in an homogeneous system, matching in ternary systems, extrapolation to zero concentration, Zero Averaged Contrast). It is illustrated by some representative examples. The second one describes the experimental aspects of SANS to guide user in its future experiments: description of SANS spectrometer, resolution of the spectrometer, optimization of spectrometer

  10. OPTIMUM PROJECTION ANGLE FOR ATTAINING MAXIMUM DISTANCE IN A SOCCER PUNT KICK

    Directory of Open Access Journals (Sweden)

    Nicholas P. Linthorne

    2011-03-01

    Full Text Available To produce the greatest horizontal distance in a punt kick the ball must be projected at an appropriate angle. Here, we investigated the optimum projection angle that maximises the distance attained in a punt kick by a soccer goalkeeper. Two male players performed many maximum-effort kicks using projection angles of between 10° and 90°. The kicks were recorded by a video camera at 100 Hz and a 2 D biomechanical analysis was conducted to obtain measures of the projection velocity, projection angle, projection height, ball spin rate, and foot velocity at impact. The player's optimum projection angle was calculated by substituting mathematical equations for the relationships between the projection variables into the equations for the aerodynamic flight of a soccer ball. The calculated optimum projection angles were in agreement with the player's preferred projection angles (40° and 44°. In projectile sports even a small dependence of projection velocity on projection angle is sufficient to produce a substantial shift in the optimum projection angle away from 45°. In the punt kicks studied here, the optimum projection angle was close to 45° because the projection velocity of the ball remained almost constant across all projection angles. This result is in contrast to throwing and jumping for maximum distance, where the projection velocity the athlete is able to achieve decreases substantially with increasing projection angle and so the optimum projection angle is well below 45°.

  11. Spin conductivity in almost integrable spin chains

    OpenAIRE

    Jung, Peter; Rosch, Achim

    2007-01-01

    The spin conductivity in the integrable spin-1/2 XXZ-chain is known to be infinite at finite temperatures T for anisotropies -1 < Delta < 1. Perturbations which break integrability, e.g. a next-nearest neighbor coupling J', render the conductivity finite. We construct numerically a non-local conserved operator J_parallel which is responsible for the finite spin Drude weight of the integrable model and calculate its decay rate for small J'. This allows us to obtain a lower bound for the spin c...

  12. Diphotons, New Vacuum Angles, and Strong CP

    CERN Document Server

    Draper, Patrick

    2016-01-01

    The Standard Model contains a well-understood, natural, spin-0 diphoton resonance: the $\\pi^0$. Numerous studies have pointed out that the hint of a new diphoton resonance at 750 GeV could be a pion analog, identified with the pseudo-Nambu-Goldstone boson of a chiral symmetry spontaneously broken by new strong dynamics at the TeV scale. These "hypercolor" models are generically expected to violate parity through a topological angle $\\tilde\\theta$. We discuss the physics of $\\tilde\\theta$ and its impact on the phenomenology of the new sector. We also describe some of the theoretical implications of a nonzero $\\tilde\\theta$. In particular, $\\tilde\\theta$ can generate an ${\\cal O}(1)$ threshold correction to the QCD vacuum angle $\\theta$ near the TeV scale, sharply constraining ultraviolet solutions to the strong CP problem. Alternatively, finding that $\\tilde\\theta$ is small may be interpreted as evidence in favor of UV solutions to strong CP, particularly those based on spontaneously broken P or CP symmetries.

  13. Diphotons, new vacuum angles, and strong CP

    Science.gov (United States)

    Draper, Patrick; McKeen, David

    2016-04-01

    The Standard Model contains a well-understood, natural, spin-0 diphoton resonance: the π 0. Numerous studies have pointed out that the hint of a new diphoton resonance at 750 GeV could be a pion analog, identified with the pseudo-Nambu-Goldstone boson of a chiral symmetry spontaneously broken by new strong dynamics at the TeV scale. These "hypercolor" models are generically expected to violate parity through a topological angle tilde{θ} . We discuss the physics of tilde{θ} and its impact on the phenomenology of the new sector. We also describe some of the theoretical implications of a nonzero tilde{θ} . In particular, tilde{θ} can generate an O(1) threshold correction to the QCD vacuum angle θ near the TeV scale, sharply constraining ultraviolet solutions to the strong CP problem. Alternatively, finding that tilde{θ} is small may be interpreted as evidence in favor of UV solutions to strong CP, particularly those based on spontaneously broken P or CP symmetries.

  14. Accurate Angle Estimator for High-Frame-rate 2-D Vector Flow Imaging

    DEFF Research Database (Denmark)

    Villagómez Hoyos, Carlos Armando; Stuart, Matthias Bo; Lindskov Hansen, Kristoffer;

    2016-01-01

    This paper presents a novel approach for estimating 2-D flow angles using a high-frame-rate ultrasound method. The angle estimator features high accuracy and low standard deviation (SD) over the full 360° range. The method is validated on Field II simulations and phantom measurements using the...... experimental ultrasound scanner SARUS and a flow rig before being tested in vivo. An 8-MHz linear array transducer is used with defocused beam emissions. In the simulations of a spinning disk phantom, a 360° uniform behavior on the angle estimation is observed with a median angle bias of 1.01° and a median...

  15. Optimum projection angle for attaining maximum distance in a soccer punt kick.

    Science.gov (United States)

    Linthorne, Nicholas P; Patel, Dipesh S

    2011-01-01

    To produce the greatest horizontal distance in a punt kick the ball must be projected at an appropriate angle. Here, we investigated the optimum projection angle that maximises the distance attained in a punt kick by a soccer goalkeeper. Two male players performed many maximum-effort kicks using projection angles of between 10° and 90°. The kicks were recorded by a video camera at 100 Hz and a 2 D biomechanical analysis was conducted to obtain measures of the projection velocity, projection angle, projection height, ball spin rate, and foot velocity at impact. The player's optimum projection angle was calculated by substituting mathematical equations for the relationships between the projection variables into the equations for the aerodynamic flight of a soccer ball. The calculated optimum projection angles were in agreement with the player's preferred projection angles (40° and 44°). In projectile sports even a small dependence of projection velocity on projection angle is sufficient to produce a substantial shift in the optimum projection angle away from 45°. In the punt kicks studied here, the optimum projection angle was close to 45° because the projection velocity of the ball remained almost constant across all projection angles. This result is in contrast to throwing and jumping for maximum distance, where the projection velocity the athlete is able to achieve decreases substantially with increasing projection angle and so the optimum projection angle is well below 45°. Key pointsThe optimum projection angle that maximizes the distance of a punt kick by a soccer goalkeeper is about 45°.The optimum projection angle is close to 45° because the projection velocity of the ball is almost the same at all projection angles.This result is in contrast to throwing and jumping for maximum distance, where the optimum projection angle is well below 45° because the projection velocity the athlete is able to achieve decreases substantially with increasing

  16. Planar Hall effect based characterization of spin orbital torques in Ta/CoFeB/MgO structures

    Science.gov (United States)

    Jamali, Mahdi; Zhao, Zhengyang; DC, Mahendra; Zhang, Delin; Li, Hongshi; Smith, Angeline K.; Wang, Jian-Ping

    2016-04-01

    The spin orbital torques in Ta/CoFeB/MgO structures are experimentally investigated utilizing the planar Hall effect and magnetoresistance measurement. By angular field characterization of the planar Hall resistance at ±current, the differential resistance which is directly related to the spin orbital torques is derived. Upon curve fitting of the analytical formulas over the experimental results, it is found that the anti-damping torque, also known as spin Hall effect, is sizable while a negligible field-like torque is observed. A spin Hall angle of about 18 ± 0.6% is obtained for the Ta layer. Temperature dependent study of the spin orbital torques is also performed. It is found that temperature does not significantly modify the spin Hall angle. By cooling down the sample down to 100 K, the obtained spin Hall angle has a maximum value of about 20.5 ± 0.43%.

  17. Isolated pulsar spin evolution on the P-Pdot Diagram

    CERN Document Server

    Ridley, Joshua P

    2010-01-01

    We look at two contrasting spin-down models for isolated radio pulsars and, accounting for selection effects, synthesize observable populations. While our goal is to reproduce all of the observable characteristics, in this paper we pay particular attention to the form of the spin period vs. period derivative (P-Pdot) diagram and its dependence on various pulsar properties. We analyse the initial spin period, the braking index, the magnetic field, various beaming models, as well as the pulsar's luminosity. In addition to considering the standard magnetic dipole model for pulsar spin-down, we also consider the recent hybrid model proposed by Contopoulos & Spitkovsky. The magnetic dipole model, however, does a better job of reproducing the observed pulsar population. We conclude that random alignment angles and period dependent luminosity distributions are essential to reproduce the observed P-Pdot diagram. We also consider the time decay of alignment angles, and attempt to reconcile various models currently...

  18. A New Twist on Top Quark Spin Correlations

    CERN Document Server

    Baumgart, Matthew

    2012-01-01

    Top-antitop pairs produced at hadron colliders are largely unpolarized, but their spins are highly correlated. The structure of these correlations varies significantly over top production phase space, allowing very detailed tests of the Standard Model. Here, we explore top quark spin correlation measurement from a general perspective, highlighting the role of azimuthal decay angles. By taking differences and sums of these angles about the top-antitop production axis, the presence of spin correlations can be seen as sinusoidal modulations resulting from the interference of different helicity channels. At the LHC, these modulations exhibit nontrivial evolution from near-threshold production into the boosted regime, where they become sensitive to almost the entire QCD correlation effect for centrally produced tops. We demonstrate that this form of spin correlation measurement is very robust under full kinematic reconstruction, and should already be observable with high significance using the current LHC data set...

  19. Dynamic nuclear spin polarization

    International Nuclear Information System (INIS)

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

  20. Dynamic nuclear spin polarization

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-11-01

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

  1. Arbitrary Spin Galilean Oscillator

    CERN Document Server

    Hagen, C R

    2014-01-01

    The so-called Dirac oscillator was proposed as a modification of the free Dirac equation which reproduces many of the properties of the simple harmonic oscillator but accompanied by a strong spin-orbit coupling term. It has yet to be extended successfully to the arbitrary spin S case primarily because of the unwieldiness of general spin Lorentz invariant wave equations. It is shown here using the formalism of totally symmetric multispinors that the Dirac oscillator can, however, be made to accommodate spin by incorporating it into the framework of Galilean relativity. This is done explicitly for spin zero and spin one as special cases of the arbitrary spin result. For the general case it is shown that the coefficient of the spin-orbit term has a 1/S behavior by techniques which are virtually identical to those employed in the derivation of the g-factor carried out over four decades ago.

  2. Perfect inverse spin Hall effect and inverse Edelstein effect due to helical spin-momentum locking in topological surface states

    Science.gov (United States)

    Luo, Wei; Deng, W. Y.; Geng, Hao; Chen, M. N.; Shen, R.; Sheng, L.; Xing, D. Y.

    2016-03-01

    We present a theory for the inverse spin Hall effect in a thin film of topological insulator (TI) Bi2Se3 , connected to a reservoir with applied spin bias, in the ballistic regime. In the case that either the spin polarization of the spin bias is along the longitudinal direction, or the hybridization gap Δ of the surface states vanishes, the spin Hall angle Θsh tends to infinity, indicating that the spin bias is perfectly converted into a measurable transverse charge current, essentially without generating a longitudinal spin current in the TI. In other cases, with increasing the Fermi energy EF from the bottom of the conduction band of surface states, Θsh grows continuously from zero and exhibits an interesting linear dependence on EF/Δ for EF≫Δ . We also find that the inverse Edelstein effect occurs, when the in-plane transverse component of the spin polarization vector is nonzero. The spin-to-charge conversion becomes complete, when the spin polarization vector is along the transverse direction, or the hybridization gap Δ vanishes.

  3. Exposure (mAs) optimisation of a multi-detector CT protocol for hepatic lesion detection: are thinner slices better?

    International Nuclear Information System (INIS)

    The purpose of this work was to determine the exposure-optimised slice thickness for hepatic lesion detection with CT. A phantom containing spheres (diameter 9.5, 4.8 and 2.4mm) with CT density 10 HU below the background (50 HU) was scanned at 125, 100, 75 and 50 mAs. Data were reconstructed at 5-, 3- and 1-mm slice thicknesses. Noise, contrast-to-noise ratio (CNR), area under the curve (AUC) as calculated using receiver operating characteristic analysis and sensitivity representing lesion detection were calculated and compared. Compared with the 125 mAs/5mm slice thickness setting, significant reductions in AUC were found for 75 mAs (P<0.01) and 50 mAs (P<0.05) at 1- and 3-mm thicknesses, respectively; sensitivity for the 9.5-mm sphere was significantly reduced for 75 (P<0.05) and 50 mAs (P<0.01) at 1-mm thickness; sensitivity for the 4.8-mm sphere was significantly lower for 100, 75 and 50 mAs at all three slice thicknesses (P<0.05). The 2.4-mm sphere was rarely detected. At each slice thickness, noise at 100, 75 and 50 mAs exposures was approximately 10, 30 and 50% higher, respectively, than that at 125 mAs exposure. CNRs decreased in an irregular manner with reductions in exposure and slice thickness. This study demonstrated no advantage to using slices below 5mm thickness, and consequently thinner slices are not necessarily better.

  4. Pengaruh Inovasi Dan Jiwa Kewirausahaan Terhadap Keberhasilan Usaha (Studi Kasus: Pelaku UMKM Kuliner Chinatown Asia Mega Mas Medan)

    OpenAIRE

    Mawaddah, Nadia Inda

    2016-01-01

    This research was conducted to examine the effect of innovation and entrepreneurs Spirit to business success (Case Study: SMEs Of Kuliner Chinatown Asia Mega Mas Medan). The research was conducted on SMEs in the Asia Mega Mas with a total sample of 35 businesses. The sampling method used in this research was saturated sampling by using descriptive analysis method, statistical analysis method whis consist of double linear regression analysis, simultaneous significance test (F-test), partial si...

  5. Direct observation of a resolvable spin separation in the spin Hall effect of light at an air-glass interface

    International Nuclear Information System (INIS)

    We theoretically and experimentally demonstrate that it is possible to directly observe the resolvable spin separation in the spin Hall effect of light at an air-glass interface by choosing optimal parameters. When a P-polarized light with a beam waist of 10 μm is incident around Brewster's angle, the two spin components of the reflected beam can be completely separated by eliminating the influence of the in-plane wavevector spread. This not only obviously reveals the strong impacts of the polarization state, the incident angle, the beam waist, and the in-plane wavevector spread, but also intuitively visualizes the observation of the spin Hall effect of light

  6. A Beautiful Spin

    International Nuclear Information System (INIS)

    Spin is a beautiful concept that plays an ever important role in modern physics. In this talk, I start with a discussion of the origin of spin, and then turn to three themes in which spin has been crucial in subatomic physics: a lab to explore physics beyond the standard model, a tool to measure physical observables that are hard to obtain otherwise, a probe to unravel nonperturbative QCD. I conclude with some remarks on a world without spin

  7. Spin Hall Effect

    OpenAIRE

    Schliemann, John

    2006-01-01

    It is proposed that when a charge current circulates in a paramagnetic metal a transverse spin imbalance will be generated, giving rise to a 'spin Hall voltage'. Similarly, that when a spin current circulates a transverse charge imbalance will be generated, hence a Hall voltage, in the absence of charge current and magnetic field. Based on these principles we propose an experiment to generate and detect a spin current in a paramagnetic metal.

  8. The novel 10-item asthma prediction tool: external validation in the German MAS birth cohort.

    Directory of Open Access Journals (Sweden)

    Linus B Grabenhenrich

    Full Text Available A novel non-invasive asthma prediction tool from the Leicester Cohort, UK, forecasts asthma at age 8 years based on 10 predictors assessed in early childhood, including current respiratory symptoms, eczema, and parental history of asthma.We aimed to externally validate the proposed asthma prediction method in a German birth cohort.The MAS-90 study (Multicentre Allergy Study recorded details on allergic diseases prospectively in about yearly follow-up assessments up to age 20 years in a cohort of 1,314 children born 1990. We replicated the scoring method from the Leicester cohort and assessed prediction, performance and discrimination. The primary outcome was defined as the combination of parent-reported wheeze and asthma drugs (both in last 12 months at age 8. Sensitivity analyses assessed model performance for outcomes related to asthma up to age 20 years.For 140 children parents reported current wheeze or cough at age 3 years. Score distribution and frequencies of later asthma resembled the Leicester cohort: 9% vs. 16% (MAS-90 vs. Leicester of children at low risk at 3 years had asthma at 8 years, at medium risk 45% vs. 48%. Performance of the asthma prediction tool in the MAS-90 cohort was similar (Brier score 0.22 vs. 0.23 and discrimination slightly better than in the original cohort (area under the curve, AUC 0.83 vs. 0.78. Prediction and discrimination were robust against changes of inclusion criteria, scoring and outcome definitions. The secondary outcome 'physicians' diagnosed asthma at 20 years' showed the highest discrimination (AUC 0.89.The novel asthma prediction tool from the Leicester cohort, UK, performed well in another population, a German birth cohort, supporting its use and further development as a simple aid to predict asthma risk in clinical settings.

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

    Science.gov (United States)

    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.

  10. Design and implementation of a multi-axis precision movement machine based on MAS theory

    Institute of Scientific and Technical Information of China (English)

    Li MA; Linlin CI; Genyan GE

    2009-01-01

    A model construction of a multi-agent system (MAS) and the basic function of the agent are described.The precision control method using the multi-CPU of a programmable logic controller (PLC) is introduced,and a distributed method using multiple CPUs to control different motion machines is given.The test results indicate that in industrial control fields,the combination of using the credible PLC to control the motion machine and multi-CPU task distributing methods can solve multi-axis machine linkage and implication,providing a more credible method for multi-axis motion units.

  11. Characterization of cornelian cherry (Cornus mas L.) genotypes - genetic resources for food production in Czech Republic

    OpenAIRE

    Sochor Jiri; Jurikova Tunde; Ercisli Sezai; Mlcek Jiri; Baron Mojmir; Balla Stefan; Yilmaz Suzan Ozturk; Necas Thomas

    2014-01-01

    The aim of the study was to determine and compare both technological properties and polyphenol content in fruits of eight cornellian cherry (Cornus mas L.) cultivars from Czech Republic. The fruits of cultivar ´Vydubeckij´ had the highest dry matter (17.4%) and soluble solid (15.8%) content among searched cultivars. The highest crude protein and phosphorus values were determined in the fruits of the ´Titus´ cultivar as 10.9 g of crude protein and 435 mg of ...

  12. MAS Equipped with Ant Colony Applied into Dynamic Job Shop Scheduling

    Science.gov (United States)

    Kang, Kai; Zhang, Ren Feng; Yang, Yan Qing

    This paper presents a methodology adopting the new structure of MAS(multi-agent system) equipped with ACO(ant colony optimization) algorithm for a better schedule in dynamic job shop. In consideration of the dynamic events in the job shop arriving indefinitely schedules are generated based on tasks with ant colony algorithm. Meanwhile, the global objective is taken into account for the best solution in the actual manufacturing environment. The methodology is tested on a simulated job shop to determine the impact with the new structure.

  13. Production and characterization of a bacteriocin-like inhibitory substance produced by indigenous soil associated pseudomonas putida mas-1

    International Nuclear Information System (INIS)

    Bacteriocins have been the subject of extensive research globally due to wide range applications. The aim of this research was to investigate the production of bacteriocin(s) or bacteriocin like inhibitory substance(s) by Pseudomonas putida MAS-1 strain. The bacteriocin produced (Putidacin MAS-1) was found bioactive against clinical Staphylococcus aureus and Enterococcus faecalis strains. Bioactivity was observed by stab and overlay assay and multiwell antagonistic activity assay. Putidacin MAS-1 was sensitive beyond 70 degree C but stable at wide pH range (3 to 8). Bioactivity of putidacin MAS-1 was lost after treatment with trypsin and protease while partially lost after Proteinase K treatment. Treatment with ethanol, methanol, chloroform, acetone Tween 20 and Tween 80 showed partial decrease in bioactivity. SDS had stimulatory effect on putidacin MAS-1 bioactivity. EDTA however, showed no effect on the bacteriocin bioactivity. It was partially purified by ammonium sulphate precipitation. SDS-PAGE showed that Putidacin MAS-1 had 15 kDa molecular weight. (author)

  14. The Beauty of Spin

    OpenAIRE

    Meißner, Ulf-G.

    2010-01-01

    I review recent developments in theoretical spin physics. Topics include pion production in nucleon-nucleon collisions, the implications of heavy quark spin symmetry for heavy hadron molecules, the nucleon electric dipole form factors and ab initio calculations of the width of hadron resonances. A few spin physics high-lights from experiments at the COSY accelerator are also discussed.

  15. Nuclear spins of surfaces

    International Nuclear Information System (INIS)

    Nuclear spin polarized atomic probes (alkali atoms) can be used to investigate the microscopic properties of solid surfaces. NMR and relaxation studies are discussed for nuclear spin polarized alkali atoms chemisorbed on hot metal surfaces. The use of nuclear spin-polarized radioactive nuclei, which allows the extension of this method to cold surfaces, is mentioned briefly. (orig.)

  16. Spin-torque transistor

    NARCIS (Netherlands)

    Bauer, G.E.W.; Brataas, A.; Tserkovnyak, Y.; Van Wees, B.J.

    2003-01-01

    A magnetoelectronic thin-film transistor is proposed that can display negative differential resistance and gain. The working principle is the modulation of the soure–drain current in a spin valve by the magnetization of a third electrode, which is rotated by the spin-torque created by a control spin

  17. Spinning Eggs and Ballerinas

    Science.gov (United States)

    Cross, Rod

    2013-01-01

    Measurements are presented on the rise of a spinning egg. It was found that the spin, the angular momentum and the kinetic energy all decrease as the egg rises, unlike the case of a ballerina who can increase her spin and kinetic energy by reducing her moment of inertia. The observed effects can be explained, in part, in terms of rolling friction…

  18. Concepts in spin electronics

    CERN Document Server

    2006-01-01

    A new branch of physics and nanotechnology called spin electronics has emerged, which aims at simultaneously exploiting the charge and spin of electrons in the same device. The aim of this book is to present new directions in the development of spin electronics in both the basic physics and the future electronics.

  19. Isolated pulsar spin evolution on the diagram

    Science.gov (United States)

    Ridley, J. P.; Lorimer, D. R.

    2010-05-01

    We look at two contrasting spin-down models for isolated radio pulsars and, accounting for selection effects, synthesize observable populations. While our goal is to reproduce all of the observable characteristics, in this paper we pay particular attention to the form of the spin period versus period derivative () diagram and its dependence on various pulsar properties. We analyse the initial spin period, the braking index, the magnetic field, various beaming models as well as the pulsar's luminosity. In addition to considering the standard magnetic dipole model for pulsar spin-down, we also consider the recent hybrid model proposed by Contopoulos and Spitkovsky. The magnetic dipole model, however, does a better job of reproducing the observed pulsar population. We conclude that random alignment angles and period-dependent luminosity distributions are essential to reproduce the observed diagram. We also consider the time decay of alignment angles and attempt to reconcile various models currently being studied. We conclude that in order to account for recent evidence for the alignment found by Weltevrede and Johnston, the braking torque on a neutron star should not depend strongly on the inclination. Our simulation code is publicly available and includes a web-based interface to examine the results and make predictions for yields of current and future surveys.

  20. Ultrafast optical rotations of electron spins in an InGaAs/GaAs quantum dot ensemble

    International Nuclear Information System (INIS)

    We report on fast optical rotation operations on electron spins in a quantum dots ensemble. The spins are initialized in the z direction (quantum dot growth and light propagation direction). The spin vector oscillates about a transversal magnetic field B till a ultrafast 2π-''control'' laser pulse induces rotations of the spins about the z axis. The 2π-control pulse rotates the spin without generating a new spin polarization. The rotation angle is determined by the photon energy detuning of the control pulse from the optical resonance. For the first time for optically controlled spins, spin echoes and extension of the dephasing time were seen. By combining the rotation about the two axis a spin rotations about arbitrary axis has been realized. This robust optically controlled single spin rotation gate provides the basis for single-qubit logic operations.